A0A3Q0KP01_SCHMA Loading...

Presequence protease, mitochondrial

AlphaFold DB (A0A5K4ERU8), UniProt , Accession A0A3Q0KP01, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,012 aa.

						>A0A3Q0KP01_SCHMA|A0A3Q0KP01
MIGKVENLAANKLLHGFRLKRSFEVSELRLLAAELEHQKSGAKYLHLARDDPNKTFSVQLRTVPHDDSGVFHVLEHTVLCGSQKYPCRDPFMKMTHRSQATFMNALTASDWTMYPFSTMNDTDFQNLLKVYLDAVFRPKIEELDFMQEGWRLEPENLKDLTSNLVLKGVVFNEMKGVFSNSLNRFAQTIQNNLFPQTYGFVSAGSPERIPTLTYEYLKEFHNKYYHPSNSCFYTYGNVNLEQCLEYLDSEYLQHYNFSLENNSVPLECMWDKPRLVQLTCEPDPMNPHPDRECCVSLSFRLVDIYDVYKNFVLGIVCNLLLNGDNAPLYRGLIESGYGLDWIGRVNGIDRETRTTSFHVGVQGVRANDLENFPHIISDILSEVVRDGFPVESVEATLHQYELEIRHESARFGLNLILNLSNAVNHGVDLNEFLKIGANVDRFRQEWNTDPTILQSFVQQFFLDNKHKLITVMRPDPNWRSIEAKKDEENLDRLTKDITPLEREKLALKAHQLLEKQNQEEDVSCLPCLDIFDVPLECRPEPFTLTQTSDFPVQLNEAATNGLFYFHALADLKDLPYELLSYVPLFCSLFTRLGADGMSYSEMDQALELHTGGFVASPFVTPKIPSCLKTDFSSASRQIHLSSYCLESKIPNFFELWSKLFRSPDWSDQERLSTVIQMSAAGEWSANAISDSAHQFAMCRAAASLSSTLLTRELWSGMEQARIMQHIASEIGLKSDKRSDVLSNIIERMKAIWSYITSHRRLKFSLHGEADGLMSGLKHLDGFLNDLSQSPNVSTSLPIKDSQNPDVFPNISRNTFFAMPYTVHYAAKAIEAPSYDAEDYASYRVLAHLLSFKYLHREIREKGGAYGGGAIAKPEALLFYSYRDPYPLKTLSSFENAIKWASSREFQDQDIKEAKLSVFQALDYPVSAGSRGLTYFLNGISDDLRQSHRNQVFSVDASRIKNVAGKIVQKLSDTSDFHNVGHVVIGPDSSPDWIQDTSGQDSKNVWERVTMMV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.6	Low	55.4	Low	115 Å²	115	85.9 Å²	85.9	57%	0.567	48%	0.479	S	S	*	.				0	-51.2	0	-112.5	-176	-119.4	0	0	112.2	G3 K4 V5 N237	M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.47Å; M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 2.8Å; M1-V5 PolarHBondContact O-N 2.86Å; M1-N237 HydrophobicContact CE-CB 3.75Å; M1-N237 WeakPolarHBondContact CE-OD1 3.22Å
2	I	51	Low	56.9	Low	78 Å²	78	91.9 Å²	91.9	40%	0.4	50%	0.496	S	S	.	.	H	α-helix	trans	-43.7	-51.2	173.3	-63.8	172.8	0	0	0	111.5	K4 V5 E6 L31	I2-K4 VanDerWaalsContact C-N 3.28Å; I2-K4 PolarHBondContact O-N 3.23Å; I2-K4 VanDerWaalsContact O-N 3.15Å; I2-V5 PolarHBondContact O-N 3.5Å; I2-E6 HydrophobicContact CG2-CG 4.2Å; I2-E6 WeakPolarHBondContact O-CG 3.48Å; I2-E6 PolarHBondContact O-N 3.26Å; I2-L31 HydrophobicContact CG1-CB 4.36Å; I2-L31 HydrophobicContact CG2-CD2 4.11Å
3	G	50.7	Low	58.9	Low	31 Å²	31	92.2 Å²	92.2	32%	0.32	50%	0.496	S	S	.	.	H	α-helix	trans	-61.2	-23.7	176.8	0	0	0	0	0	116.2	M1 N7	M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.47Å; G3-N7 VanDerWaalsContact O-CB 3.23Å; G3-N7 WeakPolarHBondContact O-CB 3.49Å; G3-N7 PolarHBondContact O-N 2.95Å; G3-N7 VanDerWaalsContact O-N 3.14Å; G3-N7 PolarHBondContact O-ND2 2.81Å
4	K	55.6	Low	61.2	Low	157 Å²	157	87.9 Å²	87.9	68%	0.683	47%	0.473	S	S	*	.	H	α-helix	trans	-74.6	-38.2	174	-77.3	-169.3	175.5	-172.9	0	111.4	M1 I2 L8	M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 2.8Å; I2-K4 VanDerWaalsContact C-N 3.28Å; I2-K4 PolarHBondContact O-N 3.23Å; I2-K4 VanDerWaalsContact O-N 3.15Å; K4-L8 PolarHBondContact O-N 3.14Å
5	V	57.8	Low	63.4	Low	7 Å²	7	85.4 Å²	85.4	4%	0.042	46%	0.457	C	S	.	.	H	α-helix	trans	-74	-40.6	176.9	178.8	0	0	0	0	110.4	M1 I2 N7 L8 L31 A33 A48	M1-V5 PolarHBondContact O-N 2.86Å; I2-V5 PolarHBondContact O-N 3.5Å; V5-N7 VanDerWaalsContact C-N 3.25Å; V5-N7 PolarHBondContact O-N 3.11Å; V5-L8 HydrophobicContact CG1-CD1 4.3Å; V5-L8 VanDerWaalsContact O-CB 3.22Å; V5-L8 WeakPolarHBondContact O-CB 3.26Å; V5-L8 WeakPolarHBondContact O-CG 3.5Å; V5-L8 PolarHBondContact O-N 3.41Å; V5-L31 HydrophobicContact CB-CD2 3.53Å; V5-L31 HydrophobicContact CG1-CD2 3.48Å; V5-L31 VanDerWaalsContact CG1-CD2 3.48Å; V5-L31 HydrophobicContact CG1-CG 4.32Å; V5-L31 HydrophobicContact CG2-CD2 4.4Å; V5-A33 HydrophobicContact CG1-CB 3.73Å; V5-A48 HydrophobicContact CG2-CB 4.43Å
6	E	55.4	Low	65.3	Low	119 Å²	119	81.4 Å²	81.4	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-61.4	-33.4	173	-71.1	176.6	159.7	0	0	112.6	I2 L8 L31	I2-E6 HydrophobicContact CG2-CG 4.2Å; I2-E6 WeakPolarHBondContact O-CG 3.48Å; I2-E6 PolarHBondContact O-N 3.26Å; E6-L8 PolarHBondContact O-N 3.04Å; E6-L31 HydrophobicContact CG-CD2 4.26Å
7	N	55.7	Low	67.2	Low	136 Å²	136	76.6 Å²	76.6	73%	0.727	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-5	175.6	-80.6	-43.4	0	0	0	113.9	G3 V5 A9	G3-N7 VanDerWaalsContact O-CB 3.23Å; G3-N7 WeakPolarHBondContact O-CB 3.49Å; G3-N7 PolarHBondContact O-N 2.95Å; G3-N7 VanDerWaalsContact O-N 3.14Å; G3-N7 PolarHBondContact O-ND2 2.81Å; V5-N7 VanDerWaalsContact C-N 3.25Å; V5-N7 PolarHBondContact O-N 3.11Å; N7-A9 PolarHBondContact O-N 3.12Å
8	L	61.7	Low	68.7	Low	40 Å²	40	78.4 Å²	78.4	21%	0.209	42%	0.416	C	S	.	.	S	Bend	trans	-70.3	85.3	167.1	-62	171.8	0	0	0	107.8	K4 V5 E6 A10 L14 L19 L240	K4-L8 PolarHBondContact O-N 3.14Å; V5-L8 HydrophobicContact CG1-CD1 4.3Å; V5-L8 VanDerWaalsContact O-CB 3.22Å; V5-L8 WeakPolarHBondContact O-CB 3.26Å; V5-L8 WeakPolarHBondContact O-CG 3.5Å; V5-L8 PolarHBondContact O-N 3.41Å; E6-L8 PolarHBondContact O-N 3.04Å; L8-A10 PolarHBondContact O-N 2.95Å; L8-A10 VanDerWaalsContact O-N 3.12Å; L8-L14 HydrophobicContact CD2-CD2 3.66Å; L8-L19 HydrophobicContact CB-CD2 3.95Å; L8-L19 WeakPolarHBondContact O-CD2 3.3Å; L8-L240 HydrophobicContact CD1-CD2 4.3Å
9	A	55.9	Low	70.1	Confident	48 Å²	48	75.2 Å²	75.2	40%	0.397	40%	0.399	S	S	.	.			trans	-51.1	124.2	177.1	0	0	0	0	0	109.8	N7 N11 K12	N7-A9 PolarHBondContact O-N 3.12Å; A9-N11 PolarHBondContact O-N 3.05Å; A9-K12 HydrophobicContact CB-CD 4.43Å; A9-K12 HydrophobicContact CB-CG 4.38Å; A9-K12 PolarHBondContact O-N 2.92Å
10	A	56.7	Low	71.2	Confident	75 Å²	75	76.8 Å²	76.8	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	118.9	170.5	0	0	0	0	0	107.9	L8	L8-A10 PolarHBondContact O-N 2.95Å; L8-A10 VanDerWaalsContact O-N 3.12Å
11	N	58	Low	72.3	Confident	139 Å²	139	77 Å²	77	74%	0.743	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	-5.5	-174.8	-50.6	-42.8	0	0	0	118.7	A9	A9-N11 PolarHBondContact O-N 3.05Å
12	K	73.2	Confident	74.4	Confident	158 Å²	158	74 Å²	74	69%	0.687	39%	0.388	S	S	*	.			trans	-79	132	166	-76.9	-171.8	-179.7	-179.6	0	110.5	A9	A9-K12 HydrophobicContact CB-CD 4.43Å; A9-K12 HydrophobicContact CB-CG 4.38Å; A9-K12 PolarHBondContact O-N 2.92Å
13	L	83.6	Confident	76.5	Confident	96 Å²	96	71.2 Å²	71.2	50%	0.503	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.4	168.6	-94.1	170.6	0	0	0	108.9	G16 F17 Q38	L13-G16 VanDerWaalsContact CD2-C 3.48Å; L13-G16 WeakPolarHBondContact CD2-O 3.35Å; L13-F17 WeakPolarHBondContact CA-O 3.39Å; L13-F17 WeakPolarHBondContact CD2-O 3.45Å; L13-Q38 HydrophobicContact CD2-CG 3.71Å; L13-Q38 VanDerWaalsContact CG-NE2 3.33Å
14	L	90.3	Very high	78.6	Confident	31 Å²	31	75 Å²	75	16%	0.162	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107.3	173	-176.6	63.1	0	0	0	108.2	L8 G16 F17 E241 L244	L8-L14 HydrophobicContact CD2-CD2 3.66Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 3.23Å; L14-F17 PolarHBondContact N-O 2.93Å; L14-F17 WeakPolarHBondContact O-CB 3.45Å; L14-F17 PolarHBondContact O-N 3.31Å; L14-E241 HydrophobicContact CD1-CG 4.13Å; L14-L244 HydrophobicContact CD2-CD1 3.64Å; L14-L244 HydrophobicContact CG-CD1 4.07Å
15	H	94.3	Very high	80.5	Confident	51 Å²	51	67.5 Å²	67.5	24%	0.236	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	53	-178	-53.8	-71.7	0	0	0	112.7	F17 E241 L244 E245 D248	H15-F17 WeakPolarHBondContact O-CD2 3.45Å; H15-F17 PolarHBondContact O-N 2.61Å; H15-F17 VanDerWaalsContact O-N 3.1Å; H15-E241 WeakPolarHBondContact NE2-CG 3.41Å; H15-L244 HydrophobicContact CB-CB 4.26Å; H15-E245 HydrophobicContact CB-CB 4.46Å; H15-E245 IonicContact CE1-OE1 3.03Å; H15-E245 VanDerWaalsContact CG-CA 3.45Å; H15-D248 HydrophobicContact CB-CB 4.02Å; H15-D248 WeakPolarHBondContact O-CB 3.44Å
16	G	94.9	Very high	82	Confident	22 Å²	22	70.8 Å²	70.8	23%	0.227	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-12.9	-178.1	0	0	0	0	0	116	L13 L14 H37 Q38	L13-G16 VanDerWaalsContact CD2-C 3.48Å; L13-G16 WeakPolarHBondContact CD2-O 3.35Å; L14-G16 VanDerWaalsContact C-N 3.32Å; L14-G16 PolarHBondContact O-N 3.23Å; G16-H37 VanDerWaalsContact C-CD2 3.44Å; G16-H37 PolarHBondContact O-CD2 3.32Å; G16-Q38 PolarHBondContact O-N 3.23Å
17	F	96.1	Very high	83.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.9	178	-67.2	-96.1	0	0	0	113.1	L13 L14 H15 L35 E36 H37 Y44 L244 L247 L252	L13-F17 WeakPolarHBondContact CA-O 3.39Å; L13-F17 WeakPolarHBondContact CD2-O 3.45Å; L14-F17 PolarHBondContact N-O 2.93Å; L14-F17 WeakPolarHBondContact O-CB 3.45Å; L14-F17 PolarHBondContact O-N 3.31Å; H15-F17 WeakPolarHBondContact O-CD2 3.45Å; H15-F17 PolarHBondContact O-N 2.61Å; H15-F17 VanDerWaalsContact O-N 3.1Å; F17-L35 HydrophobicContact CB-CB 4.25Å; F17-L35 HydrophobicContact CB-CD2 4.17Å; F17-L35 HydrophobicContact CD1-CB 4.14Å; F17-E36 WeakPolarHBondContact CA-O 3.41Å; F17-H37 HydrophobicContact CD1-CB 3.82Å; F17-H37 HydrophobicContact CE1-CB 3.66Å; F17-H37 HydrophobicContact CG-CB 4.36Å; F17-H37 HydrophobicContact CZ-CB 4.06Å; F17-Y44 HydrophobicContact CE1-CD2 4.14Å; F17-Y44 HydrophobicContact CE1-CG 4.45Å; F17-Y44 HydrophobicContact CZ-CD2 4.32Å; F17-L244 HydrophobicContact CB-CD1 4.43Å; F17-L244 HydrophobicContact CD1-CD2 4.2Å; F17-L244 HydrophobicContact CD2-CB 3.9Å; F17-L244 HydrophobicContact CD2-CD1 4.39Å; F17-L244 HydrophobicContact CD2-CD2 3.73Å; F17-L244 HydrophobicContact CD2-CG 4.19Å; F17-L244 HydrophobicContact CE1-CD2 4.16Å; F17-L244 HydrophobicContact CE2-CB 4.05Å; F17-L244 HydrophobicContact CE2-CD2 3.72Å; F17-L244 HydrophobicContact CE2-CG 4.42Å; F17-L244 HydrophobicContact CG-CD2 3.97Å; F17-L244 HydrophobicContact CZ-CD2 3.9Å; F17-L247 HydrophobicContact CE2-CB 4.41Å; F17-L247 HydrophobicContact CZ-CB 4.39Å; F17-L247 HydrophobicContact CZ-CD1 4.41Å; F17-L252 HydrophobicContact CE1-CD1 4.07Å; F17-L252 HydrophobicContact CE2-CD1 3.9Å; F17-L252 HydrophobicContact CZ-CD1 3.26Å
18	R	95.1	Very high	85.1	Confident	108 Å²	108	62 Å²	62	41%	0.408	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.2	168.1	-175	-174.7	-60	177.1	5.5	109	K20 L35 E36 Q38	R18-K20 PolarHBondContact O-N 2.73Å; R18-L35 VanDerWaalsContact O-CA 3.29Å; R18-L35 WeakPolarHBondContact O-CA 3.29Å; R18-E36 PolarHBondContact N-O 3.3Å; R18-E36 PolarHBondContact O-N 2.69Å; R18-Q38 HydrophobicContact CB-CG 4.38Å; R18-Q38 VanDerWaalsContact NE-NE2 3.18Å
19	L	94.8	Very high	86.4	Confident	18 Å²	18	66 Å²	66	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	118.8	166.1	-178.3	68.1	0	0	0	109.2	L8 R21 A33 L35	L8-L19 HydrophobicContact CB-CD2 3.95Å; L8-L19 WeakPolarHBondContact O-CD2 3.3Å; L19-R21 WeakPolarHBondContact CD1-O 3.25Å; L19-A33 HydrophobicContact CD1-CB 3.84Å; L19-L35 HydrophobicContact CD1-CD2 4.5Å; L19-L35 HydrophobicContact CD1-CG 4.11Å
20	K	93.4	Very high	88.2	Confident	106 Å²	106	63.8 Å²	63.8	46%	0.461	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-48.8	176.4	-68.3	-73.6	-174.1	156.8	0	110.8	R18 E34 E36	R18-K20 PolarHBondContact O-N 2.73Å; K20-E34 WeakPolarHBondContact CB-O 3.41Å; K20-E34 PolarHBondContact N-O 3.16Å; K20-E36 HydrophobicContact CD-CB 4.49Å; K20-E36 WeakPolarHBondContact CE-OE2 3.19Å; K20-E36 HydrophobicContact CG-CB 4.23Å; K20-E36 VanDerWaalsContact NZ-CD 3.25Å; K20-E36 IonicContact NZ-OE1 2.86Å; K20-E36 PolarHBondContact NZ-OE1 3.01Å; K20-E36 IonicContact NZ-OE2 3.51Å; K20-E36 PolarHBondContact NZ-OE2 3.19Å
21	R	93.5	Very high	90.1	Very high	82 Å²	82	60.5 Å²	60.5	31%	0.309	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	158.5	176.4	60.3	-178.5	-179.3	164.2	9.9	110.4	L19 E34 D428	L19-R21 WeakPolarHBondContact CD1-O 3.25Å; R21-E34 HydrophobicContact CG-CB 4.14Å; R21-E34 HydrophobicContact CG-CG 4.43Å; R21-E34 IonicContact CZ-OE1 3.34Å; R21-E34 IonicContact CZ-OE2 2.73Å; R21-E34 PolarHBondContact N-O 3.29Å; R21-E34 IonicContact NE-OE1 2.72Å; R21-E34 PolarHBondContact NE-OE1 3.34Å; R21-E34 IonicContact NE-OE2 2.76Å; R21-E34 PolarHBondContact NE-OE2 2.97Å; R21-E34 IonicContact NH2-OE1 2.66Å; R21-E34 PolarHBondContact NH2-OE1 3.23Å; R21-E34 IonicContact NH2-OE2 3.69Å; R21-E34 PolarHBondContact NH2-OE2 2.9Å; R21-E34 PolarHBondContact O-N 2.8Å; R21-D428 IonicContact CZ-OD1 3.01Å; R21-D428 IonicContact NH1-OD1 3.99Å; R21-D428 PolarHBondContact NH1-OD1 3.02Å; R21-D428 IonicContact NH1-OD2 3.65Å; R21-D428 PolarHBondContact NH1-OD2 2.94Å; R21-D428 IonicContact NH2-OD1 3.01Å; R21-D428 PolarHBondContact NH2-OD1 3.35Å
22	S	94.4	Very high	91.9	Very high	53 Å²	53	53.9 Å²	53.9	37%	0.371	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	150.1	165.3	55.2	0	0	0	0	109.1	A32	S22-A32 CarbonylContact C-O 3.57Å; S22-A32 WeakPolarHBondContact CA-O 3.31Å; S22-A32 WeakPolarHBondContact CB-O 3.5Å
23	F	95.5	Very high	93	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.2	178.6	55.1	-90.2	0	0	0	110.3	V25 A32 L429 N430 L433	F23-V25 HydrophobicContact CD2-CG2 3.83Å; F23-V25 HydrophobicContact CE2-CG2 3.8Å; F23-A32 HydrophobicContact CD1-CB 4.24Å; F23-A32 HydrophobicContact CD2-CB 3.87Å; F23-A32 HydrophobicContact CE1-CB 3.83Å; F23-A32 HydrophobicContact CE2-CB 3.42Å; F23-A32 VanDerWaalsContact CE2-CB 3.42Å; F23-A32 HydrophobicContact CG-CB 4.25Å; F23-A32 HydrophobicContact CZ-CB 3.41Å; F23-A32 VanDerWaalsContact CZ-CB 3.41Å; F23-A32 PolarHBondContact N-O 3.05Å; F23-A32 PolarHBondContact O-N 2.76Å; F23-L429 HydrophobicContact CZ-CB 4.17Å; F23-N430 HydrophobicContact CD1-CB 3.85Å; F23-N430 HydrophobicContact CD2-CB 3.84Å; F23-N430 VanDerWaalsContact CD2-OD1 3.3Å; F23-N430 WeakPolarHBondContact CD2-OD1 3.36Å; F23-N430 HydrophobicContact CE1-CB 3.83Å; F23-N430 VanDerWaalsContact CE2-CA 3.47Å; F23-N430 HydrophobicContact CE2-CB 3.82Å; F23-N430 HydrophobicContact CG-CB 3.86Å; F23-N430 WeakPolarHBondContact CG-OD1 3.28Å; F23-N430 HydrophobicContact CZ-CB 3.82Å; F23-L433 HydrophobicContact CE2-CD1 4.05Å; F23-L433 HydrophobicContact CZ-CD1 4.3Å
24	E	95.4	Very high	93.6	Very high	109 Å²	109	43.6 Å²	43.6	51%	0.509	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141	175.6	-165.4	-172.9	153.7	0	0	110.5	S26 L31 K434	E24-S26 VanDerWaalsContact CD-OG 3.26Å; E24-S26 PolarHBondContact OE1-OG 2.87Å; E24-L31 HydrophobicContact CB-CD1 4.4Å; E24-K434 WeakPolarHBondContact O-CE 3.03Å; E24-K434 PolarHBondContact O-NZ 3.34Å
25	V	93.9	Very high	93.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	81.8	169.7	-170.9	0	0	0	0	107.1	F23 E27 L28 R29 L30 L433 K434	F23-V25 HydrophobicContact CD2-CG2 3.83Å; F23-V25 HydrophobicContact CE2-CG2 3.8Å; V25-E27 VanDerWaalsContact C-N 3.28Å; V25-E27 HydrophobicContact CG1-CG 3.96Å; V25-E27 PolarHBondContact O-N 3.48Å; V25-L28 HydrophobicContact CG1-CB 4.01Å; V25-L28 HydrophobicContact CG1-CD1 3.93Å; V25-L28 HydrophobicContact CG1-CG 3.81Å; V25-L28 CarbonylContact O-C 3.13Å; V25-L28 PolarHBondContact O-N 3Å; V25-L28 VanDerWaalsContact O-N 3.09Å; V25-R29 PolarHBondContact O-N 3.5Å; V25-R29 VanDerWaalsContact O-N 3.09Å; V25-L30 HydrophobicContact CB-CD1 3.76Å; V25-L30 HydrophobicContact CB-CG 4.11Å; V25-L30 HydrophobicContact CG2-CD1 3.81Å; V25-L30 PolarHBondContact N-O 3.24Å; V25-L30 PolarHBondContact O-N 3.32Å; V25-L433 HydrophobicContact CG1-CB 4.26Å; V25-L433 WeakPolarHBondContact CG1-O 3.43Å; V25-L433 HydrophobicContact CG2-CB 3.96Å; V25-L433 HydrophobicContact CG2-CD1 4.37Å; V25-K434 HydrophobicContact CG1-CG 4.48Å
26	S	90.1	Very high	94	Very high	75 Å²	75	43.3 Å²	43.3	52%	0.524	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.7	-35	-170.2	-49.1	0	0	0	0	112.9	E24 L28 R29	E24-S26 VanDerWaalsContact CD-OG 3.26Å; E24-S26 PolarHBondContact OE1-OG 2.87Å; S26-L28 PolarHBondContact O-N 2.86Å; S26-R29 PolarHBondContact O-N 3.3Å
27	E	86.8	Confident	94.1	Very high	56 Å²	56	42.4 Å²	42.4	26%	0.262	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-63.1	-28.2	177	65.7	-168.6	-155	0	0	113.3	V25 I404 I435 G436	V25-E27 VanDerWaalsContact C-N 3.28Å; V25-E27 HydrophobicContact CG1-CG 3.96Å; V25-E27 PolarHBondContact O-N 3.48Å; E27-I404 HydrophobicContact CB-CG2 3.8Å; E27-I404 HydrophobicContact CG-CG2 4.07Å; E27-I435 PolarHBondContact OE1-N 2.86Å; E27-G436 PolarHBondContact OE1-N 3.33Å; E27-G436 VanDerWaalsContact OE2-CA 3.26Å; E27-G436 WeakPolarHBondContact OE2-CA 3.46Å; E27-G436 PolarHBondContact OE2-N 3.25Å
28	L	89.5	Confident	94.1	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.079	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-100.3	4.9	173.7	-55.6	-176.1	0	0	0	112.7	V25 S26 L30 I404 F411 L415 L433	V25-L28 HydrophobicContact CG1-CB 4.01Å; V25-L28 HydrophobicContact CG1-CD1 3.93Å; V25-L28 HydrophobicContact CG1-CG 3.81Å; V25-L28 CarbonylContact O-C 3.13Å; V25-L28 PolarHBondContact O-N 3Å; V25-L28 VanDerWaalsContact O-N 3.09Å; S26-L28 PolarHBondContact O-N 2.86Å; L28-L30 HydrophobicContact CB-CD2 3.61Å; L28-L30 HydrophobicContact CB-CG 3.87Å; L28-L30 HydrophobicContact CD1-CD2 4.1Å; L28-L30 PolarHBondContact O-N 3.49Å; L28-I404 HydrophobicContact CD2-CG2 4.39Å; L28-F411 HydrophobicContact CB-CZ 4.32Å; L28-F411 HydrophobicContact CD2-CZ 4.14Å; L28-L415 HydrophobicContact CD1-CD2 4.29Å; L28-L433 HydrophobicContact CD1-CD2 4.1Å
29	R	89.7	Confident	94.2	Very high	123 Å²	123	46.1 Å²	46.1	46%	0.464	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	42.1	-179.1	-55	-173.8	-66.9	162.6	3.4	113	V25 S26 E407	V25-R29 PolarHBondContact O-N 3.5Å; V25-R29 VanDerWaalsContact O-N 3.09Å; S26-R29 PolarHBondContact O-N 3.3Å; R29-E407 IonicContact CZ-OE1 3.78Å; R29-E407 VanDerWaalsContact CZ-OE1 3.32Å; R29-E407 IonicContact NE-OE1 2.72Å; R29-E407 PolarHBondContact NE-OE1 2.97Å; R29-E407 IonicContact NH2-OE1 2.71Å; R29-E407 PolarHBondContact NH2-OE1 3.1Å; R29-E407 IonicContact NH2-OE2 2.78Å; R29-E407 PolarHBondContact NH2-OE2 3Å
30	L	93.3	Very high	94.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.1	-176.7	68.2	81.1	0	0	0	113.1	V25 L28 A32 L47 A48 R49 F411 L415	V25-L30 HydrophobicContact CB-CD1 3.76Å; V25-L30 HydrophobicContact CB-CG 4.11Å; V25-L30 HydrophobicContact CG2-CD1 3.81Å; V25-L30 PolarHBondContact N-O 3.24Å; V25-L30 PolarHBondContact O-N 3.32Å; L28-L30 HydrophobicContact CB-CD2 3.61Å; L28-L30 HydrophobicContact CB-CG 3.87Å; L28-L30 HydrophobicContact CD1-CD2 4.1Å; L28-L30 PolarHBondContact O-N 3.49Å; L30-A32 HydrophobicContact CD1-CB 4.42Å; L30-L47 HydrophobicContact CD1-CD2 4.18Å; L30-L47 HydrophobicContact CD2-CD1 4.46Å; L30-A48 VanDerWaalsContact CA-O 3.25Å; L30-A48 WeakPolarHBondContact CA-O 3.23Å; L30-A48 WeakPolarHBondContact CB-O 3.39Å; L30-R49 HydrophobicContact CB-CB 4.1Å; L30-F411 HydrophobicContact CD2-CE1 4.47Å; L30-L415 HydrophobicContact CD2-CD1 4Å
31	L	96	Very high	94.4	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.2	169.4	178.6	76.3	0	0	0	108.9	I2 V5 E6 E24 A48	I2-L31 HydrophobicContact CG1-CB 4.36Å; I2-L31 HydrophobicContact CG2-CD2 4.11Å; V5-L31 HydrophobicContact CB-CD2 3.53Å; V5-L31 HydrophobicContact CG1-CD2 3.48Å; V5-L31 VanDerWaalsContact CG1-CD2 3.48Å; V5-L31 HydrophobicContact CG1-CG 4.32Å; V5-L31 HydrophobicContact CG2-CD2 4.4Å; E6-L31 HydrophobicContact CG-CD2 4.26Å; E24-L31 HydrophobicContact CB-CD1 4.4Å; L31-A48 HydrophobicContact CB-CB 4.39Å; L31-A48 PolarHBondContact N-O 3.34Å; L31-A48 PolarHBondContact O-N 2.95Å
32	A	96.6	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.5	174.1	0	0	0	0	0	110.6	S22 F23 L30 H46 L47	S22-A32 CarbonylContact C-O 3.57Å; S22-A32 WeakPolarHBondContact CA-O 3.31Å; S22-A32 WeakPolarHBondContact CB-O 3.5Å; F23-A32 HydrophobicContact CD1-CB 4.24Å; F23-A32 HydrophobicContact CD2-CB 3.87Å; F23-A32 HydrophobicContact CE1-CB 3.83Å; F23-A32 HydrophobicContact CE2-CB 3.42Å; F23-A32 VanDerWaalsContact CE2-CB 3.42Å; F23-A32 HydrophobicContact CG-CB 4.25Å; F23-A32 HydrophobicContact CZ-CB 3.41Å; F23-A32 VanDerWaalsContact CZ-CB 3.41Å; F23-A32 PolarHBondContact N-O 3.05Å; F23-A32 PolarHBondContact O-N 2.76Å; L30-A32 HydrophobicContact CD1-CB 4.42Å; A32-H46 CarbonylContact C-O 3.6Å; A32-H46 WeakPolarHBondContact CA-O 3.44Å; A32-L47 HydrophobicContact CB-CD2 3.57Å
33	A	95.8	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.4	170.7	0	0	0	0	0	110	V5 L19 L35 H46	V5-A33 HydrophobicContact CG1-CB 3.73Å; L19-A33 HydrophobicContact CD1-CB 3.84Å; A33-L35 HydrophobicContact CB-CD1 4.3Å; A33-H46 HydrophobicContact CB-CB 4.36Å; A33-H46 PolarHBondContact N-O 2.72Å; A33-H46 PolarHBondContact O-N 3.31Å
34	E	96.2	Very high	94.8	Very high	38 Å²	38	38.1 Å²	38.1	18%	0.178	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.4	175.8	-69.3	177.8	-168.2	0	0	109.4	K20 R21 Y44 L45	K20-E34 WeakPolarHBondContact CB-O 3.41Å; K20-E34 PolarHBondContact N-O 3.16Å; R21-E34 HydrophobicContact CG-CB 4.14Å; R21-E34 HydrophobicContact CG-CG 4.43Å; R21-E34 IonicContact CZ-OE1 3.34Å; R21-E34 IonicContact CZ-OE2 2.73Å; R21-E34 PolarHBondContact N-O 3.29Å; R21-E34 IonicContact NE-OE1 2.72Å; R21-E34 PolarHBondContact NE-OE1 3.34Å; R21-E34 IonicContact NE-OE2 2.76Å; R21-E34 PolarHBondContact NE-OE2 2.97Å; R21-E34 IonicContact NH2-OE1 2.66Å; R21-E34 PolarHBondContact NH2-OE1 3.23Å; R21-E34 IonicContact NH2-OE2 3.69Å; R21-E34 PolarHBondContact NH2-OE2 2.9Å; R21-E34 PolarHBondContact O-N 2.8Å; E34-Y44 CarbonylContact C-O 3.46Å; E34-Y44 WeakPolarHBondContact CA-O 2.86Å; E34-L45 HydrophobicContact CG-CD1 4.01Å
35	L	96.5	Very high	94.9	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	157.9	179.9	-44.9	92.2	0	0	0	111.2	F17 R18 L19 A33 Y44 L244	F17-L35 HydrophobicContact CB-CB 4.25Å; F17-L35 HydrophobicContact CB-CD2 4.17Å; F17-L35 HydrophobicContact CD1-CB 4.14Å; R18-L35 VanDerWaalsContact O-CA 3.29Å; R18-L35 WeakPolarHBondContact O-CA 3.29Å; L19-L35 HydrophobicContact CD1-CD2 4.5Å; L19-L35 HydrophobicContact CD1-CG 4.11Å; A33-L35 HydrophobicContact CB-CD1 4.3Å; L35-Y44 HydrophobicContact CD1-CD1 3.81Å; L35-Y44 HydrophobicContact CD1-CG 4.36Å; L35-Y44 PolarHBondContact N-O 3.29Å; L35-Y44 PolarHBondContact O-N 3.44Å; L35-L244 HydrophobicContact CD2-CD1 3.92Å
36	E	96.4	Very high	95.1	Very high	69 Å²	69	33.2 Å²	33.2	32%	0.322	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.2	174.3	-170.2	-175.8	110.1	0	0	109.6	F17 R18 K20 Q38 A42	F17-E36 WeakPolarHBondContact CA-O 3.41Å; R18-E36 PolarHBondContact N-O 3.3Å; R18-E36 PolarHBondContact O-N 2.69Å; K20-E36 HydrophobicContact CD-CB 4.49Å; K20-E36 WeakPolarHBondContact CE-OE2 3.19Å; K20-E36 HydrophobicContact CG-CB 4.23Å; K20-E36 VanDerWaalsContact NZ-CD 3.25Å; K20-E36 IonicContact NZ-OE1 2.86Å; K20-E36 PolarHBondContact NZ-OE1 3.01Å; K20-E36 IonicContact NZ-OE2 3.51Å; K20-E36 PolarHBondContact NZ-OE2 3.19Å; E36-Q38 PolarHBondContact O-N 2.81Å; E36-A42 CarbonylContact C-O 3.08Å; E36-A42 WeakPolarHBondContact CA-O 3.01Å
37	H	97.5	Very high	95.5	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.2	175	-176.6	-110.7	0	0	0	110.3	G16 F17 K39 S40 G41 A42 D248 L252	G16-H37 VanDerWaalsContact C-CD2 3.44Å; G16-H37 PolarHBondContact O-CD2 3.32Å; F17-H37 HydrophobicContact CD1-CB 3.82Å; F17-H37 HydrophobicContact CE1-CB 3.66Å; F17-H37 HydrophobicContact CG-CB 4.36Å; F17-H37 HydrophobicContact CZ-CB 4.06Å; H37-K39 PolarHBondContact O-N 3.34Å; H37-S40 WeakPolarHBondContact ND1-CB 3.43Å; H37-S40 PolarHBondContact ND1-N 3.29Å; H37-S40 VanDerWaalsContact ND1-N 3.13Å; H37-S40 PolarHBondContact ND1-OG 2.9Å; H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 3.46Å; H37-A42 HydrophobicContact CB-CB 4.2Å; H37-A42 PolarHBondContact N-O 2.72Å; H37-D248 IonicContact CD2-OD1 3.24Å; H37-D248 IonicContact CE1-OD1 2.66Å; H37-D248 IonicContact NE2-OD1 3.3Å; H37-D248 PolarHBondContact NE2-OD1 2.88Å; H37-L252 HydrophobicContact CB-CD1 4.1Å; H37-L252 PolarHBondContact CE1-O 2.69Å
38	Q	95.6	Very high	95.9	Very high	85 Å²	85	27 Å²	27	40%	0.397	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-36.4	-168.9	-72.8	-168.2	4.8	0	0	114.1	L13 G16 R18 E36	L13-Q38 HydrophobicContact CD2-CG 3.71Å; L13-Q38 VanDerWaalsContact CG-NE2 3.33Å; G16-Q38 PolarHBondContact O-N 3.23Å; R18-Q38 HydrophobicContact CB-CG 4.38Å; R18-Q38 VanDerWaalsContact NE-NE2 3.18Å; E36-Q38 PolarHBondContact O-N 2.81Å
39	K	97	Very high	96.1	Very high	100 Å²	100	27.2 Å²	27.2	44%	0.435	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-45.5	-173.6	-168.3	-173.2	174.2	173.9	0	112.4	H37 Q253 Y255 N256 F257	H37-K39 PolarHBondContact O-N 3.34Å; K39-Q253 WeakPolarHBondContact CD-O 3.45Å; K39-Q253 WeakPolarHBondContact CE-O 3.44Å; K39-Q253 PolarHBondContact NZ-O 3.26Å; K39-Y255 WeakPolarHBondContact CD-O 3.41Å; K39-Y255 WeakPolarHBondContact CE-O 3.32Å; K39-Y255 WeakPolarHBondContact CG-O 3.3Å; K39-N256 WeakPolarHBondContact CE-OD1 3.16Å; K39-N256 CarbonylContact O-C 3.57Å; K39-F257 PolarHBondContact O-N 3.36Å
40	S	96.8	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-18.9	-176	73.4	0	0	0	0	113.6	H37 A42 S228	H37-S40 WeakPolarHBondContact ND1-CB 3.43Å; H37-S40 PolarHBondContact ND1-N 3.29Å; H37-S40 VanDerWaalsContact ND1-N 3.13Å; H37-S40 PolarHBondContact ND1-OG 2.9Å; S40-A42 VanDerWaalsContact C-N 3.27Å; S40-A42 PolarHBondContact O-N 2.79Å; S40-A42 PolarHBondContact OG-N 2.97Å; S40-S228 VanDerWaalsContact O-CA 3.32Å; S40-S228 WeakPolarHBondContact O-CA 3.24Å; S40-S228 WeakPolarHBondContact O-CB 3.31Å; S40-S228 PolarHBondContact O-N 3.35Å
41	G	95.9	Very high	96.2	Very high	10 Å²	10	29.1 Å²	29.1	10%	0.103	14%	0.141	C	C	.	.			trans	73.6	10.2	-174.3	0	0	0	0	0	115.2	H37 K43	H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 3.46Å; G41-K43 PolarHBondContact O-N 2.7Å
42	A	97.2	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.			trans	-61.1	135.9	176.9	0	0	0	0	0	111.7	E36 H37 S40 P227 F232 L252	E36-A42 CarbonylContact C-O 3.08Å; E36-A42 WeakPolarHBondContact CA-O 3.01Å; H37-A42 HydrophobicContact CB-CB 4.2Å; H37-A42 PolarHBondContact N-O 2.72Å; S40-A42 VanDerWaalsContact C-N 3.27Å; S40-A42 PolarHBondContact O-N 2.79Å; S40-A42 PolarHBondContact OG-N 2.97Å; A42-P227 VanDerWaalsContact CA-O 3.23Å; A42-P227 WeakPolarHBondContact CA-O 3.12Å; A42-P227 HydrophobicContact CB-CB 4.01Å; A42-P227 VanDerWaalsContact CB-O 3.31Å; A42-P227 WeakPolarHBondContact CB-O 3.49Å; A42-F232 HydrophobicContact CB-CD2 4.18Å; A42-F232 HydrophobicContact CB-CE2 3.79Å; A42-L252 HydrophobicContact CB-CD1 4.23Å; A42-L252 HydrophobicContact CB-CD2 4.17Å
43	K	97	Very high	96.1	Very high	97 Å²	97	31.7 Å²	31.7	42%	0.422	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	150.5	176.5	-62.1	177.7	-177.6	178.4	0	110.3	G41 S230 C231 F232	G41-K43 PolarHBondContact O-N 2.7Å; K43-S230 PolarHBondContact N-O 3.07Å; K43-S230 VanDerWaalsContact N-O 3.14Å; K43-C231 HydrophobicContact CB-CB 4.28Å; K43-C231 WeakPolarHBondContact O-CA 3.19Å; K43-F232 WeakPolarHBondContact O-CD2 3.46Å; K43-F232 PolarHBondContact O-N 2.85Å
44	Y	98	Very high	96.2	Very high	3 Å²	3	32 Å²	32	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	128.1	178.2	-163.8	-69.1	0	0	0	110.2	F17 E34 L35 H46 F232 T234 L240 L244 L247	F17-Y44 HydrophobicContact CE1-CD2 4.14Å; F17-Y44 HydrophobicContact CE1-CG 4.45Å; F17-Y44 HydrophobicContact CZ-CD2 4.32Å; E34-Y44 CarbonylContact C-O 3.46Å; E34-Y44 WeakPolarHBondContact CA-O 2.86Å; L35-Y44 HydrophobicContact CD1-CD1 3.81Å; L35-Y44 HydrophobicContact CD1-CG 4.36Å; L35-Y44 PolarHBondContact N-O 3.29Å; L35-Y44 PolarHBondContact O-N 3.44Å; Y44-H46 HydrophobicContact CD1-CB 4.32Å; Y44-H46 HydrophobicContact CE1-CB 3.93Å; Y44-F232 CarbonylContact C-O 3.55Å; Y44-F232 WeakPolarHBondContact CA-O 3.37Å; Y44-F232 HydrophobicContact CD2-CB 3.4Å; Y44-F232 HydrophobicContact CD2-CD2 4.48Å; Y44-F232 HydrophobicContact CD2-CG 4.17Å; Y44-F232 HydrophobicContact CE2-CB 3.78Å; Y44-F232 HydrophobicContact CG-CB 4.03Å; Y44-T234 WeakPolarHBondContact CE1-OG1 3.38Å; Y44-T234 WeakPolarHBondContact OH-CB 3.36Å; Y44-T234 WeakPolarHBondContact OH-CG2 3.37Å; Y44-T234 PolarHBondContact OH-OG1 3.25Å; Y44-L240 HydrophobicContact CD1-CD1 4.38Å; Y44-L240 HydrophobicContact CE1-CD1 3.55Å; Y44-L244 HydrophobicContact CD1-CD2 4.38Å; Y44-L244 HydrophobicContact CD2-CD2 3.68Å; Y44-L244 HydrophobicContact CE1-CD2 4.34Å; Y44-L244 HydrophobicContact CE2-CD2 3.63Å; Y44-L244 HydrophobicContact CG-CD2 4.07Å; Y44-L247 HydrophobicContact CD2-CD1 3.99Å; Y44-L247 HydrophobicContact CE2-CD1 3.53Å
45	L	98	Very high	96.3	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.3	172.4	177.9	63.1	0	0	0	109.6	E34 L47 F232 Y233 T234 L419 V423 L429	E34-L45 HydrophobicContact CG-CD1 4.01Å; L45-L47 HydrophobicContact CD1-CD2 3.9Å; L45-L47 HydrophobicContact CD2-CD2 4.45Å; L45-L47 HydrophobicContact CG-CD2 4.11Å; L45-L47 HydrophobicContact CG-CG 4.36Å; L45-F232 PolarHBondContact N-O 3.05Å; L45-Y233 HydrophobicContact CB-CD2 4.3Å; L45-Y233 HydrophobicContact CD2-CD2 3.96Å; L45-Y233 HydrophobicContact CD2-CE2 4.26Å; L45-Y233 HydrophobicContact CG-CD2 4.11Å; L45-Y233 CarbonylContact O-C 3.53Å; L45-Y233 VanDerWaalsContact O-CA 3.24Å; L45-Y233 WeakPolarHBondContact O-CA 3.22Å; L45-T234 PolarHBondContact O-N 3.49Å; L45-L419 HydrophobicContact CD2-CD1 4.31Å; L45-V423 HydrophobicContact CD2-CG2 4.44Å; L45-L429 HydrophobicContact CD1-CD1 3.93Å; L45-L429 HydrophobicContact CD2-CD1 3.63Å; L45-L429 HydrophobicContact CG-CD1 4.35Å
46	H	97.9	Very high	96.4	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.4	171.7	-175.9	56.3	0	0	0	110.2	A32 A33 Y44 T234 L240	A32-H46 CarbonylContact C-O 3.6Å; A32-H46 WeakPolarHBondContact CA-O 3.44Å; A33-H46 HydrophobicContact CB-CB 4.36Å; A33-H46 PolarHBondContact N-O 2.72Å; A33-H46 PolarHBondContact O-N 3.31Å; Y44-H46 HydrophobicContact CD1-CB 4.32Å; Y44-H46 HydrophobicContact CE1-CB 3.93Å; H46-T234 CarbonylContact C-O 3.55Å; H46-T234 WeakPolarHBondContact CA-O 3.47Å; H46-T234 PolarHBondContact ND1-O 3.37Å; H46-T234 PolarHBondContact ND1-OG1 3.35Å; H46-L240 HydrophobicContact CB-CD1 4.01Å; H46-L240 HydrophobicContact CB-CD2 4.27Å
47	L	97.2	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	95.7	171.9	-58.2	-170.4	0	0	0	109.6	L30 A32 L45 R49 Y233 T234 Y235 G236 L415 L419 L433	L30-L47 HydrophobicContact CD1-CD2 4.18Å; L30-L47 HydrophobicContact CD2-CD1 4.46Å; A32-L47 HydrophobicContact CB-CD2 3.57Å; L45-L47 HydrophobicContact CD1-CD2 3.9Å; L45-L47 HydrophobicContact CD2-CD2 4.45Å; L45-L47 HydrophobicContact CG-CD2 4.11Å; L45-L47 HydrophobicContact CG-CG 4.36Å; L47-R49 PolarHBondContact O-N 2.89Å; L47-Y233 HydrophobicContact CB-CE2 4.48Å; L47-Y233 HydrophobicContact CD1-CE2 3.66Å; L47-Y233 HydrophobicContact CG-CE2 3.77Å; L47-T234 PolarHBondContact N-O 3.14Å; L47-Y235 HydrophobicContact CB-CD2 4.02Å; L47-Y235 WeakPolarHBondContact O-CA 3.45Å; L47-G236 PolarHBondContact O-N 2.74Å; L47-G236 VanDerWaalsContact O-N 3.15Å; L47-L415 HydrophobicContact CD1-CD1 3.82Å; L47-L419 HydrophobicContact CD1-CD1 4.16Å; L47-L433 HydrophobicContact CD2-CD1 4.36Å
48	A	96.6	Very high	96.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.8	-179.3	0	0	0	0	0	110.7	V5 L30 L31	V5-A48 HydrophobicContact CG2-CB 4.43Å; L30-A48 VanDerWaalsContact CA-O 3.25Å; L30-A48 WeakPolarHBondContact CA-O 3.23Å; L30-A48 WeakPolarHBondContact CB-O 3.39Å; L31-A48 HydrophobicContact CB-CB 4.39Å; L31-A48 PolarHBondContact N-O 3.34Å; L31-A48 PolarHBondContact O-N 2.95Å
49	R	93.6	Very high	96.7	Very high	20 Å²	20	22.6 Å²	22.6	8%	0.075	12%	0.115	C	C	.	.			trans	-146.1	147.8	175.7	179.6	168.7	168.9	-167.4	3.8	109.5	L30 L47 D51 Y235 G236 N237 E407	L30-R49 HydrophobicContact CB-CB 4.1Å; L47-R49 PolarHBondContact O-N 2.89Å; R49-D51 HydrophobicContact CG-CB 4.45Å; R49-D51 PolarHBondContact O-N 3.41Å; R49-Y235 HydrophobicContact CB-CE2 3.98Å; R49-Y235 WeakPolarHBondContact CD-OH 3.46Å; R49-G236 CarbonylContact O-C 3.59Å; R49-G236 VanDerWaalsContact O-CA 3.31Å; R49-G236 WeakPolarHBondContact O-CA 3.47Å; R49-N237 PolarHBondContact O-OD1 2.97Å; R49-N237 VanDerWaalsContact O-OD1 3.14Å; R49-E407 IonicContact CZ-OE1 2.79Å; R49-E407 IonicContact NH2-OE1 2.74Å; R49-E407 PolarHBondContact NH2-OE1 2.8Å; R49-E407 IonicContact NH2-OE2 3.36Å; R49-E407 PolarHBondContact NH2-OE2 3.46Å
50	D	91.8	Very high	96.7	Very high	140 Å²	140	17.9 Å²	17.9	75%	0.749	9%	0.094	S	C	*	.	S	Bend	trans	-73.8	78.7	173.1	-171.3	19.4	0	0	0	111.1	N237	D50-N237 WeakPolarHBondContact CA-OD1 3.42Å; D50-N237 PolarHBondContact OD1-ND2 3.3Å; D50-N237 PolarHBondContact OD1-OD1 3.45Å
51	D	93.4	Very high	96.7	Very high	25 Å²	25	20.5 Å²	20.5	13%	0.134	10%	0.104	C	C	.	.			trans	-139	119.6	178.4	-173.3	-14.5	0	0	0	109.2	R49 N53 Y235 N237	R49-D51 HydrophobicContact CG-CB 4.45Å; R49-D51 PolarHBondContact O-N 3.41Å; D51-N53 PolarHBondContact O-N 2.97Å; D51-N53 WeakPolarHBondContact OD1-CB 3.38Å; D51-N53 PolarHBondContact OD1-N 2.89Å; D51-Y235 HydrophobicContact CB-CE1 3.89Å; D51-Y235 WeakPolarHBondContact CB-OH 3.41Å; D51-Y235 VanDerWaalsContact OD2-CE1 3.31Å; D51-Y235 WeakPolarHBondContact OD2-CE1 3.49Å; D51-Y235 PolarHBondContact OD2-OH 2.97Å; D51-N237 PolarHBondContact N-ND2 3.4Å; D51-N237 WeakPolarHBondContact O-CB 3.27Å; D51-N237 PolarHBondContact O-N 2.8Å
52	P	93.7	Very high	96.7	Very high	56 Å²	56	20 Å²	20	36%	0.364	10%	0.099	S	C	.	.	S	Bend	trans	-66.9	-24	179.3	28.1	-35.7	0	0	0	113.4	K54 M119	P52-K54 VanDerWaalsContact C-N 3.32Å; P52-K54 PolarHBondContact O-N 3.49Å; P52-K54 PolarHBondContact O-NZ 3.12Å; P52-M119 HydrophobicContact CB-CE 4.3Å; P52-M119 HydrophobicContact CG-CE 4.04Å; P52-M119 WeakPolarHBondContact O-CA 3.42Å
53	N	96.5	Very high	96.6	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-78.6	82.7	179.1	-169.1	28.7	0	0	0	110.2	D51 T101 M119 A409 P924	D51-N53 PolarHBondContact O-N 2.97Å; D51-N53 WeakPolarHBondContact OD1-CB 3.38Å; D51-N53 PolarHBondContact OD1-N 2.89Å; N53-T101 WeakPolarHBondContact OD1-CG2 3.37Å; N53-T101 PolarHBondContact OD1-OG1 3.4Å; N53-M119 HydrophobicContact CB-CG 4.02Å; N53-A409 PolarHBondContact ND2-O 3.36Å; N53-P924 HydrophobicContact CB-CG 4.18Å
54	K	97.9	Very high	96.5	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.026	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.3	-177.3	-64.9	166.2	-75.2	-80.5	0	110.1	P52 S117 T118 M119 D121 F124 Y235 V238	P52-K54 VanDerWaalsContact C-N 3.32Å; P52-K54 PolarHBondContact O-N 3.49Å; P52-K54 PolarHBondContact O-NZ 3.12Å; K54-S117 CarbonylContact O-C 3.15Å; K54-S117 WeakPolarHBondContact O-CA 3.28Å; K54-S117 WeakPolarHBondContact O-CB 3.43Å; K54-T118 PolarHBondContact N-O 3.5Å; K54-T118 PolarHBondContact O-N 2.89Å; K54-M119 PolarHBondContact NZ-O 3.05Å; K54-D121 WeakPolarHBondContact CE-OD1 3.43Å; K54-D121 IonicContact NZ-OD1 3.38Å; K54-D121 PolarHBondContact NZ-OD1 2.82Å; K54-F124 HydrophobicContact CB-CD2 3.66Å; K54-F124 HydrophobicContact CB-CE2 3.89Å; K54-F124 HydrophobicContact CD-CD2 4.09Å; K54-F124 HydrophobicContact CD-CG 4.28Å; K54-Y235 WeakPolarHBondContact CA-O 3.22Å; K54-V238 HydrophobicContact CB-CG2 3.63Å; K54-V238 HydrophobicContact CD-CG2 3.92Å; K54-V238 HydrophobicContact CG-CG2 3.61Å
55	T	98.6	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	173.5	-55.8	0	0	0	0	109.6	F116 S117 Y233 T234 Y235 L413 I416	T55-F116 WeakPolarHBondContact CA-O 3.23Å; T55-F116 WeakPolarHBondContact CG2-O 3.23Å; T55-S117 WeakPolarHBondContact CB-OG 3.43Å; T55-S117 WeakPolarHBondContact CG2-OG 3.42Å; T55-S117 PolarHBondContact OG1-OG 3.14Å; T55-Y233 HydrophobicContact CG2-CD1 4.18Å; T55-Y233 HydrophobicContact CG2-CE1 3.78Å; T55-T234 CarbonylContact O-C 3.2Å; T55-T234 VanDerWaalsContact O-CA 3.24Å; T55-T234 WeakPolarHBondContact O-CA 3.36Å; T55-Y235 PolarHBondContact N-O 2.82Å; T55-Y235 VanDerWaalsContact N-O 3.12Å; T55-Y235 PolarHBondContact O-N 3.01Å; T55-L413 PolarHBondContact OG1-N 3.03Å; T55-I416 HydrophobicContact CG2-CG2 4.3Å
56	F	98.7	Very high	96.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.3	166.3	169.8	-89.7	0	0	0	109	V58 P115 F116 F124 L128 L132 F232 Y233 T234	F56-V58 HydrophobicContact CE1-CB 4.35Å; F56-V58 HydrophobicContact CE1-CG1 4.32Å; F56-V58 HydrophobicContact CZ-CB 4.27Å; F56-P115 WeakPolarHBondContact O-CA 3.25Å; F56-F116 HydrophobicContact CB-CD1 4.17Å; F56-F116 HydrophobicContact CB-CE1 3.6Å; F56-F116 HydrophobicContact CB-CE2 4.01Å; F56-F116 HydrophobicContact CB-CZ 3.5Å; F56-F116 VanDerWaalsContact CB-CZ 3.5Å; F56-F116 AromaticContact CD1-CD1 3.82Å; F56-F116 HydrophobicContact CD1-CD1 3.82Å; F56-F116 AromaticContact CD1-CE1 3.29Å; F56-F116 HydrophobicContact CD1-CE1 3.29Å; F56-F116 HydrophobicContact CD1-CZ 4.03Å; F56-F116 HydrophobicContact CE1-CE1 4.21Å; F56-F116 HydrophobicContact CG-CD1 4.44Å; F56-F116 AromaticContact CG-CE1 3.72Å; F56-F116 HydrophobicContact CG-CE1 3.72Å; F56-F116 AromaticContact CG-CZ 3.98Å; F56-F116 HydrophobicContact CG-CZ 3.98Å; F56-F116 PolarHBondContact N-O 3.2Å; F56-F116 PolarHBondContact O-N 2.9Å; F56-F124 HydrophobicContact CB-CE2 3.96Å; F56-F124 HydrophobicContact CB-CZ 4.1Å; F56-L128 HydrophobicContact CD1-CD1 4.19Å; F56-L128 HydrophobicContact CD2-CD1 3.61Å; F56-L128 HydrophobicContact CE1-CD1 4Å; F56-L128 HydrophobicContact CE2-CD1 3.41Å; F56-L128 VanDerWaalsContact CE2-CD1 3.41Å; F56-L128 HydrophobicContact CG-CD1 4Å; F56-L128 HydrophobicContact CZ-CD1 3.61Å; F56-L132 HydrophobicContact CZ-CD2 3.98Å; F56-L132 HydrophobicContact CZ-CG 4.4Å; F56-F232 HydrophobicContact CE2-CD1 4.03Å; F56-F232 AromaticContact CZ-CD1 3.83Å; F56-F232 HydrophobicContact CZ-CD1 3.83Å; F56-F232 HydrophobicContact CZ-CE1 4.32Å; F56-Y233 CarbonylContact C-O 3.53Å; F56-Y233 VanDerWaalsContact CA-O 3.27Å; F56-Y233 WeakPolarHBondContact CA-O 3.27Å; F56-Y233 WeakPolarHBondContact CD2-O 3.47Å; F56-T234 HydrophobicContact CB-CG2 4.39Å; F56-T234 HydrophobicContact CD2-CG2 3.78Å
57	S	98.7	Very high	96.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157	160.4	78.4	0	0	0	0	112	Y114 F232 Y233	S57-Y114 WeakPolarHBondContact CA-O 3.42Å; S57-F232 CarbonylContact O-C 3.57Å; S57-F232 WeakPolarHBondContact O-CA 3.4Å; S57-Y233 PolarHBondContact N-O 2.85Å; S57-Y233 PolarHBondContact O-N 2.85Å; S57-Y233 WeakPolarHBondContact OG-CB 3.35Å
58	V	98.6	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.6	160.8	56.3	0	0	0	0	107.7	F56 M113 Y114 V135 F136 F232	F56-V58 HydrophobicContact CE1-CB 4.35Å; F56-V58 HydrophobicContact CE1-CG1 4.32Å; F56-V58 HydrophobicContact CZ-CB 4.27Å; V58-M113 WeakPolarHBondContact O-CA 3.41Å; V58-Y114 HydrophobicContact CG1-CD2 4.14Å; V58-Y114 HydrophobicContact CG1-CG 4.49Å; V58-Y114 PolarHBondContact N-O 3.04Å; V58-Y114 PolarHBondContact O-N 3.41Å; V58-V135 HydrophobicContact CG1-CB 4.46Å; V58-V135 HydrophobicContact CG1-CG1 4.37Å; V58-V135 HydrophobicContact CG1-CG2 3.87Å; V58-F136 HydrophobicContact CG2-CE2 4.33Å; V58-F136 HydrophobicContact CG2-CZ 4.13Å; V58-F232 HydrophobicContact CB-CD1 3.86Å; V58-F232 HydrophobicContact CB-CE1 3.84Å; V58-F232 HydrophobicContact CG2-CD1 3.88Å; V58-F232 HydrophobicContact CG2-CE1 3.54Å; V58-F232 HydrophobicContact CG2-CZ 4.1Å
59	Q	98.3	Very high	96.2	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.023	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.2	177.5	-176.1	179	-48.2	0	0	109.4	W111 T112 M113 S230 C231 S420	Q59-W111 HydrophobicContact CG-CB 4.08Å; Q59-W111 HydrophobicContact CG-CE3 4.35Å; Q59-W111 HydrophobicContact CG-CG 4.44Å; Q59-T112 CarbonylContact C-O 3.58Å; Q59-T112 WeakPolarHBondContact CA-O 3.47Å; Q59-M113 HydrophobicContact CB-CB 4.42Å; Q59-M113 HydrophobicContact CB-CG 4.14Å; Q59-M113 HydrophobicContact CG-CB 4.41Å; Q59-S230 CarbonylContact O-C 3.54Å; Q59-S230 WeakPolarHBondContact O-CA 3.37Å; Q59-C231 PolarHBondContact N-O 3.01Å; Q59-C231 PolarHBondContact O-N 3.08Å; Q59-S420 PolarHBondContact NE2-O 3.26Å
60	L	97.4	Very high	96.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.6	176.9	-68.6	158.8	0	0	0	108.8	T62 W111 T112 Y114 V135 Y225	L60-T62 HydrophobicContact CB-CG2 4.32Å; L60-T62 PolarHBondContact O-N 3.28Å; L60-W111 CarbonylContact O-C 3.58Å; L60-W111 VanDerWaalsContact O-CA 3.24Å; L60-W111 WeakPolarHBondContact O-CA 3.32Å; L60-W111 WeakPolarHBondContact O-CB 3.42Å; L60-T112 PolarHBondContact N-O 3.39Å; L60-T112 PolarHBondContact O-N 3.37Å; L60-Y114 HydrophobicContact CD1-CE2 4.32Å; L60-V135 HydrophobicContact CD1-CG1 3.88Å; L60-Y225 HydrophobicContact CD1-CD1 3.43Å; L60-Y225 VanDerWaalsContact CD1-CD1 3.43Å; L60-Y225 HydrophobicContact CD1-CD2 3.94Å; L60-Y225 HydrophobicContact CD1-CE1 3.52Å; L60-Y225 HydrophobicContact CD1-CE2 3.98Å; L60-Y225 HydrophobicContact CD1-CG 3.65Å
61	R	96.5	Very high	96.6	Very high	54 Å²	54	16.1 Å²	16.1	20%	0.204	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.5	171.8	-173.4	-175	-61.1	142.8	-3.5	110.2	V63 N229 N262 N424	R61-V63 HydrophobicContact CG-CG2 3.86Å; R61-N229 WeakPolarHBondContact CB-OD1 3.16Å; R61-N229 PolarHBondContact N-O 3.12Å; R61-N229 PolarHBondContact O-ND2 3.23Å; R61-N262 WeakPolarHBondContact CD-O 3.42Å; R61-N262 PolarHBondContact NH1-OD1 3.31Å; R61-N424 VanDerWaalsContact CB-OD1 3.32Å; R61-N424 WeakPolarHBondContact CB-OD1 3.46Å; R61-N424 WeakPolarHBondContact CG-OD1 3.46Å; R61-N424 PolarHBondContact NE-O 3.08Å; R61-N424 PolarHBondContact NE-OD1 2.94Å; R61-N424 PolarHBondContact NH2-O 3.16Å
62	T	95.7	Very high	96.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.			trans	-133.1	72	-170.5	46.2	0	0	0	0	110.3	L60 F71 D110 W111 T112	L60-T62 HydrophobicContact CB-CG2 4.32Å; L60-T62 PolarHBondContact O-N 3.28Å; T62-F71 VanDerWaalsContact C-CE2 3.46Å; T62-F71 VanDerWaalsContact CB-CE1 3.46Å; T62-F71 HydrophobicContact CG2-CD1 3.33Å; T62-F71 HydrophobicContact CG2-CE1 3.49Å; T62-F71 VanDerWaalsContact CG2-CE1 3.49Å; T62-F71 HydrophobicContact CG2-CG 4.01Å; T62-F71 HydrophobicContact CG2-CZ 4.31Å; T62-F71 WeakPolarHBondContact O-CD2 3.49Å; T62-F71 WeakPolarHBondContact O-CE2 3.35Å; T62-D110 PolarHBondContact N-O 2.87Å; T62-D110 CarbonylContact O-C 3.56Å; T62-D110 WeakPolarHBondContact O-CA 3.16Å; T62-W111 WeakPolarHBondContact OG1-CA 3.44Å; T62-W111 PolarHBondContact OG1-N 3.42Å; T62-T112 WeakPolarHBondContact CG2-OG1 3.47Å; T62-T112 PolarHBondContact OG1-N 3.48Å; T62-T112 PolarHBondContact OG1-OG1 3Å
63	V	95.6	Very high	97	Very high	9 Å²	9	12.8 Å²	12.8	6%	0.055	6%	0.062	C	C	.	.			trans	-73.2	120.5	-176	-171.5	0	0	0	0	110.9	R61 H65 F71 T197 N262 V264	R61-V63 HydrophobicContact CG-CG2 3.86Å; V63-H65 PolarHBondContact O-CD2 3.3Å; V63-H65 PolarHBondContact O-NE2 3.07Å; V63-H65 VanDerWaalsContact O-NE2 3.1Å; V63-F71 WeakPolarHBondContact O-CE2 3.33Å; V63-T197 HydrophobicContact CG1-CG2 3.52Å; V63-N262 WeakPolarHBondContact CG2-O 3.3Å; V63-V264 HydrophobicContact CB-CG2 4.47Å; V63-V264 HydrophobicContact CG1-CG2 4.19Å; V63-V264 HydrophobicContact CG2-CG2 3.47Å; V63-V264 VanDerWaalsContact CG2-CG2 3.47Å
64	P	94.4	Very high	97.1	Very high	6 Å²	6	12.6 Å²	12.6	4%	0.039	6%	0.061	C	C	.	.			trans	-70.6	142.6	-178.2	30	-36.1	0	0	0	112.3	S109 F200	P64-S109 WeakPolarHBondContact CD-O 3.39Å; P64-S109 WeakPolarHBondContact CG-O 3.47Å; P64-F200 HydrophobicContact CB-CB 4.07Å; P64-F200 HydrophobicContact CG-CB 4.42Å
65	H	92.9	Very high	97.1	Very high	90 Å²	90	13 Å²	13	42%	0.417	6%	0.063	S	C	.	.	S	Bend	trans	-120.7	-8.5	176.9	-59.1	-77.5	0	0	0	113.1	V63 F200	V63-H65 PolarHBondContact O-CD2 3.3Å; V63-H65 PolarHBondContact O-NE2 3.07Å; V63-H65 VanDerWaalsContact O-NE2 3.1Å; H65-F200 WeakPolarHBondContact O-CE2 3.46Å; H65-F200 WeakPolarHBondContact O-CZ 3.47Å
66	D	95.9	Very high	97	Very high	35 Å²	35	13.7 Å²	13.7	19%	0.187	7%	0.066	C	C	.	.	S	Bend	trans	-159.2	175.6	178.9	61.5	51.8	0	0	0	109.8	S68 Y216	D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 3.29Å; D66-S68 PolarHBondContact OD1-OG 3.09Å; D66-Y216 VanDerWaalsContact OD2-CE1 3.29Å; D66-Y216 WeakPolarHBondContact OD2-CE1 3.41Å; D66-Y216 PolarHBondContact OD2-OH 2.86Å
67	D	97.1	Very high	96.9	Very high	40 Å²	40	13.7 Å²	13.7	21%	0.214	7%	0.066	C	C	.	.	S	Bend	trans	-93.1	14.5	-179.4	-58.5	-60.5	0	0	0	113.8	G69 F200 V201 G204 S205 R208	D67-G69 PolarHBondContact O-N 3.05Å; D67-F200 WeakPolarHBondContact OD1-CA 3.35Å; D67-V201 PolarHBondContact OD1-N 3.14Å; D67-G204 WeakPolarHBondContact O-CA 3.26Å; D67-S205 PolarHBondContact O-N 3.05Å; D67-R208 HydrophobicContact CB-CB 3.61Å; D67-R208 HydrophobicContact CB-CG 3.71Å; D67-R208 VanDerWaalsContact O-CB 3.28Å; D67-R208 WeakPolarHBondContact O-CB 3.2Å
68	S	97.6	Very high	96.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	7%	0.066	C	C	.	.	S	Bend	trans	-73	-10.5	-175.4	95.8	0	0	0	0	112.8	D66 V70	D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 3.29Å; D66-S68 PolarHBondContact OD1-OG 3.09Å; S68-V70 VanDerWaalsContact C-N 3.3Å; S68-V70 PolarHBondContact O-N 3.27Å; S68-V70 PolarHBondContact OG-N 3.47Å
69	G	97.4	Very high	96.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	7%	0.069	C	C	.	.			trans	68.8	26.4	-175.2	0	0	0	0	0	113.4	D67 F71 H72 V73 S202	D67-G69 PolarHBondContact O-N 3.05Å; G69-F71 PolarHBondContact O-N 3.46Å; G69-F71 VanDerWaalsContact O-N 3.14Å; G69-H72 PolarHBondContact O-N 3.47Å; G69-V73 PolarHBondContact O-N 3.18Å; G69-S202 WeakPolarHBondContact CA-O 3.33Å
70	V	97.9	Very high	96.7	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.024	7%	0.071	C	C	.	.	H	α-helix	trans	-52.2	-39.4	-173.1	60.8	0	0	0	0	112.9	S68 L74 L212 Y216 F220	S68-V70 VanDerWaalsContact C-N 3.3Å; S68-V70 PolarHBondContact O-N 3.27Å; S68-V70 PolarHBondContact OG-N 3.47Å; V70-L74 WeakPolarHBondContact O-CB 3.32Å; V70-L74 PolarHBondContact O-N 2.89Å; V70-L212 HydrophobicContact CB-CD1 3.96Å; V70-L212 HydrophobicContact CG2-CD1 3.83Å; V70-Y216 HydrophobicContact CG2-CD1 4.5Å; V70-F220 HydrophobicContact CB-CD1 4.43Å; V70-F220 HydrophobicContact CG1-CD1 3.64Å; V70-F220 HydrophobicContact CG1-CE1 3.58Å; V70-F220 HydrophobicContact CG1-CG 4.29Å; V70-F220 HydrophobicContact CG1-CZ 4.21Å; V70-F220 HydrophobicContact CG2-CB 3.86Å; V70-F220 HydrophobicContact CG2-CD1 3.86Å; V70-F220 HydrophobicContact CG2-CD2 4.22Å; V70-F220 HydrophobicContact CG2-CE1 4.49Å; V70-F220 HydrophobicContact CG2-CG 3.69Å
71	F	96.3	Very high	96.6	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-73.2	-34.2	179.5	-65.5	-64.1	0	0	0	113.5	T62 V63 G69 L74 E75 T107 F220 Y224	T62-F71 VanDerWaalsContact C-CE2 3.46Å; T62-F71 VanDerWaalsContact CB-CE1 3.46Å; T62-F71 HydrophobicContact CG2-CD1 3.33Å; T62-F71 HydrophobicContact CG2-CE1 3.49Å; T62-F71 VanDerWaalsContact CG2-CE1 3.49Å; T62-F71 HydrophobicContact CG2-CG 4.01Å; T62-F71 HydrophobicContact CG2-CZ 4.31Å; T62-F71 WeakPolarHBondContact O-CD2 3.49Å; T62-F71 WeakPolarHBondContact O-CE2 3.35Å; V63-F71 WeakPolarHBondContact O-CE2 3.33Å; G69-F71 PolarHBondContact O-N 3.46Å; G69-F71 VanDerWaalsContact O-N 3.14Å; F71-L74 PolarHBondContact O-N 3.41Å; F71-E75 VanDerWaalsContact O-CB 3.28Å; F71-E75 WeakPolarHBondContact O-CB 3.24Å; F71-E75 PolarHBondContact O-N 3.1Å; F71-T107 HydrophobicContact CB-CG2 4.28Å; F71-F220 HydrophobicContact CD1-CD1 4.31Å; F71-F220 AromaticContact CE1-CD1 3.58Å; F71-F220 HydrophobicContact CE1-CD1 3.58Å; F71-F220 HydrophobicContact CE1-CE1 4.08Å; F71-F220 HydrophobicContact CE2-CD1 4.22Å; F71-F220 AromaticContact CE2-CE1 3.94Å; F71-F220 HydrophobicContact CE2-CE1 3.94Å; F71-F220 AromaticContact CZ-CD1 3.54Å; F71-F220 HydrophobicContact CZ-CD1 3.54Å; F71-F220 AromaticContact CZ-CE1 3.52Å; F71-F220 HydrophobicContact CZ-CE1 3.52Å; F71-Y224 AromaticContact CE1-CD2 3.96Å; F71-Y224 HydrophobicContact CE1-CD2 3.96Å; F71-Y224 HydrophobicContact CE1-CG 4.4Å; F71-Y224 HydrophobicContact CZ-CD2 4.08Å; F71-Y224 HydrophobicContact CZ-CE2 4.32Å
72	H	98	Very high	96.7	Very high	11 Å²	11	12 Å²	12	5%	0.051	6%	0.061	C	C	.	.	H	α-helix	trans	-72.7	-43.6	177	-175.4	-159.2	0	0	0	111.6	G69 L74 E75 H76 T107 V170 E173 A203	G69-H72 PolarHBondContact O-N 3.47Å; H72-L74 VanDerWaalsContact C-N 3.3Å; H72-L74 PolarHBondContact O-N 2.95Å; H72-E75 IonicContact CD2-OE2 3.97Å; H72-E75 WeakPolarHBondContact O-CB 3.3Å; H72-E75 PolarHBondContact O-N 2.72Å; H72-H76 AromaticContact CD2-CD2 3.94Å; H72-H76 AromaticContact CD2-NE2 3.85Å; H72-H76 AromaticContact NE2-NE2 3.48Å; H72-H76 PolarHBondContact NE2-NE2 2.81Å; H72-H76 PolarHBondContact O-CD2 3.43Å; H72-H76 PolarHBondContact O-N 3.03Å; H72-H76 VanDerWaalsContact O-N 3.15Å; H72-T107 HydrophobicContact CB-CG2 4.13Å; H72-V170 WeakPolarHBondContact ND1-CG1 3.46Å; H72-E173 IonicContact CE1-OE1 3.91Å; H72-E173 IonicContact CE1-OE2 3.86Å; H72-E173 PolarHBondContact CE1-OE2 3.5Å; H72-E173 IonicContact NE2-OE1 3.06Å; H72-E173 IonicContact NE2-OE2 3.41Å; H72-E173 PolarHBondContact NE2-OE2 2.98Å; H72-A203 PolarHBondContact ND1-O 3.45Å
73	V	98.3	Very high	96.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-37.2	172.3	-177.5	0	0	0	0	110.8	G69 H76 T77 F145 G149 V170 L212 L217	G69-V73 PolarHBondContact O-N 3.18Å; V73-H76 PolarHBondContact O-N 2.79Å; V73-T77 HydrophobicContact CG1-CG2 4.18Å; V73-T77 WeakPolarHBondContact O-CB 3.32Å; V73-T77 VanDerWaalsContact O-CG2 3.28Å; V73-T77 WeakPolarHBondContact O-CG2 3.35Å; V73-T77 PolarHBondContact O-N 3.26Å; V73-T77 PolarHBondContact O-OG1 2.96Å; V73-F145 HydrophobicContact CG1-CD2 4.02Å; V73-F145 HydrophobicContact CG1-CE2 4.15Å; V73-G149 VanDerWaalsContact CG1-CA 3.47Å; V73-V170 HydrophobicContact CG2-CB 4.12Å; V73-V170 HydrophobicContact CG2-CG1 3.86Å; V73-V170 HydrophobicContact CG2-CG2 4.24Å; V73-L212 HydrophobicContact CB-CD2 3.69Å; V73-L212 HydrophobicContact CG1-CD2 3.94Å; V73-L212 HydrophobicContact CG2-CD2 3.74Å; V73-L217 HydrophobicContact CB-CD1 3.94Å; V73-L217 HydrophobicContact CG1-CD1 3.53Å
74	L	97.7	Very high	96.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-41.8	174.4	-176.5	57.6	0	0	0	111.3	V70 F71 H72 H76 T77 V78 I140 L217 F220 H221 Y225	V70-L74 WeakPolarHBondContact O-CB 3.32Å; V70-L74 PolarHBondContact O-N 2.89Å; F71-L74 PolarHBondContact O-N 3.41Å; H72-L74 VanDerWaalsContact C-N 3.3Å; H72-L74 PolarHBondContact O-N 2.95Å; L74-H76 VanDerWaalsContact C-N 3.31Å; L74-H76 PolarHBondContact O-N 3.04Å; L74-T77 VanDerWaalsContact CA-OG1 3.32Å; L74-T77 WeakPolarHBondContact CA-OG1 3.39Å; L74-T77 PolarHBondContact O-N 2.97Å; L74-T77 PolarHBondContact O-OG1 3.41Å; L74-V78 HydrophobicContact CD1-CG1 3.61Å; L74-V78 HydrophobicContact CG-CG1 4.08Å; L74-V78 WeakPolarHBondContact O-CG1 3.37Å; L74-V78 WeakPolarHBondContact O-CG2 3.44Å; L74-V78 PolarHBondContact O-N 3.16Å; L74-I140 HydrophobicContact CD1-CD1 4.04Å; L74-L217 HydrophobicContact CB-CD1 4.2Å; L74-L217 HydrophobicContact CB-CG 4.31Å; L74-L217 HydrophobicContact CD1-CD2 3.86Å; L74-L217 HydrophobicContact CD1-CG 4.04Å; L74-F220 HydrophobicContact CD2-CB 4.43Å; L74-H221 HydrophobicContact CD1-CB 3.83Å; L74-H221 HydrophobicContact CD2-CB 3.95Å; L74-Y225 HydrophobicContact CD2-CD2 3.8Å; L74-Y225 HydrophobicContact CD2-CE2 3.28Å; L74-Y225 HydrophobicContact CG-CE2 3.93Å
75	E	97.9	Very high	96.8	Very high	15 Å²	15	22.8 Å²	22.8	7%	0.07	11%	0.109	C	C	.	.	H	α-helix	trans	-53.7	-47.3	175.3	-178	-129.1	114.7	0	0	112.2	F71 H72 V78 L79 A105 T107 T112 Y114	F71-E75 VanDerWaalsContact O-CB 3.28Å; F71-E75 WeakPolarHBondContact O-CB 3.24Å; F71-E75 PolarHBondContact O-N 3.1Å; H72-E75 IonicContact CD2-OE2 3.97Å; H72-E75 WeakPolarHBondContact O-CB 3.3Å; H72-E75 PolarHBondContact O-N 2.72Å; E75-V78 WeakPolarHBondContact O-CG2 3.37Å; E75-L79 WeakPolarHBondContact O-CG 3.29Å; E75-A105 HydrophobicContact CG-CB 3.57Å; E75-A105 VanDerWaalsContact OE1-CB 3.25Å; E75-A105 WeakPolarHBondContact OE1-CB 3.43Å; E75-T107 WeakPolarHBondContact CB-OG1 3.21Å; E75-T107 WeakPolarHBondContact OE2-CB 3.3Å; E75-T107 PolarHBondContact OE2-N 3.17Å; E75-T107 PolarHBondContact OE2-OG1 2.9Å; E75-T112 HydrophobicContact CB-CG2 3.96Å; E75-T112 HydrophobicContact CG-CG2 3.88Å; E75-Y114 WeakPolarHBondContact CA-OH 3.37Å; E75-Y114 HydrophobicContact CG-CE1 4.06Å
76	H	96.7	Very high	97	Very high	13 Å²	13	21.7 Å²	21.7	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-49.8	174.4	-77	-141	0	0	0	112.2	H72 V73 L74 V78 L79 C80 E148 V170 E173	H72-H76 AromaticContact CD2-CD2 3.94Å; H72-H76 AromaticContact CD2-NE2 3.85Å; H72-H76 AromaticContact NE2-NE2 3.48Å; H72-H76 PolarHBondContact NE2-NE2 2.81Å; H72-H76 PolarHBondContact O-CD2 3.43Å; H72-H76 PolarHBondContact O-N 3.03Å; H72-H76 VanDerWaalsContact O-N 3.15Å; V73-H76 PolarHBondContact O-N 2.79Å; L74-H76 VanDerWaalsContact C-N 3.31Å; L74-H76 PolarHBondContact O-N 3.04Å; H76-V78 PolarHBondContact O-N 3.19Å; H76-L79 WeakPolarHBondContact O-CB 3.42Å; H76-L79 PolarHBondContact O-N 3.03Å; H76-C80 PolarHBondContact O-SG 3.43Å; H76-C80 VanDerWaalsContact O-SG 3.4Å; H76-E148 HydrophobicContact CB-CB 3.8Å; H76-E148 HydrophobicContact CB-CG 4.02Å; H76-E148 IonicContact CG-OE2 3.61Å; H76-E148 IonicContact ND1-OE2 3.35Å; H76-E148 PolarHBondContact ND1-OE2 3.45Å; H76-V170 HydrophobicContact CB-CG2 4.48Å; H76-V170 VanDerWaalsContact CE1-CG2 3.49Å; H76-V170 WeakPolarHBondContact CE1-CG2 3.31Å; H76-V170 WeakPolarHBondContact ND1-CG2 3.36Å; H76-E173 IonicContact CE1-OE2 2.62Å; H76-E173 IonicContact NE2-OE2 2.65Å
77	T	97.1	Very high	96.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-28.9	-170.4	51.8	0	0	0	0	113.9	V73 L74 L79 C80 F145 E148	V73-T77 HydrophobicContact CG1-CG2 4.18Å; V73-T77 WeakPolarHBondContact O-CB 3.32Å; V73-T77 VanDerWaalsContact O-CG2 3.28Å; V73-T77 WeakPolarHBondContact O-CG2 3.35Å; V73-T77 PolarHBondContact O-N 3.26Å; V73-T77 PolarHBondContact O-OG1 2.96Å; L74-T77 VanDerWaalsContact CA-OG1 3.32Å; L74-T77 WeakPolarHBondContact CA-OG1 3.39Å; L74-T77 PolarHBondContact O-N 2.97Å; L74-T77 PolarHBondContact O-OG1 3.41Å; T77-L79 PolarHBondContact O-N 3.21Å; T77-C80 WeakPolarHBondContact O-CB 3.34Å; T77-C80 PolarHBondContact O-N 3.47Å; T77-C80 VanDerWaalsContact O-N 3.17Å; T77-F145 HydrophobicContact CG2-CB 4.43Å; T77-E148 HydrophobicContact CG2-CB 4.17Å
78	V	97.3	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-22.4	172.9	-61.6	0	0	0	0	112.6	L74 E75 H76 C80 Y114 P138 Y225	L74-V78 HydrophobicContact CD1-CG1 3.61Å; L74-V78 HydrophobicContact CG-CG1 4.08Å; L74-V78 WeakPolarHBondContact O-CG1 3.37Å; L74-V78 WeakPolarHBondContact O-CG2 3.44Å; L74-V78 PolarHBondContact O-N 3.16Å; E75-V78 WeakPolarHBondContact O-CG2 3.37Å; H76-V78 PolarHBondContact O-N 3.19Å; V78-C80 VanDerWaalsContact C-N 3.33Å; V78-Y114 HydrophobicContact CG2-CE1 3.74Å; V78-Y114 WeakPolarHBondContact CG2-OH 3.19Å; V78-P138 HydrophobicContact CB-CB 4.01Å; V78-P138 HydrophobicContact CB-CG 4.28Å; V78-P138 HydrophobicContact CG1-CB 4.09Å; V78-P138 HydrophobicContact CG1-CG 3.9Å; V78-Y225 HydrophobicContact CG1-CD1 4.4Å; V78-Y225 HydrophobicContact CG1-CE1 3.93Å; V78-Y225 HydrophobicContact CG2-CE1 4.31Å
79	L	96.9	Very high	95.9	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.073	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.6	176.8	-60.2	177.9	0	0	0	113.2	E75 H76 T77 G81 P90 F91 A105 Y114 A134	E75-L79 WeakPolarHBondContact O-CG 3.29Å; H76-L79 WeakPolarHBondContact O-CB 3.42Å; H76-L79 PolarHBondContact O-N 3.03Å; T77-L79 PolarHBondContact O-N 3.21Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 2.96Å; L79-P90 WeakPolarHBondContact O-CD 3.43Å; L79-P90 WeakPolarHBondContact O-CG 3.33Å; L79-F91 HydrophobicContact CB-CB 3.82Å; L79-F91 HydrophobicContact CB-CG 4.33Å; L79-F91 HydrophobicContact CD1-CB 4.29Å; L79-F91 HydrophobicContact CD1-CD1 4.27Å; L79-F91 HydrophobicContact CD1-CD2 3.86Å; L79-F91 HydrophobicContact CD1-CE2 4.23Å; L79-F91 HydrophobicContact CD1-CG 3.88Å; L79-F91 HydrophobicContact CD2-CB 4.15Å; L79-F91 HydrophobicContact CD2-CD2 3.95Å; L79-F91 HydrophobicContact CD2-CG 4.28Å; L79-F91 HydrophobicContact CG-CB 4.3Å; L79-F91 HydrophobicContact CG-CD2 4.42Å; L79-F91 HydrophobicContact CG-CG 4.39Å; L79-A105 HydrophobicContact CD1-CB 3.81Å; L79-Y114 HydrophobicContact CD2-CD1 4.12Å; L79-Y114 HydrophobicContact CD2-CE1 4.17Å; L79-Y114 HydrophobicContact CG-CE1 4.31Å; L79-A134 HydrophobicContact CD2-CB 4.14Å
80	C	95.7	Very high	95.7	Very high	8 Å²	8	20 Å²	20	5%	0.054	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4	-178.9	-63.3	0	0	0	0	114.7	H76 T77 V78 D89 D144	H76-C80 PolarHBondContact O-SG 3.43Å; H76-C80 VanDerWaalsContact O-SG 3.4Å; T77-C80 WeakPolarHBondContact O-CB 3.34Å; T77-C80 PolarHBondContact O-N 3.47Å; T77-C80 VanDerWaalsContact O-N 3.17Å; V78-C80 VanDerWaalsContact C-N 3.33Å; C80-D89 PolarHBondContact O-N 3.29Å; C80-D144 HydrophobicContact CB-CB 3.73Å
81	G	96.3	Very high	95.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.01	10%	0.103	C	C	.	.			trans	140.1	149.8	177.2	0	0	0	0	0	112.1	L79 K139	L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 2.96Å; G81-K139 PolarHBondContact O-N 3.33Å
82	S	97.4	Very high	95	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-136.6	174.4	-175.9	71.8	0	0	0	0	111.8	K84 Y85 P86 D133 R137	S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 2.88Å; S82-Y85 PolarHBondContact N-O 3.21Å; S82-Y85 CarbonylContact O-C 3.37Å; S82-Y85 PolarHBondContact O-N 3.34Å; S82-Y85 PolarHBondContact OG-N 2.75Å; S82-P86 VanDerWaalsContact O-CA 3.28Å; S82-P86 WeakPolarHBondContact O-CA 3.3Å; S82-D133 WeakPolarHBondContact CB-O 3.49Å; S82-D133 WeakPolarHBondContact CB-OD2 3.46Å; S82-D133 PolarHBondContact OG-OD2 3.32Å; S82-R137 CarbonylContact C-O 3.51Å; S82-R137 WeakPolarHBondContact CA-O 3.43Å; S82-R137 WeakPolarHBondContact CB-O 3.22Å
83	Q	96.5	Very high	94.8	Very high	145 Å²	145	24.7 Å²	24.7	68%	0.678	12%	0.122	S	C	*	.	S	Bend	trans	-58.9	-41.4	-177.7	-175.7	177.4	-4.7	0	0	112.6	D133 R137	Q83-D133 PolarHBondContact N-OD2 2.88Å; Q83-R137 HydrophobicContact CB-CB 4.07Å; Q83-R137 PolarHBondContact N-O 3.38Å
84	K	96.3	Very high	94.6	Very high	86 Å²	86	24.8 Å²	24.8	37%	0.374	12%	0.122	S	C	.	.	S	Bend	trans	-84.1	-28.7	179.3	-164	173.3	-174.4	167	0	112.6	S82 P86 D133 E250	S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 2.88Å; K84-P86 VanDerWaalsContact C-CD 3.44Å; K84-P86 WeakPolarHBondContact O-CD 3.44Å; K84-D133 WeakPolarHBondContact CA-OD2 3.29Å; K84-D133 HydrophobicContact CB-CB 4.35Å; K84-D133 VanDerWaalsContact CB-CG 3.49Å; K84-D133 WeakPolarHBondContact CB-OD2 3.4Å; K84-D133 PolarHBondContact N-OD2 2.96Å; K84-E250 IonicContact NZ-OE2 2.71Å
85	Y	97	Very high	94.2	Very high	11 Å²	11	27 Å²	27	4%	0.043	14%	0.135	C	C	.	.			trans	-123.3	71.9	-178.2	-51.3	-67.8	0	0	0	110.1	S82 C87 K129 V130 D133 C524 L525	S82-Y85 PolarHBondContact N-O 3.21Å; S82-Y85 CarbonylContact O-C 3.37Å; S82-Y85 PolarHBondContact O-N 3.34Å; S82-Y85 PolarHBondContact OG-N 2.75Å; Y85-C87 PolarHBondContact O-N 3.36Å; Y85-K129 WeakPolarHBondContact OH-CB 3.26Å; Y85-V130 HydrophobicContact CD2-CB 4.49Å; Y85-V130 HydrophobicContact CD2-CG2 4.17Å; Y85-V130 HydrophobicContact CE1-CG2 4.35Å; Y85-V130 HydrophobicContact CE2-CB 4.32Å; Y85-V130 HydrophobicContact CE2-CG2 3.88Å; Y85-D133 HydrophobicContact CD2-CB 4.06Å; Y85-D133 HydrophobicContact CE2-CB 4.05Å; Y85-C524 WeakPolarHBondContact CD1-O 3.38Å; Y85-C524 VanDerWaalsContact CE1-O 3.3Å; Y85-C524 WeakPolarHBondContact CE1-O 3.34Å; Y85-L525 HydrophobicContact CD1-CD2 3.81Å; Y85-L525 HydrophobicContact CG-CD2 4.01Å
86	P	95.1	Very high	93.9	Very high	67 Å²	67	26.8 Å²	26.8	44%	0.435	14%	0.135	S	C	.	.			trans	-79.4	-1.3	-168.6	33	-38.8	0	0	0	114.7	S82 K84 K139	S82-P86 VanDerWaalsContact O-CA 3.28Å; S82-P86 WeakPolarHBondContact O-CA 3.3Å; K84-P86 VanDerWaalsContact C-CD 3.44Å; K84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-K139 HydrophobicContact CB-CD 4.1Å
87	C	92.1	Very high	93.8	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.047	13%	0.134	C	C	.	.	S	Bend	trans	-65.7	152.3	172	66.9	0	0	0	0	110.4	Y85 P90 V522	Y85-C87 PolarHBondContact O-N 3.36Å; C87-P90 WeakPolarHBondContact O-CD 3.42Å; C87-V522 HydrophobicContact CB-CG1 4.31Å
88	R	87.1	Confident	93.7	Very high	18 Å²	18	26.7 Å²	26.7	7%	0.068	13%	0.134	C	C	.	.	S	Bend	trans	-62.1	142.6	176	-172.7	176.6	74.9	-136.4	14.5	110.9	K93 K515 Q516 E520 E860	R88-K93 WeakPolarHBondContact O-CD 3.44Å; R88-K93 WeakPolarHBondContact O-CE 3.47Å; R88-K93 PolarHBondContact O-NZ 3.09Å; R88-K515 PolarHBondContact NH1-O 2.93Å; R88-Q516 PolarHBondContact NH2-O 3.07Å; R88-Q516 VanDerWaalsContact NH2-O 3.09Å; R88-E520 VanDerWaalsContact CB-CD 3.43Å; R88-E520 WeakPolarHBondContact CB-OE1 3.48Å; R88-E520 WeakPolarHBondContact CB-OE2 3.42Å; R88-E520 PolarHBondContact N-OE1 3.27Å; R88-E520 PolarHBondContact N-OE2 3.46Å; R88-E860 IonicContact CZ-OE1 3.78Å; R88-E860 IonicContact CZ-OE2 2.74Å; R88-E860 IonicContact NE-OE1 3.45Å; R88-E860 PolarHBondContact NE-OE1 2.74Å; R88-E860 IonicContact NE-OE2 2.82Å; R88-E860 VanDerWaalsContact NH2-CD 3.3Å; R88-E860 IonicContact NH2-OE1 3.37Å; R88-E860 PolarHBondContact NH2-OE1 3.46Å; R88-E860 VanDerWaalsContact NH2-OE1 3.12Å; R88-E860 IonicContact NH2-OE2 3.24Å; R88-E860 PolarHBondContact NH2-OE2 3.15Å
89	D	88.3	Confident	93.4	Very high	14 Å²	14	27.7 Å²	27.7	8%	0.075	14%	0.138	C	C	.	.			trans	47.6	52.2	169.7	-163.5	1.8	0	0	0	113.9	C80 F91 M92 K93 H855	C80-D89 PolarHBondContact O-N 3.29Å; D89-F91 PolarHBondContact O-N 3.31Å; D89-M92 VanDerWaalsContact CG-CB 3.43Å; D89-M92 VanDerWaalsContact CG-CG 3.42Å; D89-M92 PolarHBondContact O-N 2.9Å; D89-M92 VanDerWaalsContact OD1-CB 3.28Å; D89-M92 WeakPolarHBondContact OD1-CB 3.36Å; D89-M92 WeakPolarHBondContact OD1-CG 3.45Å; D89-M92 PolarHBondContact OD1-N 2.85Å; D89-M92 VanDerWaalsContact OD1-N 3.08Å; D89-M92 WeakPolarHBondContact OD2-CB 3.29Å; D89-M92 WeakPolarHBondContact OD2-CG 3.42Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.47Å; D89-K93 VanDerWaalsContact O-N 3.1Å; D89-H855 IonicContact OD2-CE1 3.42Å; D89-H855 IonicContact OD2-NE2 3.91Å; D89-H855 PolarHBondContact OD2-NE2 3.47Å; D89-H855 VanDerWaalsContact OD2-NE2 3.09Å
90	P	93.5	Very high	93.4	Very high	2 Å²	2	27 Å²	27	1%	0.013	14%	0.135	C	C	.	.	H	α-helix	trans	-56	-31.4	177.1	26.8	-38.9	0	0	0	111.8	L79 C87 K93 M94 L525	L79-P90 WeakPolarHBondContact O-CD 3.43Å; L79-P90 WeakPolarHBondContact O-CG 3.33Å; C87-P90 WeakPolarHBondContact O-CD 3.42Å; P90-K93 PolarHBondContact O-N 2.82Å; P90-M94 VanDerWaalsContact O-CG 3.32Å; P90-M94 WeakPolarHBondContact O-CG 3Å; P90-M94 PolarHBondContact O-N 3.27Å; P90-L525 HydrophobicContact CB-CD1 4.48Å; P90-L525 HydrophobicContact CB-CD2 3.66Å
91	F	92.3	Very high	93.4	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-55.9	177.4	175	-90	0	0	0	111.9	L79 D89 K93 M94 T95 M103 Y131	L79-F91 HydrophobicContact CB-CB 3.82Å; L79-F91 HydrophobicContact CB-CG 4.33Å; L79-F91 HydrophobicContact CD1-CB 4.29Å; L79-F91 HydrophobicContact CD1-CD1 4.27Å; L79-F91 HydrophobicContact CD1-CD2 3.86Å; L79-F91 HydrophobicContact CD1-CE2 4.23Å; L79-F91 HydrophobicContact CD1-CG 3.88Å; L79-F91 HydrophobicContact CD2-CB 4.15Å; L79-F91 HydrophobicContact CD2-CD2 3.95Å; L79-F91 HydrophobicContact CD2-CG 4.28Å; L79-F91 HydrophobicContact CG-CB 4.3Å; L79-F91 HydrophobicContact CG-CD2 4.42Å; L79-F91 HydrophobicContact CG-CG 4.39Å; D89-F91 PolarHBondContact O-N 3.31Å; F91-K93 PolarHBondContact O-N 2.87Å; F91-M94 PolarHBondContact O-N 2.85Å; F91-M94 VanDerWaalsContact O-N 3.08Å; F91-T95 PolarHBondContact O-N 2.98Å; F91-M103 HydrophobicContact CD2-CE 4.44Å; F91-M103 HydrophobicContact CE2-CB 4.41Å; F91-M103 HydrophobicContact CE2-CE 4.43Å; F91-M103 HydrophobicContact CZ-CB 4.39Å; F91-Y131 HydrophobicContact CD2-CE2 4.33Å; F91-Y131 HydrophobicContact CE2-CE2 4.41Å; F91-Y131 AromaticContact CE2-CZ 3.87Å; F91-Y131 VanDerWaalsContact CE2-OH 3.24Å; F91-Y131 WeakPolarHBondContact CE2-OH 3.41Å
92	M	88.6	Confident	93.5	Very high	60 Å²	60	28.8 Å²	28.8	30%	0.296	14%	0.142	S	C	.	.	H	α-helix	trans	-65.1	-30.2	178.1	-66.7	-62.6	-79.1	0	0	111.2	D89 M94 T95 H855	D89-M92 VanDerWaalsContact CG-CB 3.43Å; D89-M92 VanDerWaalsContact CG-CG 3.42Å; D89-M92 PolarHBondContact O-N 2.9Å; D89-M92 VanDerWaalsContact OD1-CB 3.28Å; D89-M92 WeakPolarHBondContact OD1-CB 3.36Å; D89-M92 WeakPolarHBondContact OD1-CG 3.45Å; D89-M92 PolarHBondContact OD1-N 2.85Å; D89-M92 VanDerWaalsContact OD1-N 3.08Å; D89-M92 WeakPolarHBondContact OD2-CB 3.29Å; D89-M92 WeakPolarHBondContact OD2-CG 3.42Å; M92-M94 VanDerWaalsContact C-N 3.34Å; M92-M94 PolarHBondContact O-N 2.91Å; M92-T95 WeakPolarHBondContact O-CB 3.48Å; M92-T95 PolarHBondContact O-N 2.82Å; M92-T95 PolarHBondContact O-OG1 2.86Å; M92-H855 VanDerWaalsContact CE-CE1 3.42Å; M92-H855 WeakPolarHBondContact CE-CE1 3.39Å
93	K	92.1	Very high	93.4	Very high	33 Å²	33	30 Å²	30	14%	0.143	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-32.7	174	-71	168.6	178.1	168.4	0	113.7	R88 D89 P90 F91 T95 H96 R97 E520 V522 L525	R88-K93 WeakPolarHBondContact O-CD 3.44Å; R88-K93 WeakPolarHBondContact O-CE 3.47Å; R88-K93 PolarHBondContact O-NZ 3.09Å; D89-K93 WeakPolarHBondContact O-CG 3.21Å; D89-K93 PolarHBondContact O-N 3.47Å; D89-K93 VanDerWaalsContact O-N 3.1Å; P90-K93 PolarHBondContact O-N 2.82Å; F91-K93 PolarHBondContact O-N 2.87Å; K93-T95 VanDerWaalsContact C-N 3.26Å; K93-T95 PolarHBondContact O-N 2.88Å; K93-H96 WeakPolarHBondContact CA-CE1 3.34Å; K93-H96 PolarHBondContact O-CD2 3.31Å; K93-H96 VanDerWaalsContact O-CD2 3.28Å; K93-H96 PolarHBondContact O-CE1 3.31Å; K93-H96 VanDerWaalsContact O-CE1 3.26Å; K93-H96 PolarHBondContact O-N 2.91Å; K93-H96 PolarHBondContact O-ND1 2.99Å; K93-H96 PolarHBondContact O-NE2 3.09Å; K93-R97 WeakPolarHBondContact O-CD 3.35Å; K93-R97 WeakPolarHBondContact O-CG 3.36Å; K93-E520 IonicContact NZ-OE2 3.81Å; K93-E520 PolarHBondContact NZ-OE2 3.49Å; K93-V522 HydrophobicContact CD-CG1 3.57Å; K93-L525 HydrophobicContact CB-CD1 3.49Å; K93-L525 VanDerWaalsContact CB-CD1 3.49Å; K93-L525 HydrophobicContact CD-CD1 3.81Å; K93-L525 HydrophobicContact CG-CD1 4.3Å
94	M	94.7	Very high	93.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-70.4	-22	176.6	-77.7	-56.3	-61.4	0	0	113.1	P90 F91 M92 H96 R97 S98 M103 N126 L127 V130 L525 P526	P90-M94 VanDerWaalsContact O-CG 3.32Å; P90-M94 WeakPolarHBondContact O-CG 3Å; P90-M94 PolarHBondContact O-N 3.27Å; F91-M94 PolarHBondContact O-N 2.85Å; F91-M94 VanDerWaalsContact O-N 3.08Å; M92-M94 VanDerWaalsContact C-N 3.34Å; M92-M94 PolarHBondContact O-N 2.91Å; M94-H96 PolarHBondContact O-N 3.27Å; M94-H96 VanDerWaalsContact O-N 3.09Å; M94-R97 HydrophobicContact CE-CB 4.28Å; M94-R97 PolarHBondContact O-N 3.1Å; M94-R97 HydrophobicContact SD-CB 3.98Å; M94-S98 WeakPolarHBondContact O-CB 3.48Å; M94-S98 PolarHBondContact O-N 2.88Å; M94-S98 VanDerWaalsContact O-N 3.16Å; M94-S98 PolarHBondContact O-OG 3.38Å; M94-M103 HydrophobicContact CB-CE 3.55Å; M94-N126 HydrophobicContact CE-CB 4.36Å; M94-L127 HydrophobicContact CB-CD2 4.35Å; M94-L127 HydrophobicContact CE-CD2 3.84Å; M94-V130 HydrophobicContact CG-CB 4.47Å; M94-V130 HydrophobicContact CG-CG1 4.06Å; M94-V130 HydrophobicContact CG-CG2 4.12Å; M94-V130 HydrophobicContact SD-CG2 4.2Å; M94-L525 HydrophobicContact SD-CB 4.48Å; M94-P526 HydrophobicContact CE-CG 4.11Å; M94-P526 HydrophobicContact SD-CG 4.05Å; M94-P526 VanDerWaalsContact SD-O 3.37Å
95	T	89.7	Confident	93.5	Very high	46 Å²	46	22.3 Å²	22.3	28%	0.282	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.8	177.6	68.3	0	0	0	0	113.8	F91 M92 K93 M103 Q919	F91-T95 PolarHBondContact O-N 2.98Å; M92-T95 WeakPolarHBondContact O-CB 3.48Å; M92-T95 PolarHBondContact O-N 2.82Å; M92-T95 PolarHBondContact O-OG1 2.86Å; K93-T95 VanDerWaalsContact C-N 3.26Å; K93-T95 PolarHBondContact O-N 2.88Å; T95-M103 HydrophobicContact CG2-CE 4.39Å; T95-Q919 PolarHBondContact O-OE1 3.39Å
96	H	91	Very high	93.5	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.056	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	4.3	176.2	54.8	-99.4	0	0	0	114.3	K93 M94 F851 E912 S916	K93-H96 WeakPolarHBondContact CA-CE1 3.34Å; K93-H96 PolarHBondContact O-CD2 3.31Å; K93-H96 VanDerWaalsContact O-CD2 3.28Å; K93-H96 PolarHBondContact O-CE1 3.31Å; K93-H96 VanDerWaalsContact O-CE1 3.26Å; K93-H96 PolarHBondContact O-N 2.91Å; K93-H96 PolarHBondContact O-ND1 2.99Å; K93-H96 PolarHBondContact O-NE2 3.09Å; M94-H96 PolarHBondContact O-N 3.27Å; M94-H96 VanDerWaalsContact O-N 3.09Å; H96-F851 HydrophobicContact CB-CD1 4.25Å; H96-F851 HydrophobicContact CB-CE1 4.28Å; H96-F851 AromaticContact CE1-CD2 3.83Å; H96-F851 AromaticContact ND1-CD2 3.98Å; H96-F851 AromaticContact ND1-CG 3.83Å; H96-E912 HydrophobicContact CB-CB 4.25Å; H96-E912 IonicContact CD2-OE2 3.12Å; H96-E912 PolarHBondContact CD2-OE2 3.22Å; H96-E912 IonicContact NE2-OE2 3.7Å; H96-E912 PolarHBondContact NE2-OE2 2.85Å; H96-E912 CarbonylContact O-C 3.5Å; H96-E912 WeakPolarHBondContact O-CA 3.36Å; H96-E912 VanDerWaalsContact O-CB 3.31Å; H96-E912 WeakPolarHBondContact O-CB 3.48Å; H96-E912 VanDerWaalsContact O-O 3.08Å; H96-S916 VanDerWaalsContact CA-OG 3.3Å; H96-S916 WeakPolarHBondContact CA-OG 3.49Å; H96-S916 WeakPolarHBondContact CB-OG 3.27Å
97	R	94.6	Very high	93.6	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.045	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-3.3	176.5	-66.9	174.5	-179.6	-88.7	-20.7	112.9	K93 M94 C527 L528 E912	K93-R97 WeakPolarHBondContact O-CD 3.35Å; K93-R97 WeakPolarHBondContact O-CG 3.36Å; M94-R97 HydrophobicContact CE-CB 4.28Å; M94-R97 PolarHBondContact O-N 3.1Å; M94-R97 HydrophobicContact SD-CB 3.98Å; R97-C527 HydrophobicContact CB-CB 4.09Å; R97-C527 HydrophobicContact CG-CB 4.12Å; R97-L528 PolarHBondContact O-N 2.99Å; R97-E912 HydrophobicContact CG-CG 4.11Å; R97-E912 IonicContact CZ-OE1 2.81Å; R97-E912 IonicContact NE-OE1 2.64Å; R97-E912 IonicContact NH1-OE1 3.29Å; R97-E912 PolarHBondContact NH1-OE1 3.07Å; R97-E912 VanDerWaalsContact NH2-CD 3.31Å; R97-E912 IonicContact NH2-OE1 3.42Å; R97-E912 PolarHBondContact NH2-OE1 2.63Å; R97-E912 IonicContact NH2-OE2 4Å; R97-E912 PolarHBondContact NH2-OE2 2.93Å
98	S	94.4	Very high	93.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.			trans	-121.5	166	-175.2	63.7	0	0	0	0	111.7	M94 M103 D123	M94-S98 WeakPolarHBondContact O-CB 3.48Å; M94-S98 PolarHBondContact O-N 2.88Å; M94-S98 VanDerWaalsContact O-N 3.16Å; M94-S98 PolarHBondContact O-OG 3.38Å; S98-M103 PolarHBondContact OG-SD 3.19Å; S98-D123 VanDerWaalsContact CA-OD1 3.23Å; S98-D123 WeakPolarHBondContact CA-OD1 3.36Å; S98-D123 WeakPolarHBondContact CB-OD1 3.43Å
99	Q	92.6	Very high	94.3	Very high	20 Å²	20	23 Å²	23	9%	0.093	12%	0.124	C	C	.	.			trans	-108.7	32.3	164.6	-75.9	-162.1	-50.1	0	0	110.2	T101 D123 L528 V533 D922	Q99-T101 PolarHBondContact O-N 2.83Å; Q99-D123 PolarHBondContact N-OD2 2.94Å; Q99-L528 HydrophobicContact CB-CD1 3.88Å; Q99-L528 HydrophobicContact CG-CD1 3.74Å; Q99-V533 HydrophobicContact CG-CG2 4.5Å; Q99-D922 PolarHBondContact NE2-OD2 3.23Å; Q99-D922 VanDerWaalsContact NE2-OD2 3.11Å
100	A	96.2	Very high	94.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132	-174.7	0	0	0	0	0	111.5	M103 S117 D123 L127 Q919	A100-M103 HydrophobicContact CB-CG 3.5Å; A100-M103 HydrophobicContact CB-SD 3.65Å; A100-S117 CarbonylContact C-O 3.59Å; A100-S117 VanDerWaalsContact CA-O 3.29Å; A100-S117 WeakPolarHBondContact CA-O 3.04Å; A100-D123 PolarHBondContact N-OD2 2.85Å; A100-L127 HydrophobicContact CB-CD1 3.83Å; A100-Q919 WeakPolarHBondContact O-CG 3.28Å; A100-Q919 PolarHBondContact O-NE2 3.15Å
101	T	96.6	Very high	94.9	Very high	11 Å²	11	23.1 Å²	23.1	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-16.8	170.8	62.5	0	0	0	0	111	N53 Q99 S117 M119 Y923 P924	N53-T101 WeakPolarHBondContact OD1-CG2 3.37Å; N53-T101 PolarHBondContact OD1-OG1 3.4Å; Q99-T101 PolarHBondContact O-N 2.83Å; T101-S117 PolarHBondContact N-O 3.44Å; T101-S117 VanDerWaalsContact OG1-C 3.23Å; T101-S117 WeakPolarHBondContact OG1-CB 3.4Å; T101-S117 PolarHBondContact OG1-O 2.86Å; T101-M119 HydrophobicContact CG2-CG 4.22Å; T101-Y923 WeakPolarHBondContact O-CE2 3.45Å; T101-P924 HydrophobicContact CG2-CG 3.71Å
102	F	97.3	Very high	95.2	Very high	34 Å²	34	22 Å²	22	15%	0.149	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	141.7	169.1	-175	-120.5	0	0	0	111.1	N104 P115 F116 S117 L413	F102-N104 HydrophobicContact CE1-CB 3.93Å; F102-N104 HydrophobicContact CE2-CB 3.93Å; F102-N104 HydrophobicContact CZ-CB 3.47Å; F102-N104 VanDerWaalsContact CZ-CB 3.47Å; F102-P115 HydrophobicContact CD1-CB 4.4Å; F102-P115 HydrophobicContact CD1-CG 4.34Å; F102-P115 HydrophobicContact CE1-CB 4.11Å; F102-P115 HydrophobicContact CE1-CG 3.62Å; F102-F116 CarbonylContact O-C 3.51Å; F102-F116 WeakPolarHBondContact O-CA 3.32Å; F102-F116 WeakPolarHBondContact O-CB 3.38Å; F102-S117 PolarHBondContact N-O 2.96Å; F102-S117 PolarHBondContact O-N 2.67Å; F102-L413 HydrophobicContact CB-CD2 3.95Å; F102-L413 HydrophobicContact CD1-CD1 3.48Å; F102-L413 VanDerWaalsContact CD1-CD1 3.48Å; F102-L413 HydrophobicContact CD1-CD2 3.42Å; F102-L413 VanDerWaalsContact CD1-CD2 3.42Å; F102-L413 HydrophobicContact CD1-CG 4.08Å; F102-L413 HydrophobicContact CD2-CD2 3.98Å; F102-L413 HydrophobicContact CE1-CD1 3.41Å; F102-L413 VanDerWaalsContact CE1-CD1 3.41Å; F102-L413 HydrophobicContact CE1-CD2 3.7Å; F102-L413 HydrophobicContact CE1-CG 4.19Å; F102-L413 HydrophobicContact CE2-CD2 4.21Å; F102-L413 HydrophobicContact CG-CD1 4.42Å; F102-L413 HydrophobicContact CG-CD2 3.52Å; F102-L413 HydrophobicContact CZ-CD1 4.33Å; F102-L413 HydrophobicContact CZ-CD2 4.06Å
103	M	96.4	Very high	95.7	Very high	27 Å²	27	19.1 Å²	19.1	13%	0.133	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	126.8	166	-75.1	172.5	66	0	0	106.9	F91 M94 T95 S98 A100 F116 L127 Y131	F91-M103 HydrophobicContact CD2-CE 4.44Å; F91-M103 HydrophobicContact CE2-CB 4.41Å; F91-M103 HydrophobicContact CE2-CE 4.43Å; F91-M103 HydrophobicContact CZ-CB 4.39Å; M94-M103 HydrophobicContact CB-CE 3.55Å; T95-M103 HydrophobicContact CG2-CE 4.39Å; S98-M103 PolarHBondContact OG-SD 3.19Å; A100-M103 HydrophobicContact CB-CG 3.5Å; A100-M103 HydrophobicContact CB-SD 3.65Å; M103-F116 HydrophobicContact CG-CB 4.19Å; M103-L127 HydrophobicContact CE-CD2 3.76Å; M103-L127 HydrophobicContact CG-CD2 4.31Å; M103-L127 HydrophobicContact SD-CD2 3.67Å; M103-Y131 WeakPolarHBondContact CA-OH 3.37Å; M103-Y131 WeakPolarHBondContact CB-OH 3.42Å; M103-Y131 HydrophobicContact CE-CE2 4.15Å
104	N	96.4	Very high	96	Very high	63 Å²	63	17.6 Å²	17.6	34%	0.337	10%	0.097	S	C	.	.			trans	-158	172.7	170.6	-147.4	-5.9	0	0	0	111.1	F102 P115 Y131	F102-N104 HydrophobicContact CE1-CB 3.93Å; F102-N104 HydrophobicContact CE2-CB 3.93Å; F102-N104 HydrophobicContact CZ-CB 3.47Å; F102-N104 VanDerWaalsContact CZ-CB 3.47Å; N104-P115 PolarHBondContact N-O 2.99Å; N104-P115 VanDerWaalsContact O-CD 3.32Å; N104-P115 WeakPolarHBondContact O-CD 3.49Å; N104-Y131 PolarHBondContact N-OH 2.92Å
105	A	97.5	Very high	96.1	Very high	6 Å²	6	17.5 Å²	17.5	5%	0.05	10%	0.097	C	C	.	.			trans	-123.9	152.2	156.5	0	0	0	0	0	108.7	E75 L79 M113 Y114	E75-A105 HydrophobicContact CG-CB 3.57Å; E75-A105 VanDerWaalsContact OE1-CB 3.25Å; E75-A105 WeakPolarHBondContact OE1-CB 3.43Å; L79-A105 HydrophobicContact CD1-CB 3.81Å; A105-M113 WeakPolarHBondContact CA-O 3.23Å; A105-Y114 HydrophobicContact CB-CD1 3.6Å; A105-Y114 HydrophobicContact CB-CE1 3.77Å
106	L	97.8	Very high	96.5	Very high	44 Å²	44	15.3 Å²	15.3	23%	0.23	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.5	-170.7	-60	171.2	0	0	0	109.2	W111 T112 M113 P115 L417	L106-W111 HydrophobicContact CB-CZ3 4.11Å; L106-T112 CarbonylContact O-C 3.5Å; L106-T112 VanDerWaalsContact O-CA 3.27Å; L106-T112 WeakPolarHBondContact O-CA 3.39Å; L106-M113 HydrophobicContact CD1-CE 4.22Å; L106-M113 PolarHBondContact N-O 3.25Å; L106-M113 PolarHBondContact O-N 3.43Å; L106-P115 HydrophobicContact CD1-CG 4.04Å; L106-L417 HydrophobicContact CD1-CD2 3.5Å; L106-L417 VanDerWaalsContact CD1-CD2 3.5Å
107	T	97.7	Very high	96.9	Very high	34 Å²	34	14.8 Å²	14.8	21%	0.209	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.5	169.5	-62.1	0	0	0	0	109.8	F71 H72 E75	F71-T107 HydrophobicContact CB-CG2 4.28Å; H72-T107 HydrophobicContact CB-CG2 4.13Å; E75-T107 WeakPolarHBondContact CB-OG1 3.21Å; E75-T107 WeakPolarHBondContact OE2-CB 3.3Å; E75-T107 PolarHBondContact OE2-N 3.17Å; E75-T107 PolarHBondContact OE2-OG1 2.9Å
108	A	97.1	Very high	97	Very high	25 Å²	25	14.2 Å²	14.2	21%	0.207	8%	0.079	C	C	.	.			trans	-101.5	-167	175	0	0	0	0	0	111.3	D110 W111 S202	A108-D110 VanDerWaalsContact C-N 3.32Å; A108-D110 PolarHBondContact O-N 3.26Å; A108-W111 HydrophobicContact CB-CD2 3.53Å; A108-W111 HydrophobicContact CB-CE3 3.87Å; A108-W111 HydrophobicContact CB-CG 4.12Å; A108-W111 HydrophobicContact CB-CH2 3.69Å; A108-W111 HydrophobicContact CB-CZ2 3.33Å; A108-W111 HydrophobicContact CB-CZ3 3.93Å; A108-W111 PolarHBondContact N-O 3Å; A108-S202 WeakPolarHBondContact O-CB 3.42Å; A108-S202 PolarHBondContact O-OG 3.02Å
109	S	96	Very high	97.1	Very high	15 Å²	15	17.1 Å²	17.1	11%	0.105	9%	0.093	C	C	.	.	S	Bend	trans	-62.6	-33.1	-176	-57.6	0	0	0	0	114.1	P64 Q190	P64-S109 WeakPolarHBondContact CD-O 3.39Å; P64-S109 WeakPolarHBondContact CG-O 3.47Å; S109-Q190 PolarHBondContact OG-NE2 3.36Å
110	D	96.7	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-153.6	19.9	-178.3	58.6	18.2	0	0	0	114.5	T62 A108 Y198 V264 N424 H425	T62-D110 PolarHBondContact N-O 2.87Å; T62-D110 CarbonylContact O-C 3.56Å; T62-D110 WeakPolarHBondContact O-CA 3.16Å; A108-D110 VanDerWaalsContact C-N 3.32Å; A108-D110 PolarHBondContact O-N 3.26Å; D110-Y198 HydrophobicContact CB-CE1 4.04Å; D110-Y198 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y198 PolarHBondContact OD2-OH 3.47Å; D110-V264 HydrophobicContact CB-CG2 4.07Å; D110-N424 VanDerWaalsContact CG-ND2 3.34Å; D110-N424 PolarHBondContact O-ND2 3.22Å; D110-N424 VanDerWaalsContact O-ND2 3.14Å; D110-N424 PolarHBondContact OD1-ND2 2.88Å; D110-H425 IonicContact OD1-CE1 3.03Å; D110-H425 IonicContact OD1-NE2 3.9Å; D110-H425 IonicContact OD2-CE1 3.71Å; D110-H425 PolarHBondContact OD2-CE1 3.29Å; D110-H425 IonicContact OD2-NE2 3.39Å; D110-H425 PolarHBondContact OD2-NE2 3.16Å
111	W	97.3	Very high	97	Very high	18 Å²	18	22.3 Å²	22.3	7%	0.068	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.6	171.4	57.7	-97	0	0	0	111.4	Q59 L60 T62 L106 A108 M113 S420 N421 N424	Q59-W111 HydrophobicContact CG-CB 4.08Å; Q59-W111 HydrophobicContact CG-CE3 4.35Å; Q59-W111 HydrophobicContact CG-CG 4.44Å; L60-W111 CarbonylContact O-C 3.58Å; L60-W111 VanDerWaalsContact O-CA 3.24Å; L60-W111 WeakPolarHBondContact O-CA 3.32Å; L60-W111 WeakPolarHBondContact O-CB 3.42Å; T62-W111 WeakPolarHBondContact OG1-CA 3.44Å; T62-W111 PolarHBondContact OG1-N 3.42Å; L106-W111 HydrophobicContact CB-CZ3 4.11Å; A108-W111 HydrophobicContact CB-CD2 3.53Å; A108-W111 HydrophobicContact CB-CE3 3.87Å; A108-W111 HydrophobicContact CB-CG 4.12Å; A108-W111 HydrophobicContact CB-CH2 3.69Å; A108-W111 HydrophobicContact CB-CZ2 3.33Å; A108-W111 HydrophobicContact CB-CZ3 3.93Å; A108-W111 PolarHBondContact N-O 3Å; W111-M113 HydrophobicContact CE3-CB 3.82Å; W111-M113 HydrophobicContact CE3-CE 4.17Å; W111-M113 HydrophobicContact CH2-CE 3.58Å; W111-M113 HydrophobicContact CZ2-CE 4.5Å; W111-M113 HydrophobicContact CZ3-CB 3.6Å; W111-M113 HydrophobicContact CZ3-CE 3.39Å; W111-S420 WeakPolarHBondContact CZ2-OG 3.49Å; W111-N421 PolarHBondContact NE1-OD1 2.76Å; W111-N424 HydrophobicContact CB-CB 4.5Å
112	T	98.3	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.3	174.1	-57.5	0	0	0	0	108	Q59 L60 T62 E75 L106 Y114	Q59-T112 CarbonylContact C-O 3.58Å; Q59-T112 WeakPolarHBondContact CA-O 3.47Å; L60-T112 PolarHBondContact N-O 3.39Å; L60-T112 PolarHBondContact O-N 3.37Å; T62-T112 WeakPolarHBondContact CG2-OG1 3.47Å; T62-T112 PolarHBondContact OG1-N 3.48Å; T62-T112 PolarHBondContact OG1-OG1 3Å; E75-T112 HydrophobicContact CB-CG2 3.96Å; E75-T112 HydrophobicContact CG-CG2 3.88Å; L106-T112 CarbonylContact O-C 3.5Å; L106-T112 VanDerWaalsContact O-CA 3.27Å; L106-T112 WeakPolarHBondContact O-CA 3.39Å; T112-Y114 HydrophobicContact CG2-CE2 3.9Å
113	M	98.6	Very high	96.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.5	-174.7	-168	-165.2	-17.9	0	0	111.5	V58 Q59 A105 L106 W111 P115 I416 L417	V58-M113 WeakPolarHBondContact O-CA 3.41Å; Q59-M113 HydrophobicContact CB-CB 4.42Å; Q59-M113 HydrophobicContact CB-CG 4.14Å; Q59-M113 HydrophobicContact CG-CB 4.41Å; A105-M113 WeakPolarHBondContact CA-O 3.23Å; L106-M113 HydrophobicContact CD1-CE 4.22Å; L106-M113 PolarHBondContact N-O 3.25Å; L106-M113 PolarHBondContact O-N 3.43Å; W111-M113 HydrophobicContact CE3-CB 3.82Å; W111-M113 HydrophobicContact CE3-CE 4.17Å; W111-M113 HydrophobicContact CH2-CE 3.58Å; W111-M113 HydrophobicContact CZ2-CE 4.5Å; W111-M113 HydrophobicContact CZ3-CB 3.6Å; W111-M113 HydrophobicContact CZ3-CE 3.39Å; M113-P115 VanDerWaalsContact C-CD 3.42Å; M113-P115 HydrophobicContact CG-CG 4.5Å; M113-P115 VanDerWaalsContact O-CD 3.26Å; M113-P115 WeakPolarHBondContact O-CD 3.39Å; M113-P115 HydrophobicContact SD-CB 4.07Å; M113-P115 HydrophobicContact SD-CG 4.18Å; M113-I416 HydrophobicContact SD-CG1 3.98Å; M113-L417 HydrophobicContact CE-CD2 3.97Å
114	Y	98.6	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	82.6	174.5	-55.4	-91.9	0	0	0	110.4	S57 V58 L60 E75 V78 L79 A105 T112 Y131 V135 Y225	S57-Y114 WeakPolarHBondContact CA-O 3.42Å; V58-Y114 HydrophobicContact CG1-CD2 4.14Å; V58-Y114 HydrophobicContact CG1-CG 4.49Å; V58-Y114 PolarHBondContact N-O 3.04Å; V58-Y114 PolarHBondContact O-N 3.41Å; L60-Y114 HydrophobicContact CD1-CE2 4.32Å; E75-Y114 WeakPolarHBondContact CA-OH 3.37Å; E75-Y114 HydrophobicContact CG-CE1 4.06Å; V78-Y114 HydrophobicContact CG2-CE1 3.74Å; V78-Y114 WeakPolarHBondContact CG2-OH 3.19Å; L79-Y114 HydrophobicContact CD2-CD1 4.12Å; L79-Y114 HydrophobicContact CD2-CE1 4.17Å; L79-Y114 HydrophobicContact CG-CE1 4.31Å; A105-Y114 HydrophobicContact CB-CD1 3.6Å; A105-Y114 HydrophobicContact CB-CE1 3.77Å; T112-Y114 HydrophobicContact CG2-CE2 3.9Å; Y114-Y131 WeakPolarHBondContact O-CD1 3.41Å; Y114-V135 HydrophobicContact CD1-CG2 4.2Å; Y114-V135 HydrophobicContact CD2-CG2 3.48Å; Y114-V135 VanDerWaalsContact CD2-CG2 3.48Å; Y114-V135 HydrophobicContact CE1-CG2 4.43Å; Y114-V135 HydrophobicContact CE2-CG2 3.76Å; Y114-V135 HydrophobicContact CG-CG2 3.72Å; Y114-Y225 HydrophobicContact CE2-CE1 4.04Å; Y114-Y225 WeakPolarHBondContact OH-CE1 3.32Å; Y114-Y225 PolarHBondContact OH-OH 2.94Å
115	P	98.3	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	146.2	178.6	34.6	-37	0	0	0	113.8	F56 F102 N104 L106 M113 Y131 L413	F56-P115 WeakPolarHBondContact O-CA 3.25Å; F102-P115 HydrophobicContact CD1-CB 4.4Å; F102-P115 HydrophobicContact CD1-CG 4.34Å; F102-P115 HydrophobicContact CE1-CB 4.11Å; F102-P115 HydrophobicContact CE1-CG 3.62Å; N104-P115 PolarHBondContact N-O 2.99Å; N104-P115 VanDerWaalsContact O-CD 3.32Å; N104-P115 WeakPolarHBondContact O-CD 3.49Å; L106-P115 HydrophobicContact CD1-CG 4.04Å; M113-P115 VanDerWaalsContact C-CD 3.42Å; M113-P115 HydrophobicContact CG-CG 4.5Å; M113-P115 VanDerWaalsContact O-CD 3.26Å; M113-P115 WeakPolarHBondContact O-CD 3.39Å; M113-P115 HydrophobicContact SD-CB 4.07Å; M113-P115 HydrophobicContact SD-CG 4.18Å; P115-Y131 PolarHBondContact O-OH 3.26Å; P115-L413 HydrophobicContact CB-CD1 4.21Å
116	F	98.4	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.8	161.2	70.8	-99.2	0	0	0	111.4	T55 F56 F102 M103 T118 F124 L127 L128 Y131	T55-F116 WeakPolarHBondContact CA-O 3.23Å; T55-F116 WeakPolarHBondContact CG2-O 3.23Å; F56-F116 HydrophobicContact CB-CD1 4.17Å; F56-F116 HydrophobicContact CB-CE1 3.6Å; F56-F116 HydrophobicContact CB-CE2 4.01Å; F56-F116 HydrophobicContact CB-CZ 3.5Å; F56-F116 VanDerWaalsContact CB-CZ 3.5Å; F56-F116 AromaticContact CD1-CD1 3.82Å; F56-F116 HydrophobicContact CD1-CD1 3.82Å; F56-F116 AromaticContact CD1-CE1 3.29Å; F56-F116 HydrophobicContact CD1-CE1 3.29Å; F56-F116 HydrophobicContact CD1-CZ 4.03Å; F56-F116 HydrophobicContact CE1-CE1 4.21Å; F56-F116 HydrophobicContact CG-CD1 4.44Å; F56-F116 AromaticContact CG-CE1 3.72Å; F56-F116 HydrophobicContact CG-CE1 3.72Å; F56-F116 AromaticContact CG-CZ 3.98Å; F56-F116 HydrophobicContact CG-CZ 3.98Å; F56-F116 PolarHBondContact N-O 3.2Å; F56-F116 PolarHBondContact O-N 2.9Å; F102-F116 CarbonylContact O-C 3.51Å; F102-F116 WeakPolarHBondContact O-CA 3.32Å; F102-F116 WeakPolarHBondContact O-CB 3.38Å; M103-F116 HydrophobicContact CG-CB 4.19Å; F116-T118 HydrophobicContact CE2-CG2 4.43Å; F116-F124 AromaticContact CE2-CD2 3.65Å; F116-F124 HydrophobicContact CE2-CD2 3.65Å; F116-F124 AromaticContact CE2-CE2 3.94Å; F116-F124 HydrophobicContact CE2-CE2 3.94Å; F116-F124 HydrophobicContact CE2-CG 4.23Å; F116-F124 HydrophobicContact CZ-CD2 4.18Å; F116-F124 HydrophobicContact CZ-CE2 4.17Å; F116-L127 HydrophobicContact CB-CD1 4.41Å; F116-L127 HydrophobicContact CD1-CB 3.96Å; F116-L127 HydrophobicContact CD2-CB 3.8Å; F116-L127 HydrophobicContact CD2-CD1 3.66Å; F116-L127 HydrophobicContact CD2-CG 4.38Å; F116-L127 HydrophobicContact CE1-CB 3.82Å; F116-L127 HydrophobicContact CE2-CB 3.69Å; F116-L127 HydrophobicContact CE2-CD1 4.12Å; F116-L127 HydrophobicContact CG-CB 3.94Å; F116-L127 HydrophobicContact CG-CD1 4.12Å; F116-L127 HydrophobicContact CZ-CB 3.7Å; F116-L128 HydrophobicContact CE1-CB 4.47Å; F116-L128 HydrophobicContact CZ-CB 4.11Å; F116-Y131 HydrophobicContact CB-CE1 4.34Å; F116-Y131 HydrophobicContact CB-CE2 4.35Å; F116-Y131 HydrophobicContact CD1-CD1 4.03Å; F116-Y131 HydrophobicContact CD1-CD2 4.04Å; F116-Y131 HydrophobicContact CD1-CE1 4.18Å; F116-Y131 HydrophobicContact CD1-CE2 4.18Å; F116-Y131 AromaticContact CD1-CG 3.96Å; F116-Y131 HydrophobicContact CD1-CG 3.96Å; F116-Y131 HydrophobicContact CE1-CG 4.4Å
117	S	98.4	Very high	96.9	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.4	170.9	-60.2	0	0	0	0	111	K54 T55 A100 T101 F102	K54-S117 CarbonylContact O-C 3.15Å; K54-S117 WeakPolarHBondContact O-CA 3.28Å; K54-S117 WeakPolarHBondContact O-CB 3.43Å; T55-S117 WeakPolarHBondContact CB-OG 3.43Å; T55-S117 WeakPolarHBondContact CG2-OG 3.42Å; T55-S117 PolarHBondContact OG1-OG 3.14Å; A100-S117 CarbonylContact C-O 3.59Å; A100-S117 VanDerWaalsContact CA-O 3.29Å; A100-S117 WeakPolarHBondContact CA-O 3.04Å; T101-S117 PolarHBondContact N-O 3.44Å; T101-S117 VanDerWaalsContact OG1-C 3.23Å; T101-S117 WeakPolarHBondContact OG1-CB 3.4Å; T101-S117 PolarHBondContact OG1-O 2.86Å; F102-S117 PolarHBondContact N-O 2.96Å; F102-S117 PolarHBondContact O-N 2.67Å
118	T	97.1	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	148.6	178	-175	0	0	0	0	111.2	K54 F116 N120 D123 F124 L127	K54-T118 PolarHBondContact N-O 3.5Å; K54-T118 PolarHBondContact O-N 2.89Å; F116-T118 HydrophobicContact CE2-CG2 4.43Å; T118-N120 PolarHBondContact OG1-N 3.04Å; T118-D123 HydrophobicContact CG2-CB 4.19Å; T118-D123 PolarHBondContact OG1-OD2 2.79Å; T118-F124 HydrophobicContact CG2-CB 3.68Å; T118-F124 HydrophobicContact CG2-CD2 4.23Å; T118-F124 HydrophobicContact CG2-CG 4.47Å; T118-L127 HydrophobicContact CG2-CD1 4.33Å
119	M	95.1	Very high	96.9	Very high	60 Å²	60	19.1 Å²	19.1	30%	0.296	10%	0.099	S	C	.	.	S	Bend	trans	-84.5	-21.7	173.1	-67.1	179.3	64.3	0	0	112.5	P52 N53 K54 T101 P924	P52-M119 HydrophobicContact CB-CE 4.3Å; P52-M119 HydrophobicContact CG-CE 4.04Å; P52-M119 WeakPolarHBondContact O-CA 3.42Å; N53-M119 HydrophobicContact CB-CG 4.02Å; K54-M119 PolarHBondContact NZ-O 3.05Å; T101-M119 HydrophobicContact CG2-CG 4.22Å; M119-P924 HydrophobicContact CG-CG 4.17Å; M119-P924 HydrophobicContact SD-CB 3.84Å; M119-P924 HydrophobicContact SD-CG 3.59Å; M119-P924 VanDerWaalsContact SD-CG 3.59Å
120	N	94.6	Very high	97	Very high	25 Å²	25	18.6 Å²	18.6	13%	0.134	10%	0.095	C	C	.	.			trans	-90.1	131	-172.6	-177.8	-58.7	0	0	0	111.5	T118 T122 D123 F124 D532	T118-N120 PolarHBondContact OG1-N 3.04Å; N120-T122 WeakPolarHBondContact OD1-CA 3.47Å; N120-T122 WeakPolarHBondContact OD1-CB 3.47Å; N120-T122 PolarHBondContact OD1-N 3.04Å; N120-D123 HydrophobicContact CB-CB 3.7Å; N120-D123 PolarHBondContact O-N 2.76Å; N120-D123 PolarHBondContact OD1-N 3.38Å; N120-F124 WeakPolarHBondContact O-CB 3.36Å; N120-F124 PolarHBondContact O-N 3.05Å; N120-D532 PolarHBondContact ND2-O 2.83Å; N120-D532 VanDerWaalsContact ND2-O 3.15Å
121	D	93.9	Very high	97.1	Very high	106 Å²	106	18.7 Å²	18.7	57%	0.567	10%	0.096	S	C	*	.	H	α-helix	trans	-70.7	-40.1	-176.6	-67.7	-36.6	0	0	0	113.1	K54 D123 F124 Q125	K54-D121 WeakPolarHBondContact CE-OD1 3.43Å; K54-D121 IonicContact NZ-OD1 3.38Å; K54-D121 PolarHBondContact NZ-OD1 2.82Å; D121-D123 VanDerWaalsContact C-N 3.32Å; D121-F124 PolarHBondContact O-N 2.86Å; D121-Q125 WeakPolarHBondContact O-CG 3.49Å; D121-Q125 PolarHBondContact O-N 3.21Å
122	T	95.1	Very high	97.1	Very high	65 Å²	65	17.9 Å²	17.9	40%	0.399	9%	0.093	S	C	.	.	H	α-helix	trans	-62.8	-43.4	174.7	-57.5	0	0	0	0	110.1	N120 F124 Q125 N126 L528	N120-T122 WeakPolarHBondContact OD1-CA 3.47Å; N120-T122 WeakPolarHBondContact OD1-CB 3.47Å; N120-T122 PolarHBondContact OD1-N 3.04Å; T122-F124 PolarHBondContact O-N 3.4Å; T122-Q125 PolarHBondContact O-N 3.11Å; T122-N126 PolarHBondContact O-N 2.64Å; T122-N126 PolarHBondContact O-ND2 3.08Å; T122-L528 HydrophobicContact CG2-CD2 3.86Å
123	D	96.2	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-42.1	178.7	-160.2	30.2	0	0	0	112	S98 Q99 A100 T118 N120 D121 Q125 N126 L127 L528	S98-D123 VanDerWaalsContact CA-OD1 3.23Å; S98-D123 WeakPolarHBondContact CA-OD1 3.36Å; S98-D123 WeakPolarHBondContact CB-OD1 3.43Å; Q99-D123 PolarHBondContact N-OD2 2.94Å; A100-D123 PolarHBondContact N-OD2 2.85Å; T118-D123 HydrophobicContact CG2-CB 4.19Å; T118-D123 PolarHBondContact OG1-OD2 2.79Å; N120-D123 HydrophobicContact CB-CB 3.7Å; N120-D123 PolarHBondContact O-N 2.76Å; N120-D123 PolarHBondContact OD1-N 3.38Å; D121-D123 VanDerWaalsContact C-N 3.32Å; D123-Q125 VanDerWaalsContact C-N 3.28Å; D123-Q125 PolarHBondContact O-N 3.29Å; D123-N126 WeakPolarHBondContact O-CB 3.24Å; D123-N126 PolarHBondContact O-N 2.86Å; D123-N126 VanDerWaalsContact O-N 3.1Å; D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 WeakPolarHBondContact O-CG 3.17Å; D123-L127 PolarHBondContact O-N 2.93Å; D123-L528 HydrophobicContact CB-CD1 3.83Å; D123-L528 HydrophobicContact CB-CD2 3.95Å; D123-L528 HydrophobicContact CB-CG 4.12Å
124	F	97.2	Very high	97.1	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-56.6	-45	176.2	-178.2	-84.5	0	0	0	111	K54 F56 F116 T118 N120 D121 T122 L128 T234 V238	K54-F124 HydrophobicContact CB-CD2 3.66Å; K54-F124 HydrophobicContact CB-CE2 3.89Å; K54-F124 HydrophobicContact CD-CD2 4.09Å; K54-F124 HydrophobicContact CD-CG 4.28Å; F56-F124 HydrophobicContact CB-CE2 3.96Å; F56-F124 HydrophobicContact CB-CZ 4.1Å; F116-F124 AromaticContact CE2-CD2 3.65Å; F116-F124 HydrophobicContact CE2-CD2 3.65Å; F116-F124 AromaticContact CE2-CE2 3.94Å; F116-F124 HydrophobicContact CE2-CE2 3.94Å; F116-F124 HydrophobicContact CE2-CG 4.23Å; F116-F124 HydrophobicContact CZ-CD2 4.18Å; F116-F124 HydrophobicContact CZ-CE2 4.17Å; T118-F124 HydrophobicContact CG2-CB 3.68Å; T118-F124 HydrophobicContact CG2-CD2 4.23Å; T118-F124 HydrophobicContact CG2-CG 4.47Å; N120-F124 WeakPolarHBondContact O-CB 3.36Å; N120-F124 PolarHBondContact O-N 3.05Å; D121-F124 PolarHBondContact O-N 2.86Å; T122-F124 PolarHBondContact O-N 3.4Å; F124-L128 HydrophobicContact CE1-CD2 4.31Å; F124-L128 WeakPolarHBondContact O-CB 3.39Å; F124-L128 PolarHBondContact O-N 2.97Å; F124-T234 HydrophobicContact CZ-CG2 4.19Å; F124-V238 HydrophobicContact CD2-CG2 4.48Å; F124-V238 HydrophobicContact CE1-CG1 4.04Å; F124-V238 HydrophobicContact CE2-CG2 3.73Å; F124-V238 HydrophobicContact CZ-CB 4.47Å; F124-V238 HydrophobicContact CZ-CG1 3.78Å; F124-V238 HydrophobicContact CZ-CG2 3.77Å
125	Q	96.5	Very high	97	Very high	28 Å²	28	18.1 Å²	18.1	13%	0.131	9%	0.094	C	C	.	.	H	α-helix	trans	-67.8	-36.2	177.7	-63.3	-59.5	-44.2	0	0	112.4	D121 T122 D123 K129 Q242	D121-Q125 WeakPolarHBondContact O-CG 3.49Å; D121-Q125 PolarHBondContact O-N 3.21Å; T122-Q125 PolarHBondContact O-N 3.11Å; D123-Q125 VanDerWaalsContact C-N 3.28Å; D123-Q125 PolarHBondContact O-N 3.29Å; Q125-K129 VanDerWaalsContact O-CD 3.3Å; Q125-K129 WeakPolarHBondContact O-CD 3.15Å; Q125-K129 WeakPolarHBondContact O-CG 3.32Å; Q125-K129 PolarHBondContact O-N 2.99Å; Q125-Q242 VanDerWaalsContact CD-NE2 3.33Å
126	N	96.9	Very high	97	Very high	18 Å²	18	18.4 Å²	18.4	10%	0.096	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-51	176.7	-70.2	-19.6	0	0	0	111.2	M94 T122 D123 K129 V130 P526	M94-N126 HydrophobicContact CE-CB 4.36Å; T122-N126 PolarHBondContact O-N 2.64Å; T122-N126 PolarHBondContact O-ND2 3.08Å; D123-N126 WeakPolarHBondContact O-CB 3.24Å; D123-N126 PolarHBondContact O-N 2.86Å; D123-N126 VanDerWaalsContact O-N 3.1Å; N126-K129 PolarHBondContact O-N 3.42Å; N126-V130 WeakPolarHBondContact O-CG2 3.16Å; N126-V130 PolarHBondContact O-N 3Å; N126-V130 VanDerWaalsContact O-N 3.16Å; N126-P526 HydrophobicContact CB-CB 3.78Å; N126-P526 HydrophobicContact CB-CG 3.74Å; N126-P526 VanDerWaalsContact CG-CB 3.44Å; N126-P526 WeakPolarHBondContact OD1-CB 3.45Å
127	L	97.7	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.2	-41.4	179.8	-66.8	170.2	0	0	0	111.9	M94 A100 M103 F116 T118 D123 K129 V130 Y131	M94-L127 HydrophobicContact CB-CD2 4.35Å; M94-L127 HydrophobicContact CE-CD2 3.84Å; A100-L127 HydrophobicContact CB-CD1 3.83Å; M103-L127 HydrophobicContact CE-CD2 3.76Å; M103-L127 HydrophobicContact CG-CD2 4.31Å; M103-L127 HydrophobicContact SD-CD2 3.67Å; F116-L127 HydrophobicContact CB-CD1 4.41Å; F116-L127 HydrophobicContact CD1-CB 3.96Å; F116-L127 HydrophobicContact CD2-CB 3.8Å; F116-L127 HydrophobicContact CD2-CD1 3.66Å; F116-L127 HydrophobicContact CD2-CG 4.38Å; F116-L127 HydrophobicContact CE1-CB 3.82Å; F116-L127 HydrophobicContact CE2-CB 3.69Å; F116-L127 HydrophobicContact CE2-CD1 4.12Å; F116-L127 HydrophobicContact CG-CB 3.94Å; F116-L127 HydrophobicContact CG-CD1 4.12Å; F116-L127 HydrophobicContact CZ-CB 3.7Å; T118-L127 HydrophobicContact CG2-CD1 4.33Å; D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 WeakPolarHBondContact O-CG 3.17Å; D123-L127 PolarHBondContact O-N 2.93Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 3.34Å; L127-V130 PolarHBondContact O-N 3.19Å; L127-Y131 HydrophobicContact CD2-CE2 4.46Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 WeakPolarHBondContact O-CD2 3.34Å; L127-Y131 PolarHBondContact O-N 3.13Å
128	L	97.7	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-53.9	-47.9	175	-179.8	64.7	0	0	0	111.4	F56 F116 F124 L132 Y246	F56-L128 HydrophobicContact CD1-CD1 4.19Å; F56-L128 HydrophobicContact CD2-CD1 3.61Å; F56-L128 HydrophobicContact CE1-CD1 4Å; F56-L128 HydrophobicContact CE2-CD1 3.41Å; F56-L128 VanDerWaalsContact CE2-CD1 3.41Å; F56-L128 HydrophobicContact CG-CD1 4Å; F56-L128 HydrophobicContact CZ-CD1 3.61Å; F116-L128 HydrophobicContact CE1-CB 4.47Å; F116-L128 HydrophobicContact CZ-CB 4.11Å; F124-L128 HydrophobicContact CE1-CD2 4.31Å; F124-L128 WeakPolarHBondContact O-CB 3.39Å; F124-L128 PolarHBondContact O-N 2.97Å; L128-L132 HydrophobicContact CD1-CD1 3.65Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 3.85Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CD1 3.43Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 2.95Å; L128-L132 VanDerWaalsContact O-N 3.08Å; L128-Y246 HydrophobicContact CD2-CD1 4.06Å; L128-Y246 HydrophobicContact CG-CD1 4.27Å
129	K	97.3	Very high	96.8	Very high	62 Å²	62	26.6 Å²	26.6	27%	0.27	13%	0.132	S	C	.	.	H	α-helix	trans	-63	-45.2	179.3	-68.7	164.8	-176.7	171.4	0	112.1	Y85 Q125 N126 L127 D133 Y246	Y85-K129 WeakPolarHBondContact OH-CB 3.26Å; Q125-K129 VanDerWaalsContact O-CD 3.3Å; Q125-K129 WeakPolarHBondContact O-CD 3.15Å; Q125-K129 WeakPolarHBondContact O-CG 3.32Å; Q125-K129 PolarHBondContact O-N 2.99Å; N126-K129 PolarHBondContact O-N 3.42Å; L127-K129 VanDerWaalsContact C-N 3.3Å; L127-K129 PolarHBondContact O-N 3.34Å; K129-D133 PolarHBondContact O-N 3.34Å; K129-Y246 HydrophobicContact CG-CE1 3.9Å; K129-Y246 HydrophobicContact CG-CE2 4.07Å
130	V	97.8	Very high	96.9	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	12%	0.12	C	C	.	.	H	α-helix	trans	-66.8	-47.3	-178.2	175.2	0	0	0	0	111.2	Y85 M94 N126 L127 D133 A134 P526	Y85-V130 HydrophobicContact CD2-CB 4.49Å; Y85-V130 HydrophobicContact CD2-CG2 4.17Å; Y85-V130 HydrophobicContact CE1-CG2 4.35Å; Y85-V130 HydrophobicContact CE2-CB 4.32Å; Y85-V130 HydrophobicContact CE2-CG2 3.88Å; M94-V130 HydrophobicContact CG-CB 4.47Å; M94-V130 HydrophobicContact CG-CG1 4.06Å; M94-V130 HydrophobicContact CG-CG2 4.12Å; M94-V130 HydrophobicContact SD-CG2 4.2Å; N126-V130 WeakPolarHBondContact O-CG2 3.16Å; N126-V130 PolarHBondContact O-N 3Å; N126-V130 VanDerWaalsContact O-N 3.16Å; L127-V130 PolarHBondContact O-N 3.19Å; V130-D133 PolarHBondContact O-N 3.01Å; V130-A134 VanDerWaalsContact O-CB 3.31Å; V130-A134 WeakPolarHBondContact O-CB 3.36Å; V130-A134 PolarHBondContact O-N 3.46Å; V130-P526 HydrophobicContact CG2-CG 3.92Å
131	Y	97.9	Very high	97	Very high	3 Å²	3	26 Å²	26	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-43.7	-179.8	-87.5	-121.4	0	0	0	111.9	F91 M103 N104 Y114 P115 F116 L127 A134 V135	F91-Y131 HydrophobicContact CD2-CE2 4.33Å; F91-Y131 HydrophobicContact CE2-CE2 4.41Å; F91-Y131 AromaticContact CE2-CZ 3.87Å; F91-Y131 VanDerWaalsContact CE2-OH 3.24Å; F91-Y131 WeakPolarHBondContact CE2-OH 3.41Å; M103-Y131 WeakPolarHBondContact CA-OH 3.37Å; M103-Y131 WeakPolarHBondContact CB-OH 3.42Å; M103-Y131 HydrophobicContact CE-CE2 4.15Å; N104-Y131 PolarHBondContact N-OH 2.92Å; Y114-Y131 WeakPolarHBondContact O-CD1 3.41Å; P115-Y131 PolarHBondContact O-OH 3.26Å; F116-Y131 HydrophobicContact CB-CE1 4.34Å; F116-Y131 HydrophobicContact CB-CE2 4.35Å; F116-Y131 HydrophobicContact CD1-CD1 4.03Å; F116-Y131 HydrophobicContact CD1-CD2 4.04Å; F116-Y131 HydrophobicContact CD1-CE1 4.18Å; F116-Y131 HydrophobicContact CD1-CE2 4.18Å; F116-Y131 AromaticContact CD1-CG 3.96Å; F116-Y131 HydrophobicContact CD1-CG 3.96Å; F116-Y131 HydrophobicContact CE1-CG 4.4Å; L127-Y131 HydrophobicContact CD2-CE2 4.46Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 WeakPolarHBondContact O-CD2 3.34Å; L127-Y131 PolarHBondContact O-N 3.13Å; Y131-A134 PolarHBondContact O-N 2.95Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.16Å; Y131-V135 PolarHBondContact O-N 3.23Å
132	L	98.1	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-179.6	-72.2	172.7	0	0	0	112.8	F56 L128 V135 F136 F232 Y246 L247 Y251	F56-L132 HydrophobicContact CZ-CD2 3.98Å; F56-L132 HydrophobicContact CZ-CG 4.4Å; L128-L132 HydrophobicContact CD1-CD1 3.65Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 3.85Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CD1 3.43Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 2.95Å; L128-L132 VanDerWaalsContact O-N 3.08Å; L132-V135 PolarHBondContact O-N 3.41Å; L132-F136 HydrophobicContact CD2-CD2 4.19Å; L132-F136 HydrophobicContact CD2-CE2 3.91Å; L132-F136 WeakPolarHBondContact O-CD2 3.09Å; L132-F136 PolarHBondContact O-N 2.83Å; L132-F232 HydrophobicContact CD2-CD1 4.45Å; L132-F232 HydrophobicContact CD2-CE1 3.62Å; L132-F232 HydrophobicContact CD2-CZ 4.42Å; L132-Y246 HydrophobicContact CD1-CD1 3.84Å; L132-Y246 HydrophobicContact CD1-CE1 3.75Å; L132-L247 HydrophobicContact CD1-CD2 3.55Å; L132-L247 HydrophobicContact CD1-CG 4.3Å; L132-L247 HydrophobicContact CD2-CD2 3.53Å; L132-L247 HydrophobicContact CG-CD2 4.21Å; L132-Y251 HydrophobicContact CB-CD2 4.26Å; L132-Y251 HydrophobicContact CB-CE1 4.4Å; L132-Y251 HydrophobicContact CB-CE2 3.63Å; L132-Y251 HydrophobicContact CD1-CD2 4.25Å; L132-Y251 HydrophobicContact CD1-CE2 3.97Å; L132-Y251 HydrophobicContact CG-CE2 4.41Å
133	D	97.9	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	11%	0.107	C	C	.	.	H	α-helix	trans	-70.7	-37.3	178.8	-156.8	69.1	0	0	0	111.2	S82 Q83 K84 Y85 K129 V130 R137 Y251	S82-D133 WeakPolarHBondContact CB-O 3.49Å; S82-D133 WeakPolarHBondContact CB-OD2 3.46Å; S82-D133 PolarHBondContact OG-OD2 3.32Å; Q83-D133 PolarHBondContact N-OD2 2.88Å; K84-D133 WeakPolarHBondContact CA-OD2 3.29Å; K84-D133 HydrophobicContact CB-CB 4.35Å; K84-D133 VanDerWaalsContact CB-CG 3.49Å; K84-D133 WeakPolarHBondContact CB-OD2 3.4Å; K84-D133 PolarHBondContact N-OD2 2.96Å; Y85-D133 HydrophobicContact CD2-CB 4.06Å; Y85-D133 HydrophobicContact CE2-CB 4.05Å; K129-D133 PolarHBondContact O-N 3.34Å; V130-D133 PolarHBondContact O-N 3.01Å; D133-R137 CarbonylContact O-C 3.35Å; D133-R137 VanDerWaalsContact O-CA 3.28Å; D133-R137 WeakPolarHBondContact O-CA 3.32Å; D133-R137 PolarHBondContact O-N 3.04Å; D133-Y251 WeakPolarHBondContact CB-OH 3.43Å; D133-Y251 PolarHBondContact N-OH 3.24Å
134	A	97.6	Very high	97.1	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-46.5	172.2	0	0	0	0	0	111.8	L79 V130 Y131 P138	L79-A134 HydrophobicContact CD2-CB 4.14Å; V130-A134 VanDerWaalsContact O-CB 3.31Å; V130-A134 WeakPolarHBondContact O-CB 3.36Å; V130-A134 PolarHBondContact O-N 3.46Å; Y131-A134 PolarHBondContact O-N 2.95Å; A134-P138 VanDerWaalsContact O-CB 3.27Å; A134-P138 WeakPolarHBondContact O-CB 3.39Å; A134-P138 VanDerWaalsContact O-CD 3.3Å; A134-P138 WeakPolarHBondContact O-CD 3.4Å; A134-P138 WeakPolarHBondContact O-CG 3.21Å
135	V	97.8	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70.7	-49.9	-178	172.1	0	0	0	0	112	V58 L60 Y114 Y131 L132 H221 Y225	V58-V135 HydrophobicContact CG1-CB 4.46Å; V58-V135 HydrophobicContact CG1-CG1 4.37Å; V58-V135 HydrophobicContact CG1-CG2 3.87Å; L60-V135 HydrophobicContact CD1-CG1 3.88Å; Y114-V135 HydrophobicContact CD1-CG2 4.2Å; Y114-V135 HydrophobicContact CD2-CG2 3.48Å; Y114-V135 VanDerWaalsContact CD2-CG2 3.48Å; Y114-V135 HydrophobicContact CE1-CG2 4.43Å; Y114-V135 HydrophobicContact CE2-CG2 3.76Å; Y114-V135 HydrophobicContact CG-CG2 3.72Å; Y131-V135 VanDerWaalsContact O-CG2 3.3Å; Y131-V135 WeakPolarHBondContact O-CG2 3.16Å; Y131-V135 PolarHBondContact O-N 3.23Å; L132-V135 PolarHBondContact O-N 3.41Å; V135-H221 PolarHBondContact O-NE2 3.34Å; V135-Y225 HydrophobicContact CG1-CD1 3.92Å; V135-Y225 HydrophobicContact CG1-CE1 4.34Å; V135-Y225 WeakPolarHBondContact O-CD1 3.39Å
136	F	97.3	Very high	97.1	Very high	7 Å²	7	23 Å²	23	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-97.8	-17.4	-168.9	-65.7	-67.8	0	0	0	114.9	V58 L132 P138 Y225 P227 F232 Y251 Y255	V58-F136 HydrophobicContact CG2-CE2 4.33Å; V58-F136 HydrophobicContact CG2-CZ 4.13Å; L132-F136 HydrophobicContact CD2-CD2 4.19Å; L132-F136 HydrophobicContact CD2-CE2 3.91Å; L132-F136 WeakPolarHBondContact O-CD2 3.09Å; L132-F136 PolarHBondContact O-N 2.83Å; F136-P138 VanDerWaalsContact C-CD 3.46Å; F136-Y225 WeakPolarHBondContact CD1-O 3.38Å; F136-P227 HydrophobicContact CD1-CG 4.13Å; F136-P227 HydrophobicContact CE1-CB 4.35Å; F136-P227 HydrophobicContact CE1-CG 3.77Å; F136-P227 HydrophobicContact CZ-CG 4.39Å; F136-F232 AromaticContact CE2-CE1 3.87Å; F136-F232 HydrophobicContact CE2-CE1 3.87Å; F136-F232 AromaticContact CE2-CZ 3.61Å; F136-F232 HydrophobicContact CE2-CZ 3.61Å; F136-F232 HydrophobicContact CZ-CE1 4.18Å; F136-F232 AromaticContact CZ-CZ 3.61Å; F136-F232 HydrophobicContact CZ-CZ 3.61Å; F136-Y251 HydrophobicContact CB-CD1 4.02Å; F136-Y251 HydrophobicContact CB-CE1 4.44Å; F136-Y251 HydrophobicContact CD2-CD1 4.47Å; F136-Y255 PolarHBondContact O-OH 3.14Å
137	R	97	Very high	97	Very high	69 Å²	69	22.3 Å²	22.3	26%	0.26	10%	0.103	S	C	.	.	S	Bend	trans	-136.9	47.2	178.7	-61.5	-179.6	177.4	151.9	4.2	112.8	S82 Q83 D133 E250 Y251	S82-R137 CarbonylContact C-O 3.51Å; S82-R137 WeakPolarHBondContact CA-O 3.43Å; S82-R137 WeakPolarHBondContact CB-O 3.22Å; Q83-R137 HydrophobicContact CB-CB 4.07Å; Q83-R137 PolarHBondContact N-O 3.38Å; D133-R137 CarbonylContact O-C 3.35Å; D133-R137 VanDerWaalsContact O-CA 3.28Å; D133-R137 WeakPolarHBondContact O-CA 3.32Å; D133-R137 PolarHBondContact O-N 3.04Å; R137-E250 PolarHBondContact NH1-O 3.03Å; R137-E250 PolarHBondContact NH2-O 2.76Å; R137-Y251 HydrophobicContact CG-CE1 4.48Å
138	P	97.5	Very high	96.9	Very high	21 Å²	21	22.6 Å²	22.6	14%	0.136	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-67.6	156.6	176.2	29.3	-33.4	0	0	0	111.5	V78 A134 F136 I140 H221	V78-P138 HydrophobicContact CB-CB 4.01Å; V78-P138 HydrophobicContact CB-CG 4.28Å; V78-P138 HydrophobicContact CG1-CB 4.09Å; V78-P138 HydrophobicContact CG1-CG 3.9Å; A134-P138 VanDerWaalsContact O-CB 3.27Å; A134-P138 WeakPolarHBondContact O-CB 3.39Å; A134-P138 VanDerWaalsContact O-CD 3.3Å; A134-P138 WeakPolarHBondContact O-CD 3.4Å; A134-P138 WeakPolarHBondContact O-CG 3.21Å; F136-P138 VanDerWaalsContact C-CD 3.46Å; P138-I140 HydrophobicContact CB-CD1 4.35Å; P138-I140 HydrophobicContact CB-CG1 3.72Å; P138-I140 HydrophobicContact CG-CD1 3.75Å; P138-I140 HydrophobicContact CG-CG1 3.67Å; P138-H221 WeakPolarHBondContact CD-NE2 3.36Å; P138-H221 WeakPolarHBondContact CG-NE2 3.33Å
139	K	96.2	Very high	96.9	Very high	83 Å²	83	22.6 Å²	22.6	36%	0.361	10%	0.104	S	C	.	.			trans	-75.7	-37.5	173.2	-69.8	178.9	66.7	-161.3	0	112.6	G81 P86 E141	G81-K139 PolarHBondContact O-N 3.33Å; P86-K139 HydrophobicContact CB-CD 4.1Å; K139-E141 HydrophobicContact CB-CG 4.05Å; K139-E141 WeakPolarHBondContact CE-OE1 3.49Å; K139-E141 VanDerWaalsContact NZ-CD 3.31Å; K139-E141 IonicContact NZ-OE1 3.43Å; K139-E141 PolarHBondContact NZ-OE1 3Å; K139-E141 IonicContact NZ-OE2 3.6Å
140	I	96.7	Very high	96.8	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.062	10%	0.099	C	C	.	.			trans	44.6	68.8	-175.1	-48.3	-176.9	0	0	0	111	L74 P138 Y214 L217 K218 H221	L74-I140 HydrophobicContact CD1-CD1 4.04Å; P138-I140 HydrophobicContact CB-CD1 4.35Å; P138-I140 HydrophobicContact CB-CG1 3.72Å; P138-I140 HydrophobicContact CG-CD1 3.75Å; P138-I140 HydrophobicContact CG-CG1 3.67Å; I140-Y214 HydrophobicContact CG2-CE2 4.09Å; I140-Y214 VanDerWaalsContact O-CE2 3.25Å; I140-Y214 WeakPolarHBondContact O-CE2 3.41Å; I140-Y214 PolarHBondContact O-OH 2.88Å; I140-L217 HydrophobicContact CG2-CD2 3.29Å; I140-K218 HydrophobicContact CG2-CG 3.96Å; I140-H221 HydrophobicContact CD1-CB 3.55Å; I140-H221 VanDerWaalsContact CD1-CG 3.41Å
141	E	96.1	Very high	96.7	Very high	61 Å²	61	22 Å²	22	29%	0.285	10%	0.1	S	C	.	.			trans	-86.2	150.5	179.5	-57.6	-171.5	151.1	0	0	112.2	K139 L143 D144 F145 K515	K139-E141 HydrophobicContact CB-CG 4.05Å; K139-E141 WeakPolarHBondContact CE-OE1 3.49Å; K139-E141 VanDerWaalsContact NZ-CD 3.31Å; K139-E141 IonicContact NZ-OE1 3.43Å; K139-E141 PolarHBondContact NZ-OE1 3Å; K139-E141 IonicContact NZ-OE2 3.6Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.43Å; E141-D144 PolarHBondContact O-N 3.33Å; E141-D144 VanDerWaalsContact O-N 3.14Å; E141-F145 PolarHBondContact O-N 3.34Å; E141-K515 IonicContact OE2-NZ 2.72Å; E141-K515 PolarHBondContact OE2-NZ 3.05Å
142	E	97.1	Very high	96.5	Very high	76 Å²	76	22.5 Å²	22.5	36%	0.355	10%	0.102	S	C	.	.	H	α-helix	trans	-60.9	-38.3	-179.6	-171.9	-179.7	-167	0	0	112.8	D144 F145 M146 Y214 K508	E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.32Å; E142-F145 WeakPolarHBondContact O-CB 3.39Å; E142-F145 PolarHBondContact O-N 3.25Å; E142-M146 WeakPolarHBondContact O-CG 3.38Å; E142-M146 PolarHBondContact O-N 3.46Å; E142-Y214 HydrophobicContact CB-CD1 4.12Å; E142-Y214 HydrophobicContact CB-CD2 4.35Å; E142-Y214 HydrophobicContact CB-CE1 4.01Å; E142-Y214 HydrophobicContact CB-CE2 4.24Å; E142-Y214 HydrophobicContact CB-CG 4.29Å; E142-Y214 HydrophobicContact CG-CD1 4.17Å; E142-Y214 HydrophobicContact CG-CG 4.19Å; E142-K508 IonicContact OE1-NZ 3.98Å; E142-K508 PolarHBondContact OE1-NZ 2.91Å; E142-K508 IonicContact OE2-NZ 3.3Å
143	L	95.9	Very high	96.3	Very high	34 Å²	34	23.1 Å²	23.1	18%	0.178	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-32.6	177.8	-65.9	180	0	0	0	112.3	E141 M146 Q147 Q511 L512 K515	E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.43Å; L143-M146 HydrophobicContact CD2-SD 4.2Å; L143-M146 PolarHBondContact O-N 2.74Å; L143-Q147 PolarHBondContact O-N 2.8Å; L143-Q511 HydrophobicContact CD1-CB 4.43Å; L143-Q511 HydrophobicContact CD2-CB 4.33Å; L143-L512 HydrophobicContact CB-CD1 4.23Å; L143-L512 HydrophobicContact CD2-CB 4.19Å; L143-K515 HydrophobicContact CB-CD 4.07Å; L143-K515 HydrophobicContact CD1-CB 4.35Å; L143-K515 HydrophobicContact CD1-CD 3.76Å
144	D	95.5	Very high	96.1	Very high	4 Å²	4	23 Å²	23	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-73.9	-39.7	177.2	-59.9	-30.1	0	0	0	110.3	C80 E141 E142 M146 Q147 E148 K515	C80-D144 HydrophobicContact CB-CB 3.73Å; E141-D144 PolarHBondContact O-N 3.33Å; E141-D144 VanDerWaalsContact O-N 3.14Å; E142-D144 VanDerWaalsContact C-N 3.3Å; E142-D144 PolarHBondContact O-N 3.32Å; D144-M146 VanDerWaalsContact C-N 3.33Å; D144-M146 PolarHBondContact O-N 2.78Å; D144-Q147 PolarHBondContact O-N 3.1Å; D144-E148 PolarHBondContact O-N 3.13Å; D144-K515 VanDerWaalsContact CG-NZ 3.27Å; D144-K515 IonicContact OD1-NZ 3.48Å; D144-K515 PolarHBondContact OD1-NZ 2.87Å; D144-K515 IonicContact OD2-NZ 3.03Å; D144-K515 PolarHBondContact OD2-NZ 3.42Å
145	F	97.3	Very high	95.7	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-56	-45.6	169	166.7	-101.8	0	0	0	112.3	V73 T77 E141 E142 Q147 G149 W150 L212 Y214 L217	V73-F145 HydrophobicContact CG1-CD2 4.02Å; V73-F145 HydrophobicContact CG1-CE2 4.15Å; T77-F145 HydrophobicContact CG2-CB 4.43Å; E141-F145 PolarHBondContact O-N 3.34Å; E142-F145 WeakPolarHBondContact O-CB 3.39Å; E142-F145 PolarHBondContact O-N 3.25Å; F145-Q147 VanDerWaalsContact C-N 3.31Å; F145-Q147 PolarHBondContact O-N 3.24Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.12Å; F145-W150 AromaticContact CZ-NE1 3.84Å; F145-L212 HydrophobicContact CE2-CD2 3.91Å; F145-L212 HydrophobicContact CE2-CG 3.85Å; F145-L212 HydrophobicContact CZ-CG 4.25Å; F145-L212 WeakPolarHBondContact CZ-O 3.46Å; F145-Y214 HydrophobicContact CB-CD2 3.93Å; F145-Y214 HydrophobicContact CD1-CD2 4.4Å; F145-Y214 HydrophobicContact CG-CD2 4.13Å; F145-L217 HydrophobicContact CD2-CD1 3.98Å; F145-L217 HydrophobicContact CE2-CD1 4.32Å
146	M	96.4	Very high	95.2	Very high	11 Å²	11	32 Å²	32	5%	0.054	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-31	177.3	-75.1	178.6	72.6	0	0	113.5	E142 L143 D144 R151 K508 L512	E142-M146 WeakPolarHBondContact O-CG 3.38Å; E142-M146 PolarHBondContact O-N 3.46Å; L143-M146 HydrophobicContact CD2-SD 4.2Å; L143-M146 PolarHBondContact O-N 2.74Å; D144-M146 VanDerWaalsContact C-N 3.33Å; D144-M146 PolarHBondContact O-N 2.78Å; M146-R151 HydrophobicContact CB-CB 4.14Å; M146-R151 HydrophobicContact CE-CB 3.9Å; M146-R151 HydrophobicContact CG-CB 4.3Å; M146-R151 WeakPolarHBondContact O-CD 3.48Å; M146-R151 PolarHBondContact O-NH1 3.47Å; M146-K508 HydrophobicContact CE-CB 3.69Å; M146-K508 HydrophobicContact CE-CD 4.24Å; M146-K508 HydrophobicContact SD-CB 4.08Å; M146-K508 HydrophobicContact SD-CD 3.95Å; M146-L512 HydrophobicContact CB-CD2 4.47Å
147	Q	94.7	Very high	94.7	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-75	-55.9	176.8	-175.6	176.1	-77.5	0	0	111	L143 D144 F145 V169 L512	L143-Q147 PolarHBondContact O-N 2.8Å; D144-Q147 PolarHBondContact O-N 3.1Å; F145-Q147 VanDerWaalsContact C-N 3.31Å; F145-Q147 PolarHBondContact O-N 3.24Å; Q147-V169 PolarHBondContact O-N 3.21Å; Q147-V169 VanDerWaalsContact O-N 3.16Å; Q147-L512 HydrophobicContact CB-CD1 4.21Å
148	E	95.6	Very high	94.2	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-80.4	-42.9	-171	-64.5	-55.3	127.5	0	0	112.5	H76 T77 D144 V169 V170 R859	H76-E148 HydrophobicContact CB-CB 3.8Å; H76-E148 HydrophobicContact CB-CG 4.02Å; H76-E148 IonicContact CG-OE2 3.61Å; H76-E148 IonicContact ND1-OE2 3.35Å; H76-E148 PolarHBondContact ND1-OE2 3.45Å; T77-E148 HydrophobicContact CG2-CB 4.17Å; D144-E148 PolarHBondContact O-N 3.13Å; E148-V169 PolarHBondContact O-N 3.41Å; E148-V169 VanDerWaalsContact O-N 3.16Å; E148-V170 WeakPolarHBondContact O-CB 3.48Å; E148-V170 WeakPolarHBondContact O-CG2 3.44Å; E148-V170 PolarHBondContact O-N 3.17Å; E148-R859 IonicContact OE2-CZ 2.75Å; E148-R859 IonicContact OE2-NH2 3.95Å; E148-R859 PolarHBondContact OE2-NH2 3.39Å
149	G	96.7	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-88.7	-178.5	0	0	0	0	0	112.1	V73 F145 G168 F171	V73-G149 VanDerWaalsContact CG1-CA 3.47Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.12Å; G149-G168 WeakPolarHBondContact O-CA 3.19Å; G149-F171 PolarHBondContact O-N 3.09Å
150	W	96.1	Very high	93.2	Very high	41 Å²	41	41.5 Å²	41.5	16%	0.155	20%	0.198	C	C	.	.			trans	-160.6	160.7	177.5	73.4	-80.8	0	0	0	111.7	F145 L152 L166 K167 F171 I209 P210 L212	F145-W150 AromaticContact CZ-NE1 3.84Å; W150-L152 HydrophobicContact CZ3-CG 4.2Å; W150-L166 HydrophobicContact CE3-CD2 3.69Å; W150-L166 HydrophobicContact CZ3-CD2 4.04Å; W150-K167 CarbonylContact C-O 3.51Å; W150-K167 WeakPolarHBondContact CA-O 3.49Å; W150-F171 HydrophobicContact CB-CB 4.42Å; W150-I209 HydrophobicContact CB-CG2 4.06Å; W150-I209 VanDerWaalsContact CD1-O 3.32Å; W150-I209 HydrophobicContact CG-CG2 4.17Å; W150-I209 PolarHBondContact NE1-O 3.47Å; W150-P210 HydrophobicContact CD2-CB 4Å; W150-P210 HydrophobicContact CD2-CG 4.48Å; W150-P210 HydrophobicContact CE3-CB 3.9Å; W150-P210 HydrophobicContact CE3-CG 4.42Å; W150-P210 HydrophobicContact CH2-CB 4.15Å; W150-P210 VanDerWaalsContact CH2-O 3.29Å; W150-P210 WeakPolarHBondContact CH2-O 3.49Å; W150-P210 HydrophobicContact CZ2-CB 4.26Å; W150-P210 WeakPolarHBondContact CZ2-O 3.46Å; W150-P210 HydrophobicContact CZ3-CB 3.97Å; W150-L212 PolarHBondContact NE1-O 3.45Å
151	R	95.1	Very high	92.7	Very high	12 Å²	12	46 Å²	46	5%	0.045	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	159.2	170.5	64.8	-174.6	-175.5	-78	-0.4	111.2	M146 E153 K167	M146-R151 HydrophobicContact CB-CB 4.14Å; M146-R151 HydrophobicContact CE-CB 3.9Å; M146-R151 HydrophobicContact CG-CB 4.3Å; M146-R151 WeakPolarHBondContact O-CD 3.48Å; M146-R151 PolarHBondContact O-NH1 3.47Å; R151-E153 IonicContact CZ-OE2 2.69Å; R151-E153 IonicContact NE-OE2 3.29Å; R151-E153 PolarHBondContact NE-OE2 3.24Å; R151-E153 IonicContact NH2-OE2 2.69Å; R151-E153 PolarHBondContact NH2-OE2 2.84Å; R151-E153 VanDerWaalsContact NH2-OE2 3.16Å; R151-K167 HydrophobicContact CG-CB 4.35Å; R151-K167 PolarHBondContact N-O 3.14Å; R151-K167 PolarHBondContact O-N 3.38Å
152	L	95	Very high	92.5	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.4	160.9	-72.2	169.9	0	0	0	109.5	W150 L164 V165 L166 L490 L493 T494 I497 L505	W150-L152 HydrophobicContact CZ3-CG 4.2Å; L152-L164 HydrophobicContact CD2-CB 4.48Å; L152-V165 WeakPolarHBondContact CA-O 3.05Å; L152-L166 HydrophobicContact CD2-CD2 3.56Å; L152-L166 HydrophobicContact CD2-CG 3.84Å; L152-L166 HydrophobicContact CG-CD2 4.05Å; L152-L490 HydrophobicContact CD2-CD1 3.81Å; L152-L493 HydrophobicContact CD1-CB 4.17Å; L152-T494 HydrophobicContact CD1-CG2 4.02Å; L152-T494 HydrophobicContact CD2-CG2 4.11Å; L152-I497 HydrophobicContact CD1-CD1 3.89Å; L152-L505 HydrophobicContact CB-CD1 4.08Å; L152-L505 HydrophobicContact CB-CD2 4.47Å
153	E	93.3	Very high	92.2	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156.5	170.4	64.6	178.9	-138.6	0	0	111	R151 E155 L164 V165 K167 A509	R151-E153 IonicContact CZ-OE2 2.69Å; R151-E153 IonicContact NE-OE2 3.29Å; R151-E153 PolarHBondContact NE-OE2 3.24Å; R151-E153 IonicContact NH2-OE2 2.69Å; R151-E153 PolarHBondContact NH2-OE2 2.84Å; R151-E153 VanDerWaalsContact NH2-OE2 3.16Å; E153-E155 PolarHBondContact O-N 3.01Å; E153-L164 WeakPolarHBondContact O-CA 3.41Å; E153-V165 HydrophobicContact CG-CG2 4.36Å; E153-V165 PolarHBondContact N-O 3.17Å; E153-V165 PolarHBondContact O-N 2.82Å; E153-K167 HydrophobicContact CG-CD 4.06Å; E153-K167 VanDerWaalsContact OE1-CD 3.25Å; E153-K167 WeakPolarHBondContact OE1-CD 3.15Å; E153-K167 WeakPolarHBondContact OE1-CE 3.2Å; E153-K167 IonicContact OE1-NZ 3.39Å; E153-K167 PolarHBondContact OE1-NZ 3.21Å; E153-A509 HydrophobicContact CB-CB 3.85Å
154	P	92.4	Very high	92.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	133.3	168.5	-21.4	32.3	0	0	0	110.5	N156 L160 L164 A506	P154-N156 PolarHBondContact O-N 3.16Å; P154-L160 HydrophobicContact CG-CD2 4.48Å; P154-L164 HydrophobicContact CG-CD2 4.11Å; P154-A506 HydrophobicContact CG-CB 4.07Å
155	E	89.5	Confident	92	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	23%	0.234	S	C	.	.	S	Bend	trans	-52.1	-41.7	175.9	-177.5	177.7	-163.6	0	0	111.3	E153 N163 V165	E153-E155 PolarHBondContact O-N 3.01Å; E155-N163 WeakPolarHBondContact CB-O 3.36Å; E155-N163 PolarHBondContact N-O 3.25Å; E155-V165 HydrophobicContact CB-CG1 4.04Å; E155-V165 HydrophobicContact CB-CG2 4.43Å; E155-V165 HydrophobicContact CG-CG1 4.36Å
156	N	88.6	Confident	91.7	Very high	76 Å²	76	47.1 Å²	47.1	41%	0.406	24%	0.239	S	C	.	.	S	Bend	trans	-114.5	106.5	171.2	-178.3	-1.7	0	0	0	110.2	P154 K158 D159 S162	P154-N156 PolarHBondContact O-N 3.16Å; N156-K158 PolarHBondContact O-N 3.04Å; N156-K158 WeakPolarHBondContact OD1-CB 3.18Å; N156-K158 PolarHBondContact OD1-N 3.21Å; N156-D159 HydrophobicContact CB-CB 4.13Å; N156-D159 CarbonylContact O-C 3.55Å; N156-D159 VanDerWaalsContact O-C 3.24Å; N156-D159 WeakPolarHBondContact O-CA 3.25Å; N156-D159 PolarHBondContact O-N 3.44Å; N156-S162 PolarHBondContact N-OG 3.36Å; N156-S162 PolarHBondContact O-OG 2.74Å
157	L	86.2	Confident	91.5	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.178	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.2	177	-64.4	177.7	0	0	0	114.3	A509 H510 L513	L157-A509 HydrophobicContact CD2-CB 3.57Å; L157-H510 PolarHBondContact O-NE2 2.72Å; L157-L513 HydrophobicContact CD1-CD2 3.98Å
158	K	86.4	Confident	91.4	Very high	203 Å²	203	47.4 Å²	47.4	88%	0.883	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.6	173.7	-59.9	-179.8	179.1	177.1	0	113	N156	N156-K158 PolarHBondContact O-N 3.04Å; N156-K158 WeakPolarHBondContact OD1-CB 3.18Å; N156-K158 PolarHBondContact OD1-N 3.21Å
159	D	89.3	Confident	91.3	Very high	63 Å²	63	47.2 Å²	47.2	34%	0.337	24%	0.239	S	C	.	.			trans	-123.5	93.5	179.1	177.7	10	0	0	0	109.2	N156 T161 S162	N156-D159 HydrophobicContact CB-CB 4.13Å; N156-D159 CarbonylContact O-C 3.55Å; N156-D159 VanDerWaalsContact O-C 3.24Å; N156-D159 WeakPolarHBondContact O-CA 3.25Å; N156-D159 PolarHBondContact O-N 3.44Å; D159-T161 PolarHBondContact O-N 3.13Å; D159-T161 WeakPolarHBondContact OD1-CA 3.49Å; D159-T161 WeakPolarHBondContact OD1-CB 3.32Å; D159-T161 PolarHBondContact OD1-N 2.85Å; D159-T161 PolarHBondContact OD1-OG1 3.47Å; D159-T161 PolarHBondContact OD2-OG1 3.14Å; D159-S162 VanDerWaalsContact O-CB 3.24Å; D159-S162 WeakPolarHBondContact O-CB 3.42Å; D159-S162 PolarHBondContact O-N 3.49Å; D159-S162 PolarHBondContact O-OG 3.38Å
160	L	83.7	Confident	91.3	Very high	79 Å²	79	47.2 Å²	47.2	41%	0.414	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.3	178	-58.1	-177.5	0	0	0	113.1	P154 R502 A506	P154-L160 HydrophobicContact CG-CD2 4.48Å; L160-R502 PolarHBondContact O-NE 3.11Å; L160-R502 PolarHBondContact O-NH1 2.79Å; L160-R502 PolarHBondContact O-NH2 3.5Å; L160-A506 HydrophobicContact CD2-CB 3.31Å
161	T	86	Confident	91.3	Very high	106 Å²	106	46 Å²	46	65%	0.65	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13	173.9	74	0	0	0	0	113.3	D159 R502	D159-T161 PolarHBondContact O-N 3.13Å; D159-T161 WeakPolarHBondContact OD1-CA 3.49Å; D159-T161 WeakPolarHBondContact OD1-CB 3.32Å; D159-T161 PolarHBondContact OD1-N 2.85Å; D159-T161 PolarHBondContact OD1-OG1 3.47Å; D159-T161 PolarHBondContact OD2-OG1 3.14Å; T161-R502 PolarHBondContact O-NH2 3.21Å
162	S	91.4	Very high	91.2	Very high	16 Å²	16	46 Å²	46	11%	0.112	24%	0.236	C	C	.	.	S	Bend	trans	-63.6	146.3	176.3	67.1	0	0	0	0	113.2	N156 D159 R502	N156-S162 PolarHBondContact N-OG 3.36Å; N156-S162 PolarHBondContact O-OG 2.74Å; D159-S162 VanDerWaalsContact O-CB 3.24Å; D159-S162 WeakPolarHBondContact O-CB 3.42Å; D159-S162 PolarHBondContact O-N 3.49Å; D159-S162 PolarHBondContact O-OG 3.38Å; S162-R502 VanDerWaalsContact C-NH2 3.34Å; S162-R502 PolarHBondContact O-NH2 2.67Å
163	N	91.6	Very high	91.2	Very high	120 Å²	120	46.3 Å²	46.3	64%	0.642	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-51.9	145	-176	-68.5	-24.6	0	0	0	112	E155	E155-N163 WeakPolarHBondContact CB-O 3.36Å; E155-N163 PolarHBondContact N-O 3.25Å
164	L	93.4	Very high	91.3	Very high	18 Å²	18	46 Å²	46	9%	0.094	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.4	172.6	-67.4	176	0	0	0	109.3	L152 E153 P154 T494 I497 R502 L505	L152-L164 HydrophobicContact CD2-CB 4.48Å; E153-L164 WeakPolarHBondContact O-CA 3.41Å; P154-L164 HydrophobicContact CG-CD2 4.11Å; L164-T494 HydrophobicContact CB-CG2 3.91Å; L164-T494 HydrophobicContact CD1-CG2 3.87Å; L164-I497 HydrophobicContact CD1-CD1 3.51Å; L164-I497 HydrophobicContact CD1-CG2 4.43Å; L164-R502 HydrophobicContact CD2-CG 4.46Å; L164-L505 HydrophobicContact CD1-CD1 4.06Å; L164-L505 HydrophobicContact CD2-CD1 4.4Å
165	V	92.3	Very high	91.2	Very high	28 Å²	28	48.2 Å²	48.2	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.8	177.8	-65.5	0	0	0	0	110.5	L152 E153 E155 K167	L152-V165 WeakPolarHBondContact CA-O 3.05Å; E153-V165 HydrophobicContact CG-CG2 4.36Å; E153-V165 PolarHBondContact N-O 3.17Å; E153-V165 PolarHBondContact O-N 2.82Å; E155-V165 HydrophobicContact CB-CG1 4.04Å; E155-V165 HydrophobicContact CB-CG2 4.43Å; E155-V165 HydrophobicContact CG-CG1 4.36Å; V165-K167 HydrophobicContact CG2-CG 4.31Å
166	L	92.3	Very high	91.3	Very high	30 Å²	30	42.7 Å²	42.7	16%	0.157	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.7	171.1	-77.4	169.5	0	0	0	110.3	W150 L152 F171 P210 L490 L493	W150-L166 HydrophobicContact CE3-CD2 3.69Å; W150-L166 HydrophobicContact CZ3-CD2 4.04Å; L152-L166 HydrophobicContact CD2-CD2 3.56Å; L152-L166 HydrophobicContact CD2-CG 3.84Å; L152-L166 HydrophobicContact CG-CD2 4.05Å; L166-F171 HydrophobicContact CB-CE1 3.98Å; L166-F171 HydrophobicContact CB-CZ 4.1Å; L166-F171 HydrophobicContact CD1-CE2 4.36Å; L166-F171 HydrophobicContact CD1-CZ 4.12Å; L166-P210 HydrophobicContact CD1-CG 4.22Å; L166-P210 HydrophobicContact CD2-CG 4.2Å; L166-L490 HydrophobicContact CD1-CD1 4.35Å; L166-L490 HydrophobicContact CG-CD1 4.04Å; L166-L493 HydrophobicContact CD1-CD1 3.92Å; L166-L493 HydrophobicContact CD2-CD1 4.01Å; L166-L493 HydrophobicContact CG-CD1 4.4Å
167	K	91.5	Very high	91.6	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.096	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.7	173.8	-63.7	-169.2	-173.4	175.3	0	110.5	W150 R151 E153 V165 Y885	W150-K167 CarbonylContact C-O 3.51Å; W150-K167 WeakPolarHBondContact CA-O 3.49Å; R151-K167 HydrophobicContact CG-CB 4.35Å; R151-K167 PolarHBondContact N-O 3.14Å; R151-K167 PolarHBondContact O-N 3.38Å; E153-K167 HydrophobicContact CG-CD 4.06Å; E153-K167 VanDerWaalsContact OE1-CD 3.25Å; E153-K167 WeakPolarHBondContact OE1-CD 3.15Å; E153-K167 WeakPolarHBondContact OE1-CE 3.2Å; E153-K167 IonicContact OE1-NZ 3.39Å; E153-K167 PolarHBondContact OE1-NZ 3.21Å; V165-K167 HydrophobicContact CG2-CG 4.31Å; K167-Y885 VanDerWaalsContact CE-OH 3.29Å; K167-Y885 WeakPolarHBondContact CE-OH 3.09Å
168	G	93.3	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.			trans	164.5	146	175.4	0	0	0	0	0	110.1	G149 N172	G149-G168 WeakPolarHBondContact O-CA 3.19Å; G168-N172 WeakPolarHBondContact O-CB 3.46Å; G168-N172 PolarHBondContact O-N 3.23Å; G168-N172 PolarHBondContact O-ND2 3.36Å
169	V	94.1	Very high	91.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-54.8	-177.5	177.8	0	0	0	0	110.8	Q147 E148 F171 N172 E173 R859 Y865	Q147-V169 PolarHBondContact O-N 3.21Å; Q147-V169 VanDerWaalsContact O-N 3.16Å; E148-V169 PolarHBondContact O-N 3.41Å; E148-V169 VanDerWaalsContact O-N 3.16Å; V169-F171 VanDerWaalsContact C-N 3.31Å; V169-F171 PolarHBondContact O-N 2.96Å; V169-N172 PolarHBondContact O-N 3.32Å; V169-E173 VanDerWaalsContact O-CB 3.29Å; V169-E173 WeakPolarHBondContact O-CB 3.34Å; V169-E173 PolarHBondContact O-N 2.69Å; V169-R859 HydrophobicContact CG2-CG 4.26Å; V169-Y865 HydrophobicContact CG1-CD2 3.92Å
170	V	96.3	Very high	92.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-40.2	178	171.1	0	0	0	0	110.8	H72 V73 H76 E148 N172 E173 M174 I209	H72-V170 WeakPolarHBondContact ND1-CG1 3.46Å; V73-V170 HydrophobicContact CG2-CB 4.12Å; V73-V170 HydrophobicContact CG2-CG1 3.86Å; V73-V170 HydrophobicContact CG2-CG2 4.24Å; H76-V170 HydrophobicContact CB-CG2 4.48Å; H76-V170 VanDerWaalsContact CE1-CG2 3.49Å; H76-V170 WeakPolarHBondContact CE1-CG2 3.31Å; H76-V170 WeakPolarHBondContact ND1-CG2 3.36Å; E148-V170 WeakPolarHBondContact O-CB 3.48Å; E148-V170 WeakPolarHBondContact O-CG2 3.44Å; E148-V170 PolarHBondContact O-N 3.17Å; V170-N172 PolarHBondContact O-N 2.8Å; V170-E173 WeakPolarHBondContact O-CB 3.4Å; V170-E173 PolarHBondContact O-N 3.13Å; V170-M174 HydrophobicContact CG1-CG 4.26Å; V170-M174 WeakPolarHBondContact O-CB 3.43Å; V170-M174 WeakPolarHBondContact O-CG 3.44Å; V170-M174 PolarHBondContact O-N 2.85Å; V170-I209 HydrophobicContact CG1-CD1 4.21Å
171	F	95.4	Very high	92.6	Very high	15 Å²	15	24.7 Å²	24.7	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-51.1	175.3	173.5	-101	0	0	0	112.3	G149 W150 L166 V169 E173 M174 K175 P206 I209	G149-F171 PolarHBondContact O-N 3.09Å; W150-F171 HydrophobicContact CB-CB 4.42Å; L166-F171 HydrophobicContact CB-CE1 3.98Å; L166-F171 HydrophobicContact CB-CZ 4.1Å; L166-F171 HydrophobicContact CD1-CE2 4.36Å; L166-F171 HydrophobicContact CD1-CZ 4.12Å; V169-F171 VanDerWaalsContact C-N 3.31Å; V169-F171 PolarHBondContact O-N 2.96Å; F171-E173 VanDerWaalsContact C-N 3.35Å; F171-M174 PolarHBondContact O-N 2.81Å; F171-K175 WeakPolarHBondContact O-CB 3.48Å; F171-K175 PolarHBondContact O-N 2.84Å; F171-P206 HydrophobicContact CE2-CB 4.23Å; F171-P206 WeakPolarHBondContact CE2-O 3.45Å; F171-I209 HydrophobicContact CB-CG2 4.36Å
172	N	92.6	Very high	93	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.07	11%	0.11	C	C	.	.	H	α-helix	trans	-70.9	-32.2	179.7	-73.7	-27.6	0	0	0	112.4	G168 V169 V170 G176 G863	G168-N172 WeakPolarHBondContact O-CB 3.46Å; G168-N172 PolarHBondContact O-N 3.23Å; G168-N172 PolarHBondContact O-ND2 3.36Å; V169-N172 PolarHBondContact O-N 3.32Å; V170-N172 PolarHBondContact O-N 2.8Å; N172-G176 PolarHBondContact O-N 3.43Å; N172-G863 PolarHBondContact ND2-O 3.45Å
173	E	95.1	Very high	93.2	Very high	19 Å²	19	20.5 Å²	20.5	9%	0.089	11%	0.108	C	C	.	.	H	α-helix	trans	-58.6	-55.5	171.6	-176.4	-176.9	178.2	0	0	110.9	H72 H76 V169 V170 F171 K175 G176 V177 Y865 R882	H72-E173 IonicContact CE1-OE1 3.91Å; H72-E173 IonicContact CE1-OE2 3.86Å; H72-E173 PolarHBondContact CE1-OE2 3.5Å; H72-E173 IonicContact NE2-OE1 3.06Å; H72-E173 IonicContact NE2-OE2 3.41Å; H72-E173 PolarHBondContact NE2-OE2 2.98Å; H76-E173 IonicContact CE1-OE2 2.62Å; H76-E173 IonicContact NE2-OE2 2.65Å; V169-E173 VanDerWaalsContact O-CB 3.29Å; V169-E173 WeakPolarHBondContact O-CB 3.34Å; V169-E173 PolarHBondContact O-N 2.69Å; V170-E173 WeakPolarHBondContact O-CB 3.4Å; V170-E173 PolarHBondContact O-N 3.13Å; F171-E173 VanDerWaalsContact C-N 3.35Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 2.82Å; E173-G176 CarbonylContact O-C 3.45Å; E173-G176 WeakPolarHBondContact O-CA 3.03Å; E173-G176 PolarHBondContact O-N 3.4Å; E173-V177 WeakPolarHBondContact O-CG2 3.35Å; E173-V177 PolarHBondContact O-N 2.87Å; E173-Y865 HydrophobicContact CB-CD2 3.68Å; E173-Y865 HydrophobicContact CB-CE2 4.14Å; E173-Y865 HydrophobicContact CB-CG 4.09Å; E173-Y865 VanDerWaalsContact CD-CZ 3.45Å; E173-Y865 HydrophobicContact CG-CD1 4.31Å; E173-Y865 HydrophobicContact CG-CD2 3.66Å; E173-Y865 HydrophobicContact CG-CE1 4.39Å; E173-Y865 HydrophobicContact CG-CE2 3.69Å; E173-Y865 HydrophobicContact CG-CG 3.99Å; E173-Y865 WeakPolarHBondContact OE1-CE2 3.46Å; E173-Y865 VanDerWaalsContact OE1-CZ 3.3Å; E173-Y865 PolarHBondContact OE1-OH 3.27Å; E173-Y865 WeakPolarHBondContact OE2-CD2 3.37Å; E173-Y865 WeakPolarHBondContact OE2-CE2 3.36Å; E173-R882 PolarHBondContact O-NH1 2.91Å
174	M	95.4	Very high	93.4	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.039	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-35.2	-178.1	-68.3	-50.2	-62.1	0	0	112.2	V170 F171 G176 V177 F178 V201 A203 G204 P206 I209	V170-M174 HydrophobicContact CG1-CG 4.26Å; V170-M174 WeakPolarHBondContact O-CB 3.43Å; V170-M174 WeakPolarHBondContact O-CG 3.44Å; V170-M174 PolarHBondContact O-N 2.85Å; F171-M174 PolarHBondContact O-N 2.81Å; M174-G176 VanDerWaalsContact C-N 3.28Å; M174-G176 PolarHBondContact O-N 2.96Å; M174-V177 HydrophobicContact CE-CB 4.43Å; M174-V177 HydrophobicContact CE-CG1 4.47Å; M174-V177 PolarHBondContact O-N 3.03Å; M174-V177 HydrophobicContact SD-CG2 4.15Å; M174-F178 HydrophobicContact CE-CD2 4.22Å; M174-F178 HydrophobicContact CE-CE2 3.53Å; M174-F178 HydrophobicContact CE-CZ 4.08Å; M174-F178 VanDerWaalsContact O-CD2 3.26Å; M174-F178 WeakPolarHBondContact O-CD2 3.32Å; M174-F178 PolarHBondContact O-N 3.43Å; M174-V201 HydrophobicContact CE-CG1 4.5Å; M174-A203 HydrophobicContact CE-CB 3.6Å; M174-A203 HydrophobicContact SD-CB 3.64Å; M174-G204 WeakPolarHBondContact CE-O 3.21Å; M174-P206 HydrophobicContact CB-CG 4.19Å; M174-I209 HydrophobicContact CB-CD1 3.96Å; M174-I209 HydrophobicContact CG-CD1 3.93Å
175	K	91.8	Very high	93.6	Very high	46 Å²	46	16.5 Å²	16.5	20%	0.2	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-40.2	169.6	-175.2	164.1	-175.2	153.3	0	111.7	F171 E173 S179 D486 T821	F171-K175 WeakPolarHBondContact O-CB 3.48Å; F171-K175 PolarHBondContact O-N 2.84Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 2.82Å; K175-S179 PolarHBondContact O-N 3.26Å; K175-S179 VanDerWaalsContact O-N 3.16Å; K175-S179 PolarHBondContact O-OG 3.43Å; K175-D486 IonicContact NZ-OD2 2.66Å; K175-D486 PolarHBondContact NZ-OD2 3.32Å; K175-T821 WeakPolarHBondContact CG-OG1 3.12Å; K175-T821 PolarHBondContact O-OG1 3.15Å
176	G	91.2	Very high	93.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-44.1	172.4	0	0	0	0	0	113.5	N172 E173 M174 F178 S179	N172-G176 PolarHBondContact O-N 3.43Å; E173-G176 CarbonylContact O-C 3.45Å; E173-G176 WeakPolarHBondContact O-CA 3.03Å; E173-G176 PolarHBondContact O-N 3.4Å; M174-G176 VanDerWaalsContact C-N 3.28Å; M174-G176 PolarHBondContact O-N 2.96Å; G176-F178 VanDerWaalsContact C-N 3.32Å; G176-F178 PolarHBondContact O-N 3.5Å; G176-S179 VanDerWaalsContact O-CB 3.31Å; G176-S179 WeakPolarHBondContact O-CB 3.33Å; G176-S179 PolarHBondContact O-N 2.92Å
177	V	94.1	Very high	94.1	Very high	25 Å²	25	16.4 Å²	16.4	15%	0.152	8%	0.083	C	C	.	.	H	α-helix	trans	-55.2	-48.6	175.9	173.7	0	0	0	0	110.7	E173 M174 S179 N180 N183	E173-V177 WeakPolarHBondContact O-CG2 3.35Å; E173-V177 PolarHBondContact O-N 2.87Å; M174-V177 HydrophobicContact CE-CB 4.43Å; M174-V177 HydrophobicContact CE-CG1 4.47Å; M174-V177 PolarHBondContact O-N 3.03Å; M174-V177 HydrophobicContact SD-CG2 4.15Å; V177-S179 PolarHBondContact O-N 3.37Å; V177-N180 PolarHBondContact O-N 3.39Å; V177-N183 HydrophobicContact CG1-CB 4.21Å; V177-N183 PolarHBondContact O-ND2 3.05Å
178	F	92.3	Very high	94.4	Very high	16 Å²	16	16.9 Å²	16.9	7%	0.07	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.8	-179.7	-67.5	-59.4	0	0	0	113.7	M174 G176 N180 R184 Q187 V201 P206	M174-F178 HydrophobicContact CE-CD2 4.22Å; M174-F178 HydrophobicContact CE-CE2 3.53Å; M174-F178 HydrophobicContact CE-CZ 4.08Å; M174-F178 VanDerWaalsContact O-CD2 3.26Å; M174-F178 WeakPolarHBondContact O-CD2 3.32Å; M174-F178 PolarHBondContact O-N 3.43Å; G176-F178 VanDerWaalsContact C-N 3.32Å; G176-F178 PolarHBondContact O-N 3.5Å; F178-N180 VanDerWaalsContact C-N 3.26Å; F178-R184 HydrophobicContact CB-CG 4.06Å; F178-R184 HydrophobicContact CD1-CB 4.43Å; F178-R184 HydrophobicContact CD1-CG 3.62Å; F178-R184 HydrophobicContact CG-CG 4.26Å; F178-R184 PolarHBondContact O-NE 3.35Å; F178-R184 PolarHBondContact O-NH2 3.07Å; F178-R184 VanDerWaalsContact O-NH2 3.16Å; F178-Q187 HydrophobicContact CE1-CB 3.99Å; F178-Q187 HydrophobicContact CE1-CG 4.09Å; F178-Q187 HydrophobicContact CZ-CG 4.14Å; F178-V201 HydrophobicContact CE2-CG1 4.42Å; F178-V201 HydrophobicContact CZ-CG1 4.04Å; F178-P206 HydrophobicContact CD2-CG 3.87Å; F178-P206 HydrophobicContact CE2-CG 4.49Å
179	S	87.7	Confident	94.6	Very high	12 Å²	12	17 Å²	17	8%	0.084	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.3	164	-62.9	0	0	0	0	111.4	K175 G176 V177 S181 T821	K175-S179 PolarHBondContact O-N 3.26Å; K175-S179 VanDerWaalsContact O-N 3.16Å; K175-S179 PolarHBondContact O-OG 3.43Å; G176-S179 VanDerWaalsContact O-CB 3.31Å; G176-S179 WeakPolarHBondContact O-CB 3.33Å; G176-S179 PolarHBondContact O-N 2.92Å; V177-S179 PolarHBondContact O-N 3.37Å; S179-S181 PolarHBondContact O-N 3.05Å; S179-T821 PolarHBondContact OG-N 3.41Å; S179-T821 PolarHBondContact OG-OG1 3.44Å
180	N	92.6	Very high	94.8	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	9%	0.094	C	C	.	.	S	Bend	trans	-77.6	115.9	168.6	-177.8	-21.2	0	0	0	109.3	V177 F178 L182 N183 R184 N686	V177-N180 PolarHBondContact O-N 3.39Å; F178-N180 VanDerWaalsContact C-N 3.26Å; N180-L182 PolarHBondContact O-N 3.43Å; N180-L182 WeakPolarHBondContact OD1-CB 3.39Å; N180-L182 PolarHBondContact OD1-N 3.37Å; N180-N183 HydrophobicContact CB-CB 4.32Å; N180-N183 WeakPolarHBondContact O-CB 3.49Å; N180-N183 PolarHBondContact O-N 2.96Å; N180-R184 PolarHBondContact O-N 3.06Å; N180-N686 PolarHBondContact ND2-O 3.43Å; N180-N686 VanDerWaalsContact ND2-O 3.15Å; N180-N686 PolarHBondContact OD1-OD1 3.05Å
181	S	93.8	Very high	94.8	Very high	18 Å²	18	19.8 Å²	19.8	13%	0.126	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-30.1	-178.3	63.2	0	0	0	0	112.7	S179 N183 R184 F185 N686	S179-S181 PolarHBondContact O-N 3.05Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.49Å; S181-R184 WeakPolarHBondContact O-CB 3.5Å; S181-R184 PolarHBondContact O-N 2.92Å; S181-F185 PolarHBondContact O-N 3.44Å; S181-N686 PolarHBondContact N-OD1 3.07Å; S181-N686 VanDerWaalsContact N-OD1 3.07Å; S181-N686 VanDerWaalsContact OG-CG 3.31Å; S181-N686 PolarHBondContact OG-ND2 3.33Å; S181-N686 VanDerWaalsContact OG-ND2 3.1Å; S181-N686 PolarHBondContact OG-OD1 2.86Å
182	L	95.3	Very high	95	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.11	12%	0.115	C	C	.	.	H	α-helix	trans	-71.4	-28.5	178	-56.9	-178.4	0	0	0	112.1	N180 F185 A186 I342 M472 N686	N180-L182 PolarHBondContact O-N 3.43Å; N180-L182 WeakPolarHBondContact OD1-CB 3.39Å; N180-L182 PolarHBondContact OD1-N 3.37Å; L182-F185 WeakPolarHBondContact O-CB 3.38Å; L182-F185 PolarHBondContact O-N 3.09Å; L182-A186 WeakPolarHBondContact O-CB 3.47Å; L182-A186 PolarHBondContact O-N 2.92Å; L182-I342 HydrophobicContact CB-CG2 4.28Å; L182-I342 HydrophobicContact CD1-CG2 4.36Å; L182-I342 HydrophobicContact CD2-CG1 4.3Å; L182-I342 HydrophobicContact CD2-CG2 4.06Å; L182-I342 HydrophobicContact CG-CG2 4.46Å; L182-M472 HydrophobicContact CD2-CE 4.26Å; L182-N686 HydrophobicContact CD1-CB 3.91Å; L182-N686 HydrophobicContact CG-CB 4.07Å
183	N	95.4	Very high	95.2	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.064	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-40.8	171.6	-73.1	-23.2	0	0	0	111.2	V177 N180 S181 F185 A186 Q187	V177-N183 HydrophobicContact CG1-CB 4.21Å; V177-N183 PolarHBondContact O-ND2 3.05Å; N180-N183 HydrophobicContact CB-CB 4.32Å; N180-N183 WeakPolarHBondContact O-CB 3.49Å; N180-N183 PolarHBondContact O-N 2.96Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.49Å; N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.07Å; N183-A186 PolarHBondContact O-N 3.38Å; N183-Q187 VanDerWaalsContact O-CB 3.32Å; N183-Q187 WeakPolarHBondContact O-CB 3.37Å; N183-Q187 PolarHBondContact O-N 3.08Å
184	R	94.7	Very high	95.3	Very high	55 Å²	55	20.7 Å²	20.7	21%	0.208	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-41.8	172.6	-65.4	-176.7	-175.9	-138.1	1.2	111.4	F178 N180 S181 T188 W478 E482	F178-R184 HydrophobicContact CB-CG 4.06Å; F178-R184 HydrophobicContact CD1-CB 4.43Å; F178-R184 HydrophobicContact CD1-CG 3.62Å; F178-R184 HydrophobicContact CG-CG 4.26Å; F178-R184 PolarHBondContact O-NE 3.35Å; F178-R184 PolarHBondContact O-NH2 3.07Å; F178-R184 VanDerWaalsContact O-NH2 3.16Å; N180-R184 PolarHBondContact O-N 3.06Å; S181-R184 WeakPolarHBondContact O-CB 3.5Å; S181-R184 PolarHBondContact O-N 2.92Å; R184-T188 VanDerWaalsContact O-CB 3.32Å; R184-T188 WeakPolarHBondContact O-CB 3.35Å; R184-T188 PolarHBondContact O-N 2.9Å; R184-T188 PolarHBondContact O-OG1 2.83Å; R184-W478 VanDerWaalsContact CZ-CH2 3.49Å; R184-E482 IonicContact CZ-OE2 3.12Å; R184-E482 IonicContact NH1-OE2 3.2Å; R184-E482 PolarHBondContact NH1-OE2 3.18Å; R184-E482 IonicContact NH2-OE2 2.71Å
185	F	97.7	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-51	178.1	-171.8	-105.9	0	0	0	111.9	S181 L182 N183 T188 I189 L278 C294 I342 V345 T470 M472	S181-F185 PolarHBondContact O-N 3.44Å; L182-F185 WeakPolarHBondContact O-CB 3.38Å; L182-F185 PolarHBondContact O-N 3.09Å; N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.07Å; F185-T188 PolarHBondContact O-N 2.97Å; F185-I189 HydrophobicContact CD1-CD1 3.82Å; F185-I189 HydrophobicContact CE1-CD1 3.57Å; F185-I189 HydrophobicContact CZ-CD1 4.07Å; F185-I189 WeakPolarHBondContact O-CG1 3.33Å; F185-I189 PolarHBondContact O-N 3.04Å; F185-I189 VanDerWaalsContact O-N 3.09Å; F185-L278 HydrophobicContact CD2-CD1 4.48Å; F185-L278 HydrophobicContact CD2-CD2 4.06Å; F185-L278 HydrophobicContact CE2-CD2 4.33Å; F185-C294 HydrophobicContact CE2-CB 4.26Å; F185-C294 HydrophobicContact CZ-CB 4.38Å; F185-I342 HydrophobicContact CD1-CD1 3.84Å; F185-I342 HydrophobicContact CD1-CG2 4.3Å; F185-I342 HydrophobicContact CE1-CD1 3.49Å; F185-I342 VanDerWaalsContact CE1-CD1 3.49Å; F185-I342 HydrophobicContact CZ-CD1 4.2Å; F185-V345 HydrophobicContact CD1-CG1 4.49Å; F185-V345 HydrophobicContact CD1-CG2 3.95Å; F185-V345 HydrophobicContact CE1-CB 4.42Å; F185-V345 HydrophobicContact CE1-CG1 4.05Å; F185-V345 HydrophobicContact CE1-CG2 4.32Å; F185-T470 HydrophobicContact CD2-CG2 4.07Å; F185-T470 HydrophobicContact CE2-CG2 3.55Å; F185-T470 HydrophobicContact CZ-CG2 4.08Å; F185-M472 HydrophobicContact CB-CE 3.98Å; F185-M472 HydrophobicContact CB-SD 4.08Å; F185-M472 HydrophobicContact CD2-CB 3.62Å; F185-M472 HydrophobicContact CD2-CE 4.21Å; F185-M472 HydrophobicContact CD2-CG 4.48Å; F185-M472 HydrophobicContact CD2-SD 4.09Å; F185-M472 HydrophobicContact CE2-CB 3.84Å; F185-M472 HydrophobicContact CG-CE 4.32Å
186	A	97.8	Very high	95.3	Very high	17 Å²	17	24.3 Å²	24.3	14%	0.14	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-46	177.4	0	0	0	0	0	112	L182 N183 T188 I189 Q190 R344 V345	L182-A186 WeakPolarHBondContact O-CB 3.47Å; L182-A186 PolarHBondContact O-N 2.92Å; N183-A186 PolarHBondContact O-N 3.38Å; A186-T188 VanDerWaalsContact C-N 3.35Å; A186-T188 PolarHBondContact O-N 3.02Å; A186-I189 WeakPolarHBondContact O-CB 3.43Å; A186-I189 PolarHBondContact O-N 2.84Å; A186-Q190 PolarHBondContact O-N 3.31Å; A186-R344 HydrophobicContact CB-CB 3.93Å; A186-V345 HydrophobicContact CB-CG2 3.68Å
187	Q	97.4	Very high	95.5	Very high	39 Å²	39	24.6 Å²	24.6	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-43.2	178.1	-172.5	60.5	70.7	0	0	111.8	F178 N183 I189 Q190 N191 V201	F178-Q187 HydrophobicContact CE1-CB 3.99Å; F178-Q187 HydrophobicContact CE1-CG 4.09Å; F178-Q187 HydrophobicContact CZ-CG 4.14Å; N183-Q187 VanDerWaalsContact O-CB 3.32Å; N183-Q187 WeakPolarHBondContact O-CB 3.37Å; N183-Q187 PolarHBondContact O-N 3.08Å; Q187-I189 VanDerWaalsContact C-N 3.28Å; Q187-I189 PolarHBondContact O-N 2.81Å; Q187-Q190 PolarHBondContact O-N 2.98Å; Q187-N191 PolarHBondContact NE2-ND2 3.36Å; Q187-N191 PolarHBondContact O-N 2.95Å; Q187-N191 PolarHBondContact O-OD1 3.43Å; Q187-V201 HydrophobicContact CG-CG1 4.48Å; Q187-V201 HydrophobicContact CG-CG2 3.84Å
188	T	97.8	Very high	95.6	Very high	31 Å²	31	23.7 Å²	23.7	19%	0.19	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-40.6	177	-61.2	0	0	0	0	111.4	R184 F185 A186 N192 V276 L278	R184-T188 VanDerWaalsContact O-CB 3.32Å; R184-T188 WeakPolarHBondContact O-CB 3.35Å; R184-T188 PolarHBondContact O-N 2.9Å; R184-T188 PolarHBondContact O-OG1 2.83Å; F185-T188 PolarHBondContact O-N 2.97Å; A186-T188 VanDerWaalsContact C-N 3.35Å; A186-T188 PolarHBondContact O-N 3.02Å; T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 3.48Å; T188-N192 VanDerWaalsContact O-N 3.1Å; T188-N192 PolarHBondContact O-ND2 3.06Å; T188-V276 HydrophobicContact CG2-CG1 3.69Å; T188-L278 HydrophobicContact CG2-CD1 4.49Å; T188-L278 HydrophobicContact CG2-CD2 4.32Å
189	I	98.5	Very high	95.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-50.9	176.2	-70.4	163.9	0	0	0	110.2	F185 A186 Q187 N191 N192 L193 S296 S298 V345 L468 T470	F185-I189 HydrophobicContact CD1-CD1 3.82Å; F185-I189 HydrophobicContact CE1-CD1 3.57Å; F185-I189 HydrophobicContact CZ-CD1 4.07Å; F185-I189 WeakPolarHBondContact O-CG1 3.33Å; F185-I189 PolarHBondContact O-N 3.04Å; F185-I189 VanDerWaalsContact O-N 3.09Å; A186-I189 WeakPolarHBondContact O-CB 3.43Å; A186-I189 PolarHBondContact O-N 2.84Å; Q187-I189 VanDerWaalsContact C-N 3.28Å; Q187-I189 PolarHBondContact O-N 2.81Å; I189-N191 VanDerWaalsContact C-N 3.34Å; I189-N191 PolarHBondContact O-N 3.11Å; I189-N192 PolarHBondContact O-N 3.41Å; I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 PolarHBondContact O-N 2.54Å; I189-S296 WeakPolarHBondContact CD1-OG 3.5Å; I189-S298 WeakPolarHBondContact CG2-OG 3.49Å; I189-V345 HydrophobicContact CD1-CB 4.31Å; I189-V345 HydrophobicContact CD1-CG1 3.31Å; I189-V345 HydrophobicContact CD1-CG2 3.94Å; I189-L468 HydrophobicContact CG2-CD2 4.42Å; I189-T470 HydrophobicContact CG1-CG2 4Å; I189-T470 WeakPolarHBondContact CG1-OG1 3.34Å
190	Q	97.4	Very high	96.2	Very high	31 Å²	31	26.5 Å²	26.5	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-46.5	-179.5	-167.1	-176.4	55.8	0	0	111.4	S109 A186 Q187 N192 L193 F194	S109-Q190 PolarHBondContact OG-NE2 3.36Å; A186-Q190 PolarHBondContact O-N 3.31Å; Q187-Q190 PolarHBondContact O-N 2.98Å; Q190-N192 VanDerWaalsContact C-N 3.28Å; Q190-N192 PolarHBondContact O-N 3.27Å; Q190-L193 PolarHBondContact O-N 3.36Å; Q190-F194 PolarHBondContact O-N 2.89Å
191	N	97.6	Very high	96.5	Very high	30 Å²	30	26.5 Å²	26.5	16%	0.16	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-36.7	179.6	-60.9	142.9	0	0	0	113.2	Q187 I189 P195 Y198 G199	Q187-N191 PolarHBondContact NE2-ND2 3.36Å; Q187-N191 PolarHBondContact O-N 2.95Å; Q187-N191 PolarHBondContact O-OD1 3.43Å; I189-N191 VanDerWaalsContact C-N 3.34Å; I189-N191 PolarHBondContact O-N 3.11Å; N191-P195 WeakPolarHBondContact O-CA 3.41Å; N191-Y198 VanDerWaalsContact CA-O 3.23Å; N191-Y198 WeakPolarHBondContact CA-O 3.47Å; N191-Y198 PolarHBondContact ND2-O 3.44Å; N191-G199 PolarHBondContact ND2-O 2.66Å
192	N	98.1	Very high	96.6	Very high	63 Å²	63	26.2 Å²	26.2	34%	0.337	14%	0.141	S	C	.	.	H	α-helix	trans	-90.1	-27.9	-177.2	-75.7	-86.8	0	0	0	113.2	T188 I189 Q190 W270 V276 L468	T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 3.48Å; T188-N192 VanDerWaalsContact O-N 3.1Å; T188-N192 PolarHBondContact O-ND2 3.06Å; I189-N192 PolarHBondContact O-N 3.41Å; Q190-N192 VanDerWaalsContact C-N 3.28Å; Q190-N192 PolarHBondContact O-N 3.27Å; N192-W270 WeakPolarHBondContact O-CH2 3.41Å; N192-W270 WeakPolarHBondContact O-CZ2 3.48Å; N192-V276 HydrophobicContact CB-CG2 4.01Å; N192-L468 HydrophobicContact CB-CD1 4.39Å; N192-L468 HydrophobicContact CB-CD2 3.7Å
193	L	97.9	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-77	-39.4	179.7	-170.5	66.3	0	0	0	111.2	I189 Q190 P195 W270 H466 L468	I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 PolarHBondContact O-N 2.54Å; Q190-L193 PolarHBondContact O-N 3.36Å; L193-P195 VanDerWaalsContact C-CD 3.44Å; L193-P195 WeakPolarHBondContact O-CD 3.42Å; L193-W270 HydrophobicContact CD1-CH2 4.2Å; L193-W270 WeakPolarHBondContact O-CZ2 3.41Å; L193-H466 PolarHBondContact O-NE2 3Å; L193-L468 HydrophobicContact CB-CD2 4.23Å; L193-L468 HydrophobicContact CD1-CB 3.92Å
194	F	97.1	Very high	96.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.143	C	C	.	.	S	Bend	trans	-127.4	61.3	-177.2	-50.8	-42.1	0	0	0	113.4	Q190 Q196 Y198 G199 E267 R300 T354	Q190-F194 PolarHBondContact O-N 2.89Å; F194-Q196 PolarHBondContact O-N 3.47Å; F194-Q196 VanDerWaalsContact O-N 3.13Å; F194-Y198 HydrophobicContact CB-CD2 3.65Å; F194-Y198 HydrophobicContact CB-CG 4.37Å; F194-Y198 HydrophobicContact CD2-CD2 4.11Å; F194-Y198 HydrophobicContact CG-CD2 4.25Å; F194-Y198 CarbonylContact O-C 3.49Å; F194-Y198 WeakPolarHBondContact O-CA 3.45Å; F194-Y198 PolarHBondContact O-N 3.46Å; F194-G199 PolarHBondContact O-N 3.13Å; F194-G199 VanDerWaalsContact O-N 3.11Å; F194-E267 VanDerWaalsContact CA-OE2 3.25Å; F194-E267 WeakPolarHBondContact CA-OE2 3.31Å; F194-E267 HydrophobicContact CB-CG 4.46Å; F194-E267 HydrophobicContact CD1-CB 3.99Å; F194-E267 HydrophobicContact CD1-CG 3.93Å; F194-R300 HydrophobicContact CE1-CB 4Å; F194-R300 HydrophobicContact CE1-CG 3.97Å; F194-T354 HydrophobicContact CE1-CG2 4Å; F194-T354 WeakPolarHBondContact CE2-O 3.42Å; F194-T354 HydrophobicContact CZ-CG2 4.4Å; F194-T354 WeakPolarHBondContact CZ-O 3.4Å
195	P	95.4	Very high	96.8	Very high	53 Å²	53	24 Å²	24	34%	0.344	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.2	-170.5	27.4	-37.3	0	0	0	115.4	N191 L193	N191-P195 WeakPolarHBondContact O-CA 3.41Å; L193-P195 VanDerWaalsContact C-CD 3.44Å; L193-P195 WeakPolarHBondContact O-CD 3.42Å
196	Q	92.6	Very high	96.6	Very high	77 Å²	77	24.8 Å²	24.8	36%	0.36	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-39.8	-175.8	-74.5	177.1	56	0	0	113.7	F194 P265 E267 C268	F194-Q196 PolarHBondContact O-N 3.47Å; F194-Q196 VanDerWaalsContact O-N 3.13Å; Q196-P265 HydrophobicContact CB-CG 4.49Å; Q196-E267 WeakPolarHBondContact CB-OE2 3.4Å; Q196-E267 WeakPolarHBondContact CG-OE1 3.29Å; Q196-E267 PolarHBondContact N-OE2 3.36Å; Q196-E267 VanDerWaalsContact N-OE2 3.08Å; Q196-E267 PolarHBondContact NE2-OE1 3.18Å; Q196-C268 VanDerWaalsContact NE2-CB 3.27Å; Q196-C268 PolarHBondContact NE2-SG 2.83Å
197	T	94.3	Very high	96.4	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.043	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-48.3	179.5	-63.9	0	0	0	0	110.6	V63 G199 V264 P265	V63-T197 HydrophobicContact CG1-CG2 3.52Å; T197-G199 PolarHBondContact O-N 2.95Å; T197-V264 HydrophobicContact CG2-CG1 4.09Å; T197-P265 WeakPolarHBondContact OG1-CD 3.34Å
198	Y	96.6	Very high	96.4	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.024	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.5	-175.5	-43.4	-73.6	0	0	0	112.4	D110 N191 F194 F200 V264 T352 R353	D110-Y198 HydrophobicContact CB-CE1 4.04Å; D110-Y198 WeakPolarHBondContact OD2-CE1 3.41Å; D110-Y198 PolarHBondContact OD2-OH 3.47Å; N191-Y198 VanDerWaalsContact CA-O 3.23Å; N191-Y198 WeakPolarHBondContact CA-O 3.47Å; N191-Y198 PolarHBondContact ND2-O 3.44Å; F194-Y198 HydrophobicContact CB-CD2 3.65Å; F194-Y198 HydrophobicContact CB-CG 4.37Å; F194-Y198 HydrophobicContact CD2-CD2 4.11Å; F194-Y198 HydrophobicContact CG-CD2 4.25Å; F194-Y198 CarbonylContact O-C 3.49Å; F194-Y198 WeakPolarHBondContact O-CA 3.45Å; F194-Y198 PolarHBondContact O-N 3.46Å; Y198-F200 PolarHBondContact O-N 3.31Å; Y198-V264 HydrophobicContact CE2-CG1 4.46Å; Y198-V264 WeakPolarHBondContact OH-CG1 3.28Å; Y198-T352 HydrophobicContact CD1-CG2 3.88Å; Y198-T352 HydrophobicContact CD2-CG2 3.94Å; Y198-T352 HydrophobicContact CE1-CG2 3.71Å; Y198-T352 VanDerWaalsContact CE2-CB 3.49Å; Y198-T352 HydrophobicContact CE2-CG2 3.79Å; Y198-T352 HydrophobicContact CG-CG2 3.96Å; Y198-T352 VanDerWaalsContact CZ-CB 3.44Å; Y198-R353 PolarHBondContact OH-N 3.31Å
199	G	96.5	Very high	96.4	Very high	22 Å²	22	30.4 Å²	30.4	23%	0.227	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.4	165.3	0	0	0	0	0	113.2	N191 F194 T197	N191-G199 PolarHBondContact ND2-O 2.66Å; F194-G199 PolarHBondContact O-N 3.13Å; F194-G199 VanDerWaalsContact O-N 3.11Å; T197-G199 PolarHBondContact O-N 2.95Å
200	F	96.7	Very high	96.3	Very high	65 Å²	65	30.6 Å²	30.6	29%	0.285	16%	0.161	S	C	.	.	S	Bend	trans	-102.9	150.8	178	-55.8	-64.4	0	0	0	112.3	P64 H65 D67 Y198 S202	P64-F200 HydrophobicContact CB-CB 4.07Å; P64-F200 HydrophobicContact CG-CB 4.42Å; H65-F200 WeakPolarHBondContact O-CE2 3.46Å; H65-F200 WeakPolarHBondContact O-CZ 3.47Å; D67-F200 WeakPolarHBondContact OD1-CA 3.35Å; Y198-F200 PolarHBondContact O-N 3.31Å; F200-S202 PolarHBondContact O-N 3.49Å
201	V	97	Very high	96.2	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	17%	0.169	C	C	.	.			trans	-85.4	98.8	172.9	-173.1	0	0	0	0	109.3	D67 M174 F178 Q187 A203 G204	D67-V201 PolarHBondContact OD1-N 3.14Å; M174-V201 HydrophobicContact CE-CG1 4.5Å; F178-V201 HydrophobicContact CE2-CG1 4.42Å; F178-V201 HydrophobicContact CZ-CG1 4.04Å; Q187-V201 HydrophobicContact CG-CG1 4.48Å; Q187-V201 HydrophobicContact CG-CG2 3.84Å; V201-A203 PolarHBondContact O-N 3.19Å; V201-G204 WeakPolarHBondContact O-CA 3.5Å; V201-G204 PolarHBondContact O-N 3.01Å
202	S	96.4	Very high	96.3	Very high	12 Å²	12	30.1 Å²	30.1	8%	0.084	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.5	-178.4	-178.4	0	0	0	0	113.2	G69 A108 F200 G204	G69-S202 WeakPolarHBondContact CA-O 3.33Å; A108-S202 WeakPolarHBondContact O-CB 3.42Å; A108-S202 PolarHBondContact O-OG 3.02Å; F200-S202 PolarHBondContact O-N 3.49Å; S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 2.8Å
203	A	96.1	Very high	96.2	Very high	26 Å²	26	30.5 Å²	30.5	22%	0.215	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.6	177.9	0	0	0	0	0	114.4	H72 M174 V201	H72-A203 PolarHBondContact ND1-O 3.45Å; M174-A203 HydrophobicContact CE-CB 3.6Å; M174-A203 HydrophobicContact SD-CB 3.64Å; V201-A203 PolarHBondContact O-N 3.19Å
204	G	97.7	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.			trans	96.3	135	-179.1	0	0	0	0	0	113.9	D67 M174 V201 S202	D67-G204 WeakPolarHBondContact O-CA 3.26Å; M174-G204 WeakPolarHBondContact CE-O 3.21Å; V201-G204 WeakPolarHBondContact O-CA 3.5Å; V201-G204 PolarHBondContact O-N 3.01Å; S202-G204 VanDerWaalsContact C-N 3.26Å; S202-G204 PolarHBondContact O-N 2.8Å
205	S	96.1	Very high	96.3	Very high	14 Å²	14	37.9 Å²	37.9	10%	0.098	20%	0.199	C	C	.	.			trans	-85.9	133.3	169.7	-156.2	0	0	0	0	109.9	D67 E207 R208 I209	D67-S205 PolarHBondContact O-N 3.05Å; S205-E207 VanDerWaalsContact CB-OE1 3.29Å; S205-E207 WeakPolarHBondContact CB-OE1 3.15Å; S205-E207 PolarHBondContact O-N 3Å; S205-E207 VanDerWaalsContact O-N 3.07Å; S205-E207 PolarHBondContact OG-OE1 3.33Å; S205-E207 PolarHBondContact OG-OE2 3.44Å; S205-R208 CarbonylContact O-C 3.53Å; S205-R208 WeakPolarHBondContact O-CA 3.32Å; S205-R208 PolarHBondContact O-N 3.05Å; S205-I209 WeakPolarHBondContact O-CG1 3.31Å; S205-I209 PolarHBondContact O-N 3.39Å
206	P	93.9	Very high	96.4	Very high	18 Å²	18	38.3 Å²	38.3	12%	0.117	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.4	-176.5	-30.4	36.4	0	0	0	114.6	F171 M174 F178 R208 P210	F171-P206 HydrophobicContact CE2-CB 4.23Å; F171-P206 WeakPolarHBondContact CE2-O 3.45Å; M174-P206 HydrophobicContact CB-CG 4.19Å; F178-P206 HydrophobicContact CD2-CG 3.87Å; F178-P206 HydrophobicContact CE2-CG 4.49Å; P206-R208 VanDerWaalsContact C-N 3.31Å; P206-R208 PolarHBondContact O-N 3.36Å; P206-P210 WeakPolarHBondContact O-CD 3.45Å
207	E	94.1	Very high	96.6	Very high	93 Å²	93	34.7 Å²	34.7	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.2	178.3	70.3	-73.1	173.5	0	0	114	S205	S205-E207 VanDerWaalsContact CB-OE1 3.29Å; S205-E207 WeakPolarHBondContact CB-OE1 3.15Å; S205-E207 PolarHBondContact O-N 3Å; S205-E207 VanDerWaalsContact O-N 3.07Å; S205-E207 PolarHBondContact OG-OE1 3.33Å; S205-E207 PolarHBondContact OG-OE2 3.44Å
208	R	96.5	Very high	96.8	Very high	111 Å²	111	38.7 Å²	38.7	42%	0.419	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-23.1	-178.1	-62.2	-58.2	-59.2	-164	-2.5	113.6	D67 S205 P206 P210 T211	D67-R208 HydrophobicContact CB-CB 3.61Å; D67-R208 HydrophobicContact CB-CG 3.71Å; D67-R208 VanDerWaalsContact O-CB 3.28Å; D67-R208 WeakPolarHBondContact O-CB 3.2Å; S205-R208 CarbonylContact O-C 3.53Å; S205-R208 WeakPolarHBondContact O-CA 3.32Å; S205-R208 PolarHBondContact O-N 3.05Å; P206-R208 VanDerWaalsContact C-N 3.31Å; P206-R208 PolarHBondContact O-N 3.36Å; R208-P210 VanDerWaalsContact C-N 3.26Å; R208-T211 WeakPolarHBondContact O-CB 3.42Å; R208-T211 WeakPolarHBondContact O-CG2 3.43Å; R208-T211 PolarHBondContact O-N 2.79Å; R208-T211 PolarHBondContact O-OG1 3.21Å
209	I	97.7	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-50	-43.6	173.3	-73.1	165.7	0	0	0	111.4	W150 V170 F171 M174 S205 T211 L212	W150-I209 HydrophobicContact CB-CG2 4.06Å; W150-I209 VanDerWaalsContact CD1-O 3.32Å; W150-I209 HydrophobicContact CG-CG2 4.17Å; W150-I209 PolarHBondContact NE1-O 3.47Å; V170-I209 HydrophobicContact CG1-CD1 4.21Å; F171-I209 HydrophobicContact CB-CG2 4.36Å; M174-I209 HydrophobicContact CB-CD1 3.96Å; M174-I209 HydrophobicContact CG-CD1 3.93Å; S205-I209 WeakPolarHBondContact O-CG1 3.31Å; S205-I209 PolarHBondContact O-N 3.39Å; I209-T211 PolarHBondContact O-N 3.25Å; I209-L212 WeakPolarHBondContact O-CB 3.45Å; I209-L212 PolarHBondContact O-N 3.37Å
210	P	96.6	Very high	96.6	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.039	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.1	-0.1	176	-25.4	36.4	0	0	0	116.7	W150 L166 P206 R208 L493	W150-P210 HydrophobicContact CD2-CB 4Å; W150-P210 HydrophobicContact CD2-CG 4.48Å; W150-P210 HydrophobicContact CE3-CB 3.9Å; W150-P210 HydrophobicContact CE3-CG 4.42Å; W150-P210 HydrophobicContact CH2-CB 4.15Å; W150-P210 VanDerWaalsContact CH2-O 3.29Å; W150-P210 WeakPolarHBondContact CH2-O 3.49Å; W150-P210 HydrophobicContact CZ2-CB 4.26Å; W150-P210 WeakPolarHBondContact CZ2-O 3.46Å; W150-P210 HydrophobicContact CZ3-CB 3.97Å; L166-P210 HydrophobicContact CD1-CG 4.22Å; L166-P210 HydrophobicContact CD2-CG 4.2Å; P206-P210 WeakPolarHBondContact O-CD 3.45Å; R208-P210 VanDerWaalsContact C-N 3.26Å; P210-L493 HydrophobicContact CB-CD1 3.56Å; P210-L493 HydrophobicContact CB-CD2 3.97Å; P210-L493 HydrophobicContact CB-CG 4.43Å; P210-L493 HydrophobicContact CG-CD1 4.01Å
211	T	96.3	Very high	96.6	Very high	51 Å²	51	41.8 Å²	41.8	31%	0.313	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-91	-14.8	173.3	68.8	0	0	0	0	112.8	R208 I209 T213	R208-T211 WeakPolarHBondContact O-CB 3.42Å; R208-T211 WeakPolarHBondContact O-CG2 3.43Å; R208-T211 PolarHBondContact O-N 2.79Å; R208-T211 PolarHBondContact O-OG1 3.21Å; I209-T211 PolarHBondContact O-N 3.25Å; T211-T213 PolarHBondContact O-N 2.88Å
212	L	98	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.236	C	C	.	.			trans	-68.5	126.2	176.8	179	55.7	0	0	0	110.3	V70 V73 F145 W150 I209 Y216 L217	V70-L212 HydrophobicContact CB-CD1 3.96Å; V70-L212 HydrophobicContact CG2-CD1 3.83Å; V73-L212 HydrophobicContact CB-CD2 3.69Å; V73-L212 HydrophobicContact CG1-CD2 3.94Å; V73-L212 HydrophobicContact CG2-CD2 3.74Å; F145-L212 HydrophobicContact CE2-CD2 3.91Å; F145-L212 HydrophobicContact CE2-CG 3.85Å; F145-L212 HydrophobicContact CZ-CG 4.25Å; F145-L212 WeakPolarHBondContact CZ-O 3.46Å; W150-L212 PolarHBondContact NE1-O 3.45Å; I209-L212 WeakPolarHBondContact O-CB 3.45Å; I209-L212 PolarHBondContact O-N 3.37Å; L212-Y216 HydrophobicContact CD1-CD1 3.57Å; L212-Y216 HydrophobicContact CD1-CE1 4.41Å; L212-Y216 HydrophobicContact CD1-CG 4.38Å; L212-L217 HydrophobicContact CD1-CB 4.25Å; L212-L217 HydrophobicContact CD2-CD1 4.2Å
213	T	97.6	Very high	96.3	Very high	70 Å²	70	51 Å²	51	43%	0.429	25%	0.248	S	C	.	.			trans	-100.8	154.9	172.8	64.8	0	0	0	0	111	T211 E215 Y216 L217	T211-T213 PolarHBondContact O-N 2.88Å; T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact O-N 2.88Å; T213-Y216 PolarHBondContact O-N 3.47Å; T213-Y216 WeakPolarHBondContact OG1-CB 3.17Å; T213-Y216 PolarHBondContact OG1-N 3.4Å; T213-L217 PolarHBondContact O-N 3.44Å; T213-L217 VanDerWaalsContact O-N 3.08Å
214	Y	97.9	Very high	96.3	Very high	39 Å²	39	50.3 Å²	50.3	15%	0.153	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-41.7	177	171.6	-121.6	0	0	0	111.9	I140 E142 F145 Y216 L217 K218	I140-Y214 HydrophobicContact CG2-CE2 4.09Å; I140-Y214 VanDerWaalsContact O-CE2 3.25Å; I140-Y214 WeakPolarHBondContact O-CE2 3.41Å; I140-Y214 PolarHBondContact O-OH 2.88Å; E142-Y214 HydrophobicContact CB-CD1 4.12Å; E142-Y214 HydrophobicContact CB-CD2 4.35Å; E142-Y214 HydrophobicContact CB-CE1 4.01Å; E142-Y214 HydrophobicContact CB-CE2 4.24Å; E142-Y214 HydrophobicContact CB-CG 4.29Å; E142-Y214 HydrophobicContact CG-CD1 4.17Å; E142-Y214 HydrophobicContact CG-CG 4.19Å; F145-Y214 HydrophobicContact CB-CD2 3.93Å; F145-Y214 HydrophobicContact CD1-CD2 4.4Å; F145-Y214 HydrophobicContact CG-CD2 4.13Å; Y214-Y216 PolarHBondContact O-N 2.87Å; Y214-L217 PolarHBondContact O-N 2.94Å; Y214-K218 HydrophobicContact CE1-CD 4.07Å; Y214-K218 HydrophobicContact CE2-CD 4.14Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.15Å; Y214-K218 VanDerWaalsContact O-N 3.13Å
215	E	98.2	Very high	96.2	Very high	118 Å²	118	50.6 Å²	50.6	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-62	-43.3	177.4	-68.3	69.3	-154.9	0	0	111.7	T213 K218 E219	T213-E215 VanDerWaalsContact C-N 3.3Å; T213-E215 PolarHBondContact O-N 2.88Å; E215-K218 PolarHBondContact O-N 3.26Å; E215-E219 PolarHBondContact O-N 2.91Å
216	Y	97.2	Very high	96.2	Very high	63 Å²	63	51.2 Å²	51.2	25%	0.247	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-41.3	178.2	-171.9	-130	0	0	0	111.7	D66 V70 L212 T213 Y214 K218 E219 F220	D66-Y216 VanDerWaalsContact OD2-CE1 3.29Å; D66-Y216 WeakPolarHBondContact OD2-CE1 3.41Å; D66-Y216 PolarHBondContact OD2-OH 2.86Å; V70-Y216 HydrophobicContact CG2-CD1 4.5Å; L212-Y216 HydrophobicContact CD1-CD1 3.57Å; L212-Y216 HydrophobicContact CD1-CE1 4.41Å; L212-Y216 HydrophobicContact CD1-CG 4.38Å; T213-Y216 PolarHBondContact O-N 3.47Å; T213-Y216 WeakPolarHBondContact OG1-CB 3.17Å; T213-Y216 PolarHBondContact OG1-N 3.4Å; Y214-Y216 PolarHBondContact O-N 2.87Å; Y216-K218 PolarHBondContact O-N 3.48Å; Y216-E219 PolarHBondContact O-N 3.32Å; Y216-F220 HydrophobicContact CD2-CD2 4.04Å; Y216-F220 AromaticContact CD2-CE2 3.9Å; Y216-F220 HydrophobicContact CD2-CE2 3.9Å; Y216-F220 HydrophobicContact CE1-CD2 4.49Å; Y216-F220 HydrophobicContact CE1-CE2 4.03Å; Y216-F220 HydrophobicContact CE1-CZ 4.45Å; Y216-F220 AromaticContact CE2-CD2 3.83Å; Y216-F220 HydrophobicContact CE2-CD2 3.83Å; Y216-F220 AromaticContact CE2-CE2 3.2Å; Y216-F220 HydrophobicContact CE2-CE2 3.2Å; Y216-F220 HydrophobicContact CE2-CZ 4.11Å; Y216-F220 HydrophobicContact CG-CD2 4.49Å; Y216-F220 AromaticContact CZ-CE2 3.26Å; Y216-F220 AromaticContact CZ-CZ 3.74Å; Y216-F220 WeakPolarHBondContact O-CD2 3.44Å; Y216-F220 PolarHBondContact O-N 2.87Å; Y216-F220 VanDerWaalsContact O-N 3.07Å; Y216-F220 WeakPolarHBondContact OH-CE2 3.27Å; Y216-F220 WeakPolarHBondContact OH-CZ 3.47Å
217	L	97.8	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-42.5	175.2	-178.6	137.1	0	0	0	112.5	V73 L74 I140 F145 L212 T213 Y214 F220 H221	V73-L217 HydrophobicContact CB-CD1 3.94Å; V73-L217 HydrophobicContact CG1-CD1 3.53Å; L74-L217 HydrophobicContact CB-CD1 4.2Å; L74-L217 HydrophobicContact CB-CG 4.31Å; L74-L217 HydrophobicContact CD1-CD2 3.86Å; L74-L217 HydrophobicContact CD1-CG 4.04Å; I140-L217 HydrophobicContact CG2-CD2 3.29Å; F145-L217 HydrophobicContact CD2-CD1 3.98Å; F145-L217 HydrophobicContact CE2-CD1 4.32Å; L212-L217 HydrophobicContact CD1-CB 4.25Å; L212-L217 HydrophobicContact CD2-CD1 4.2Å; T213-L217 PolarHBondContact O-N 3.44Å; T213-L217 VanDerWaalsContact O-N 3.08Å; Y214-L217 PolarHBondContact O-N 2.94Å; L217-F220 PolarHBondContact O-N 3.43Å; L217-H221 PolarHBondContact O-N 3.38Å; L217-H221 VanDerWaalsContact O-N 3.11Å
218	K	97.8	Very high	96.3	Very high	91 Å²	91	47.1 Å²	47.1	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-40.3	176	-68.5	-165.9	-45	-170.1	0	112.9	I140 Y214 E215 Y216 F220 H221 N222	I140-K218 HydrophobicContact CG2-CG 3.96Å; Y214-K218 HydrophobicContact CE1-CD 4.07Å; Y214-K218 HydrophobicContact CE2-CD 4.14Å; Y214-K218 HydrophobicContact CE2-CG 4.08Å; Y214-K218 PolarHBondContact O-N 3.15Å; Y214-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 PolarHBondContact O-N 3.26Å; Y216-K218 PolarHBondContact O-N 3.48Å; K218-F220 VanDerWaalsContact C-N 3.27Å; K218-F220 PolarHBondContact O-N 3Å; K218-H221 PolarHBondContact O-N 3.18Å; K218-N222 WeakPolarHBondContact O-CB 3.4Å; K218-N222 PolarHBondContact O-N 2.68Å
219	E	95.3	Very high	96.3	Very high	119 Å²	119	42.6 Å²	42.6	56%	0.556	21%	0.208	S	C	*	.	H	α-helix	trans	-59.7	-42.8	177.2	-174	-179.6	171.5	0	0	110.5	E215 Y216 N222 K223	E215-E219 PolarHBondContact O-N 2.91Å; Y216-E219 PolarHBondContact O-N 3.32Å; E219-N222 PolarHBondContact O-N 2.94Å; E219-K223 VanDerWaalsContact O-CB 3.31Å; E219-K223 WeakPolarHBondContact O-CB 3.21Å; E219-K223 PolarHBondContact O-N 2.97Å
220	F	93.7	Very high	96.3	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-43.6	176.9	-95.2	-113.3	0	0	0	113	V70 F71 L74 Y216 L217 K218 K223 Y224	V70-F220 HydrophobicContact CB-CD1 4.43Å; V70-F220 HydrophobicContact CG1-CD1 3.64Å; V70-F220 HydrophobicContact CG1-CE1 3.58Å; V70-F220 HydrophobicContact CG1-CG 4.29Å; V70-F220 HydrophobicContact CG1-CZ 4.21Å; V70-F220 HydrophobicContact CG2-CB 3.86Å; V70-F220 HydrophobicContact CG2-CD1 3.86Å; V70-F220 HydrophobicContact CG2-CD2 4.22Å; V70-F220 HydrophobicContact CG2-CE1 4.49Å; V70-F220 HydrophobicContact CG2-CG 3.69Å; F71-F220 HydrophobicContact CD1-CD1 4.31Å; F71-F220 AromaticContact CE1-CD1 3.58Å; F71-F220 HydrophobicContact CE1-CD1 3.58Å; F71-F220 HydrophobicContact CE1-CE1 4.08Å; F71-F220 HydrophobicContact CE2-CD1 4.22Å; F71-F220 AromaticContact CE2-CE1 3.94Å; F71-F220 HydrophobicContact CE2-CE1 3.94Å; F71-F220 AromaticContact CZ-CD1 3.54Å; F71-F220 HydrophobicContact CZ-CD1 3.54Å; F71-F220 AromaticContact CZ-CE1 3.52Å; F71-F220 HydrophobicContact CZ-CE1 3.52Å; L74-F220 HydrophobicContact CD2-CB 4.43Å; Y216-F220 HydrophobicContact CD2-CD2 4.04Å; Y216-F220 AromaticContact CD2-CE2 3.9Å; Y216-F220 HydrophobicContact CD2-CE2 3.9Å; Y216-F220 HydrophobicContact CE1-CD2 4.49Å; Y216-F220 HydrophobicContact CE1-CE2 4.03Å; Y216-F220 HydrophobicContact CE1-CZ 4.45Å; Y216-F220 AromaticContact CE2-CD2 3.83Å; Y216-F220 HydrophobicContact CE2-CD2 3.83Å; Y216-F220 AromaticContact CE2-CE2 3.2Å; Y216-F220 HydrophobicContact CE2-CE2 3.2Å; Y216-F220 HydrophobicContact CE2-CZ 4.11Å; Y216-F220 HydrophobicContact CG-CD2 4.49Å; Y216-F220 AromaticContact CZ-CE2 3.26Å; Y216-F220 AromaticContact CZ-CZ 3.74Å; Y216-F220 WeakPolarHBondContact O-CD2 3.44Å; Y216-F220 PolarHBondContact O-N 2.87Å; Y216-F220 VanDerWaalsContact O-N 3.07Å; Y216-F220 WeakPolarHBondContact OH-CE2 3.27Å; Y216-F220 WeakPolarHBondContact OH-CZ 3.47Å; L217-F220 PolarHBondContact O-N 3.43Å; K218-F220 VanDerWaalsContact C-N 3.27Å; K218-F220 PolarHBondContact O-N 3Å; F220-K223 PolarHBondContact O-N 2.9Å; F220-Y224 HydrophobicContact CB-CD2 4.33Å; F220-Y224 AromaticContact CD1-CD2 3.62Å; F220-Y224 HydrophobicContact CD1-CD2 3.62Å; F220-Y224 AromaticContact CD1-CE2 3.54Å; F220-Y224 HydrophobicContact CD1-CE2 3.54Å; F220-Y224 HydrophobicContact CD2-CE2 4.47Å; F220-Y224 HydrophobicContact CE1-CD2 4.09Å; F220-Y224 AromaticContact CE1-CE2 3.56Å; F220-Y224 HydrophobicContact CE1-CE2 3.56Å; F220-Y224 HydrophobicContact CE2-CE2 4.44Å; F220-Y224 HydrophobicContact CG-CD2 4.07Å; F220-Y224 HydrophobicContact CG-CE2 4.04Å; F220-Y224 HydrophobicContact CZ-CE2 4.04Å; F220-Y224 WeakPolarHBondContact O-CB 3.41Å; F220-Y224 WeakPolarHBondContact O-CD2 3.43Å; F220-Y224 PolarHBondContact O-N 3.24Å
221	H	96.7	Very high	96.3	Very high	26 Å²	26	43.4 Å²	43.4	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-54.6	173.4	-179.2	-91.4	0	0	0	111.2	L74 V135 P138 I140 L217 K218 K223 Y224 Y225	L74-H221 HydrophobicContact CD1-CB 3.83Å; L74-H221 HydrophobicContact CD2-CB 3.95Å; V135-H221 PolarHBondContact O-NE2 3.34Å; P138-H221 WeakPolarHBondContact CD-NE2 3.36Å; P138-H221 WeakPolarHBondContact CG-NE2 3.33Å; I140-H221 HydrophobicContact CD1-CB 3.55Å; I140-H221 VanDerWaalsContact CD1-CG 3.41Å; L217-H221 PolarHBondContact O-N 3.38Å; L217-H221 VanDerWaalsContact O-N 3.11Å; K218-H221 PolarHBondContact O-N 3.18Å; H221-K223 PolarHBondContact O-N 2.85Å; H221-K223 VanDerWaalsContact O-N 3.11Å; H221-Y224 PolarHBondContact O-N 3.37Å; H221-Y225 VanDerWaalsContact CD2-CB 3.49Å; H221-Y225 WeakPolarHBondContact CD2-CB 3.26Å; H221-Y225 AromaticContact CD2-CD1 3.4Å; H221-Y225 VanDerWaalsContact CD2-CD1 3.4Å; H221-Y225 WeakPolarHBondContact CD2-CD1 3.21Å; H221-Y225 AromaticContact CD2-CD2 3.95Å; H221-Y225 AromaticContact CD2-CG 3.31Å; H221-Y225 WeakPolarHBondContact NE2-CB 3.48Å; H221-Y225 AromaticContact NE2-CD1 3.54Å; H221-Y225 AromaticContact NE2-CG 3.63Å; H221-Y225 VanDerWaalsContact O-CB 3.31Å; H221-Y225 WeakPolarHBondContact O-CB 3.32Å; H221-Y225 PolarHBondContact O-N 3.32Å
222	N	94.3	Very high	96.4	Very high	136 Å²	136	41 Å²	41	73%	0.727	20%	0.199	S	C	*	.	H	α-helix	trans	-57.4	-33	-177.5	-179.1	71.4	0	0	0	112.6	K218 E219	K218-N222 WeakPolarHBondContact O-CB 3.4Å; K218-N222 PolarHBondContact O-N 2.68Å; E219-N222 PolarHBondContact O-N 2.94Å
223	K	92.9	Very high	96.5	Very high	76 Å²	76	41 Å²	41	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-83.1	-48.1	180	-170.1	173.7	-179.4	-175.3	0	113.4	E219 F220 H221 E260	E219-K223 VanDerWaalsContact O-CB 3.31Å; E219-K223 WeakPolarHBondContact O-CB 3.21Å; E219-K223 PolarHBondContact O-N 2.97Å; F220-K223 PolarHBondContact O-N 2.9Å; H221-K223 PolarHBondContact O-N 2.85Å; H221-K223 VanDerWaalsContact O-N 3.11Å; K223-E260 WeakPolarHBondContact CE-OE2 3.27Å
224	Y	95.1	Very high	96.5	Very high	11 Å²	11	37.7 Å²	37.7	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-102.5	-18.7	-167.1	-59.8	-63.6	0	0	0	114.5	F71 F220 H221 H226 N229 N262	F71-Y224 AromaticContact CE1-CD2 3.96Å; F71-Y224 HydrophobicContact CE1-CD2 3.96Å; F71-Y224 HydrophobicContact CE1-CG 4.4Å; F71-Y224 HydrophobicContact CZ-CD2 4.08Å; F71-Y224 HydrophobicContact CZ-CE2 4.32Å; F220-Y224 HydrophobicContact CB-CD2 4.33Å; F220-Y224 AromaticContact CD1-CD2 3.62Å; F220-Y224 HydrophobicContact CD1-CD2 3.62Å; F220-Y224 AromaticContact CD1-CE2 3.54Å; F220-Y224 HydrophobicContact CD1-CE2 3.54Å; F220-Y224 HydrophobicContact CD2-CE2 4.47Å; F220-Y224 HydrophobicContact CE1-CD2 4.09Å; F220-Y224 AromaticContact CE1-CE2 3.56Å; F220-Y224 HydrophobicContact CE1-CE2 3.56Å; F220-Y224 HydrophobicContact CE2-CE2 4.44Å; F220-Y224 HydrophobicContact CG-CD2 4.07Å; F220-Y224 HydrophobicContact CG-CE2 4.04Å; F220-Y224 HydrophobicContact CZ-CE2 4.04Å; F220-Y224 WeakPolarHBondContact O-CB 3.41Å; F220-Y224 WeakPolarHBondContact O-CD2 3.43Å; F220-Y224 PolarHBondContact O-N 3.24Å; H221-Y224 PolarHBondContact O-N 3.37Å; Y224-H226 PolarHBondContact O-N 3.44Å; Y224-H226 VanDerWaalsContact O-N 3.1Å; Y224-N229 PolarHBondContact O-ND2 3.48Å; Y224-N262 HydrophobicContact CD1-CB 4.41Å; Y224-N262 HydrophobicContact CE1-CB 4.12Å
225	Y	96	Very high	96.5	Very high	6 Å²	6	35.8 Å²	35.8	2%	0.024	17%	0.172	C	C	.	.	S	Bend	trans	-87.1	40.4	176.4	-77.3	-126.5	0	0	0	111.5	L60 L74 V78 Y114 V135 F136 H221	L60-Y225 HydrophobicContact CD1-CD1 3.43Å; L60-Y225 VanDerWaalsContact CD1-CD1 3.43Å; L60-Y225 HydrophobicContact CD1-CD2 3.94Å; L60-Y225 HydrophobicContact CD1-CE1 3.52Å; L60-Y225 HydrophobicContact CD1-CE2 3.98Å; L60-Y225 HydrophobicContact CD1-CG 3.65Å; L74-Y225 HydrophobicContact CD2-CD2 3.8Å; L74-Y225 HydrophobicContact CD2-CE2 3.28Å; L74-Y225 HydrophobicContact CG-CE2 3.93Å; V78-Y225 HydrophobicContact CG1-CD1 4.4Å; V78-Y225 HydrophobicContact CG1-CE1 3.93Å; V78-Y225 HydrophobicContact CG2-CE1 4.31Å; Y114-Y225 HydrophobicContact CE2-CE1 4.04Å; Y114-Y225 WeakPolarHBondContact OH-CE1 3.32Å; Y114-Y225 PolarHBondContact OH-OH 2.94Å; V135-Y225 HydrophobicContact CG1-CD1 3.92Å; V135-Y225 HydrophobicContact CG1-CE1 4.34Å; V135-Y225 WeakPolarHBondContact O-CD1 3.39Å; F136-Y225 WeakPolarHBondContact CD1-O 3.38Å; H221-Y225 VanDerWaalsContact CD2-CB 3.49Å; H221-Y225 WeakPolarHBondContact CD2-CB 3.26Å; H221-Y225 AromaticContact CD2-CD1 3.4Å; H221-Y225 VanDerWaalsContact CD2-CD1 3.4Å; H221-Y225 WeakPolarHBondContact CD2-CD1 3.21Å; H221-Y225 AromaticContact CD2-CD2 3.95Å; H221-Y225 AromaticContact CD2-CG 3.31Å; H221-Y225 WeakPolarHBondContact NE2-CB 3.48Å; H221-Y225 AromaticContact NE2-CD1 3.54Å; H221-Y225 AromaticContact NE2-CG 3.63Å; H221-Y225 VanDerWaalsContact O-CB 3.31Å; H221-Y225 WeakPolarHBondContact O-CB 3.32Å; H221-Y225 PolarHBondContact O-N 3.32Å
226	H	95.9	Very high	96.5	Very high	27 Å²	27	30.2 Å²	30.2	13%	0.125	15%	0.145	C	C	.	.	S	Bend	trans	-97.8	140.1	177.8	-172.5	-90.4	0	0	0	110.3	Y224 S228 N229 Y255 N256	Y224-H226 PolarHBondContact O-N 3.44Å; Y224-H226 VanDerWaalsContact O-N 3.1Å; H226-S228 VanDerWaalsContact C-N 3.26Å; H226-S228 WeakPolarHBondContact ND1-CB 3.33Å; H226-S228 PolarHBondContact ND1-N 3.44Å; H226-S228 PolarHBondContact ND1-OG 3.3Å; H226-S228 PolarHBondContact O-N 3.13Å; H226-S228 VanDerWaalsContact O-N 3.13Å; H226-N229 WeakPolarHBondContact O-CA 3.33Å; H226-N229 WeakPolarHBondContact O-CB 3.44Å; H226-N229 PolarHBondContact O-N 2.89Å; H226-Y255 AromaticContact CD2-CD1 3.58Å; H226-Y255 AromaticContact NE2-CD1 3.46Å; H226-Y255 WeakPolarHBondContact NE2-CD1 3.39Å; H226-N256 PolarHBondContact CE1-O 3.41Å; H226-N256 PolarHBondContact NE2-O 2.89Å; H226-N256 VanDerWaalsContact NE2-O 3.16Å
227	P	96.4	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60.2	-28.2	-175.6	-25.7	33.2	0	0	0	115.6	A42 F136 N229 S230 L252 Y255	A42-P227 VanDerWaalsContact CA-O 3.23Å; A42-P227 WeakPolarHBondContact CA-O 3.12Å; A42-P227 HydrophobicContact CB-CB 4.01Å; A42-P227 VanDerWaalsContact CB-O 3.31Å; A42-P227 WeakPolarHBondContact CB-O 3.49Å; F136-P227 HydrophobicContact CD1-CG 4.13Å; F136-P227 HydrophobicContact CE1-CB 4.35Å; F136-P227 HydrophobicContact CE1-CG 3.77Å; F136-P227 HydrophobicContact CZ-CG 4.39Å; P227-N229 PolarHBondContact O-N 3.05Å; P227-N229 VanDerWaalsContact O-N 3.15Å; P227-S230 WeakPolarHBondContact CA-OG 2.99Å; P227-S230 WeakPolarHBondContact O-CB 3.31Å; P227-S230 PolarHBondContact O-N 3.37Å; P227-S230 PolarHBondContact O-OG 3.48Å; P227-L252 HydrophobicContact CB-CD2 3.52Å; P227-L252 HydrophobicContact CG-CD2 3.8Å; P227-Y255 HydrophobicContact CG-CD1 4.03Å; P227-Y255 HydrophobicContact CG-CD2 3.59Å; P227-Y255 HydrophobicContact CG-CE1 4.33Å; P227-Y255 HydrophobicContact CG-CE2 3.94Å; P227-Y255 HydrophobicContact CG-CG 3.64Å
228	S	95.4	Very high	96.2	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-61	-20	173	63.9	0	0	0	0	113.6	S40 H226 S258	S40-S228 VanDerWaalsContact O-CA 3.32Å; S40-S228 WeakPolarHBondContact O-CA 3.24Å; S40-S228 WeakPolarHBondContact O-CB 3.31Å; S40-S228 PolarHBondContact O-N 3.35Å; H226-S228 VanDerWaalsContact C-N 3.26Å; H226-S228 WeakPolarHBondContact ND1-CB 3.33Å; H226-S228 PolarHBondContact ND1-N 3.44Å; H226-S228 PolarHBondContact ND1-OG 3.3Å; H226-S228 PolarHBondContact O-N 3.13Å; H226-S228 VanDerWaalsContact O-N 3.13Å; S228-S258 WeakPolarHBondContact CB-O 3.46Å; S228-S258 PolarHBondContact OG-O 3.23Å
229	N	96.1	Very high	96	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-97	5.6	176.3	-169.6	35.9	0	0	0	113.3	R61 Y224 H226 P227 N262	R61-N229 WeakPolarHBondContact CB-OD1 3.16Å; R61-N229 PolarHBondContact N-O 3.12Å; R61-N229 PolarHBondContact O-ND2 3.23Å; Y224-N229 PolarHBondContact O-ND2 3.48Å; H226-N229 WeakPolarHBondContact O-CA 3.33Å; H226-N229 WeakPolarHBondContact O-CB 3.44Å; H226-N229 PolarHBondContact O-N 2.89Å; P227-N229 PolarHBondContact O-N 3.05Å; P227-N229 VanDerWaalsContact O-N 3.15Å; N229-N262 PolarHBondContact ND2-ND2 3.34Å; N229-N262 PolarHBondContact OD1-ND2 3Å
230	S	96.6	Very high	96	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	148.7	-174.9	70.8	0	0	0	0	113.3	K43 Q59 P227 F232	K43-S230 PolarHBondContact N-O 3.07Å; K43-S230 VanDerWaalsContact N-O 3.14Å; Q59-S230 CarbonylContact O-C 3.54Å; Q59-S230 WeakPolarHBondContact O-CA 3.37Å; P227-S230 WeakPolarHBondContact CA-OG 2.99Å; P227-S230 WeakPolarHBondContact O-CB 3.31Å; P227-S230 PolarHBondContact O-N 3.37Å; P227-S230 PolarHBondContact O-OG 3.48Å; S230-F232 WeakPolarHBondContact OG-CE2 3.36Å
231	C	97.8	Very high	96	Very high	19 Å²	19	28 Å²	28	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.9	159.9	-169	0	0	0	0	109.1	K43 Q59 V423	K43-C231 HydrophobicContact CB-CB 4.28Å; K43-C231 WeakPolarHBondContact O-CA 3.19Å; Q59-C231 PolarHBondContact N-O 3.01Å; Q59-C231 PolarHBondContact O-N 3.08Å; C231-V423 HydrophobicContact CB-CG1 3.61Å; C231-V423 VanDerWaalsContact SG-CG1 3.51Å
232	F	98.6	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	148.8	169.3	-64.1	-80.2	0	0	0	110.1	A42 K43 Y44 L45 F56 S57 V58 L132 F136 S230 L247 L252	A42-F232 HydrophobicContact CB-CD2 4.18Å; A42-F232 HydrophobicContact CB-CE2 3.79Å; K43-F232 WeakPolarHBondContact O-CD2 3.46Å; K43-F232 PolarHBondContact O-N 2.85Å; Y44-F232 CarbonylContact C-O 3.55Å; Y44-F232 WeakPolarHBondContact CA-O 3.37Å; Y44-F232 HydrophobicContact CD2-CB 3.4Å; Y44-F232 HydrophobicContact CD2-CD2 4.48Å; Y44-F232 HydrophobicContact CD2-CG 4.17Å; Y44-F232 HydrophobicContact CE2-CB 3.78Å; Y44-F232 HydrophobicContact CG-CB 4.03Å; L45-F232 PolarHBondContact N-O 3.05Å; F56-F232 HydrophobicContact CE2-CD1 4.03Å; F56-F232 AromaticContact CZ-CD1 3.83Å; F56-F232 HydrophobicContact CZ-CD1 3.83Å; F56-F232 HydrophobicContact CZ-CE1 4.32Å; S57-F232 CarbonylContact O-C 3.57Å; S57-F232 WeakPolarHBondContact O-CA 3.4Å; V58-F232 HydrophobicContact CB-CD1 3.86Å; V58-F232 HydrophobicContact CB-CE1 3.84Å; V58-F232 HydrophobicContact CG2-CD1 3.88Å; V58-F232 HydrophobicContact CG2-CE1 3.54Å; V58-F232 HydrophobicContact CG2-CZ 4.1Å; L132-F232 HydrophobicContact CD2-CD1 4.45Å; L132-F232 HydrophobicContact CD2-CE1 3.62Å; L132-F232 HydrophobicContact CD2-CZ 4.42Å; F136-F232 AromaticContact CE2-CE1 3.87Å; F136-F232 HydrophobicContact CE2-CE1 3.87Å; F136-F232 AromaticContact CE2-CZ 3.61Å; F136-F232 HydrophobicContact CE2-CZ 3.61Å; F136-F232 HydrophobicContact CZ-CE1 4.18Å; F136-F232 AromaticContact CZ-CZ 3.61Å; F136-F232 HydrophobicContact CZ-CZ 3.61Å; S230-F232 WeakPolarHBondContact OG-CE2 3.36Å; F232-L247 HydrophobicContact CD1-CD1 4.31Å; F232-L247 HydrophobicContact CD1-CD2 4.03Å; F232-L247 HydrophobicContact CE1-CD2 3.61Å; F232-L247 HydrophobicContact CE2-CD2 4.49Å; F232-L247 HydrophobicContact CG-CD1 4.32Å; F232-L247 HydrophobicContact CZ-CD2 3.86Å; F232-L252 HydrophobicContact CE2-CD1 4.27Å; F232-L252 HydrophobicContact CE2-CD2 4Å; F232-L252 HydrophobicContact CZ-CD2 4.14Å
233	Y	98.6	Very high	96	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.7	177.4	171.9	-100.1	0	0	0	110.3	L45 L47 T55 F56 S57 Y235 G412 I416	L45-Y233 HydrophobicContact CB-CD2 4.3Å; L45-Y233 HydrophobicContact CD2-CD2 3.96Å; L45-Y233 HydrophobicContact CD2-CE2 4.26Å; L45-Y233 HydrophobicContact CG-CD2 4.11Å; L45-Y233 CarbonylContact O-C 3.53Å; L45-Y233 VanDerWaalsContact O-CA 3.24Å; L45-Y233 WeakPolarHBondContact O-CA 3.22Å; L47-Y233 HydrophobicContact CB-CE2 4.48Å; L47-Y233 HydrophobicContact CD1-CE2 3.66Å; L47-Y233 HydrophobicContact CG-CE2 3.77Å; T55-Y233 HydrophobicContact CG2-CD1 4.18Å; T55-Y233 HydrophobicContact CG2-CE1 3.78Å; F56-Y233 CarbonylContact C-O 3.53Å; F56-Y233 VanDerWaalsContact CA-O 3.27Å; F56-Y233 WeakPolarHBondContact CA-O 3.27Å; F56-Y233 WeakPolarHBondContact CD2-O 3.47Å; S57-Y233 PolarHBondContact N-O 2.85Å; S57-Y233 PolarHBondContact O-N 2.85Å; S57-Y233 WeakPolarHBondContact OG-CB 3.35Å; Y233-Y235 WeakPolarHBondContact OH-CB 3.31Å; Y233-G412 PolarHBondContact OH-O 3.44Å; Y233-I416 HydrophobicContact CD1-CB 3.8Å; Y233-I416 HydrophobicContact CD1-CD1 4.22Å; Y233-I416 HydrophobicContact CD1-CG1 3.85Å; Y233-I416 HydrophobicContact CD1-CG2 4.18Å; Y233-I416 HydrophobicContact CD2-CB 4.39Å; Y233-I416 HydrophobicContact CD2-CD1 3.76Å; Y233-I416 HydrophobicContact CD2-CG1 4.28Å; Y233-I416 HydrophobicContact CE1-CB 3.59Å; Y233-I416 HydrophobicContact CE1-CG1 4.19Å; Y233-I416 HydrophobicContact CE1-CG2 3.9Å; Y233-I416 HydrophobicContact CE2-CB 4.18Å; Y233-I416 HydrophobicContact CE2-CD1 4.22Å; Y233-I416 HydrophobicContact CG-CB 4.17Å; Y233-I416 HydrophobicContact CG-CD1 3.72Å; Y233-I416 HydrophobicContact CG-CG1 3.87Å
234	T	98.6	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.7	162.1	49.9	0	0	0	0	112.3	Y44 L45 H46 L47 T55 F56 F124 V238	Y44-T234 WeakPolarHBondContact CE1-OG1 3.38Å; Y44-T234 WeakPolarHBondContact OH-CB 3.36Å; Y44-T234 WeakPolarHBondContact OH-CG2 3.37Å; Y44-T234 PolarHBondContact OH-OG1 3.25Å; L45-T234 PolarHBondContact O-N 3.49Å; H46-T234 CarbonylContact C-O 3.55Å; H46-T234 WeakPolarHBondContact CA-O 3.47Å; H46-T234 PolarHBondContact ND1-O 3.37Å; H46-T234 PolarHBondContact ND1-OG1 3.35Å; L47-T234 PolarHBondContact N-O 3.14Å; T55-T234 CarbonylContact O-C 3.2Å; T55-T234 VanDerWaalsContact O-CA 3.24Å; T55-T234 WeakPolarHBondContact O-CA 3.36Å; F56-T234 HydrophobicContact CB-CG2 4.39Å; F56-T234 HydrophobicContact CD2-CG2 3.78Å; F124-T234 HydrophobicContact CZ-CG2 4.19Å; T234-V238 HydrophobicContact CG2-CG1 4.11Å
235	Y	98.2	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.7	177.7	162.2	-81.7	0	0	0	112.3	L47 R49 D51 K54 T55 Y233 V238 F411 G412 L415	L47-Y235 HydrophobicContact CB-CD2 4.02Å; L47-Y235 WeakPolarHBondContact O-CA 3.45Å; R49-Y235 HydrophobicContact CB-CE2 3.98Å; R49-Y235 WeakPolarHBondContact CD-OH 3.46Å; D51-Y235 HydrophobicContact CB-CE1 3.89Å; D51-Y235 WeakPolarHBondContact CB-OH 3.41Å; D51-Y235 VanDerWaalsContact OD2-CE1 3.31Å; D51-Y235 WeakPolarHBondContact OD2-CE1 3.49Å; D51-Y235 PolarHBondContact OD2-OH 2.97Å; K54-Y235 WeakPolarHBondContact CA-O 3.22Å; T55-Y235 PolarHBondContact N-O 2.82Å; T55-Y235 VanDerWaalsContact N-O 3.12Å; T55-Y235 PolarHBondContact O-N 3.01Å; Y233-Y235 WeakPolarHBondContact OH-CB 3.31Å; Y235-V238 WeakPolarHBondContact O-CG2 3.35Å; Y235-F411 AromaticContact CE2-CD1 3.59Å; Y235-F411 HydrophobicContact CE2-CD1 3.59Å; Y235-F411 AromaticContact CE2-CE1 3.99Å; Y235-F411 HydrophobicContact CE2-CE1 3.99Å; Y235-F411 AromaticContact CZ-CD1 3.62Å; Y235-F411 WeakPolarHBondContact OH-CD1 3.3Å; Y235-G412 VanDerWaalsContact CE1-CA 3.43Å; Y235-L415 HydrophobicContact CD2-CD1 4.33Å; Y235-L415 HydrophobicContact CE2-CD1 4.28Å
236	G	96.9	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	87.4	-150.6	170.8	0	0	0	0	0	111.9	L47 R49 V238	L47-G236 PolarHBondContact O-N 2.74Å; L47-G236 VanDerWaalsContact O-N 3.15Å; R49-G236 CarbonylContact O-C 3.59Å; R49-G236 VanDerWaalsContact O-CA 3.31Å; R49-G236 WeakPolarHBondContact O-CA 3.47Å; G236-V238 PolarHBondContact O-N 2.82Å
237	N	95	Very high	96.5	Very high	39 Å²	39	24.4 Å²	24.4	21%	0.209	12%	0.123	C	C	.	.	S	Bend	trans	-76.2	43.8	-176	-75.4	-24	0	0	0	114	M1 R49 D50 D51	M1-N237 HydrophobicContact CE-CB 3.75Å; M1-N237 WeakPolarHBondContact CE-OD1 3.22Å; R49-N237 PolarHBondContact O-OD1 2.97Å; R49-N237 VanDerWaalsContact O-OD1 3.14Å; D50-N237 WeakPolarHBondContact CA-OD1 3.42Å; D50-N237 PolarHBondContact OD1-ND2 3.3Å; D50-N237 PolarHBondContact OD1-OD1 3.45Å; D51-N237 PolarHBondContact N-ND2 3.4Å; D51-N237 WeakPolarHBondContact O-CB 3.27Å; D51-N237 PolarHBondContact O-N 2.8Å
238	V	94.9	Very high	96.5	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	13%	0.13	C	C	.	.			trans	-81.6	137.8	179.7	175.2	0	0	0	0	110.8	K54 F124 T234 Y235 G236 L240 C243	K54-V238 HydrophobicContact CB-CG2 3.63Å; K54-V238 HydrophobicContact CD-CG2 3.92Å; K54-V238 HydrophobicContact CG-CG2 3.61Å; F124-V238 HydrophobicContact CD2-CG2 4.48Å; F124-V238 HydrophobicContact CE1-CG1 4.04Å; F124-V238 HydrophobicContact CE2-CG2 3.73Å; F124-V238 HydrophobicContact CZ-CB 4.47Å; F124-V238 HydrophobicContact CZ-CG1 3.78Å; F124-V238 HydrophobicContact CZ-CG2 3.77Å; T234-V238 HydrophobicContact CG2-CG1 4.11Å; Y235-V238 WeakPolarHBondContact O-CG2 3.35Å; G236-V238 PolarHBondContact O-N 2.82Å; V238-L240 PolarHBondContact O-N 3.11Å; V238-C243 WeakPolarHBondContact CG1-SG 3.12Å
239	N	94	Very high	96.6	Very high	78 Å²	78	26.7 Å²	26.7	42%	0.417	14%	0.137	S	C	.	.			trans	-74.4	93.2	165.2	-173.9	-6.6	0	0	0	110	E241 Q242 C243	N239-E241 PolarHBondContact O-N 2.93Å; N239-E241 PolarHBondContact OD1-N 2.8Å; N239-Q242 HydrophobicContact CB-CB 4.05Å; N239-Q242 PolarHBondContact ND2-OE1 2.95Å; N239-Q242 PolarHBondContact O-N 2.92Å; N239-Q242 PolarHBondContact OD1-N 2.67Å; N239-C243 PolarHBondContact O-N 2.94Å; N239-C243 PolarHBondContact O-SG 2.61Å
240	L	94.6	Very high	96.6	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-56.3	-47.8	-178.1	178.7	61.7	0	0	0	112.3	L8 Y44 H46 V238 Q242 C243 L244	L8-L240 HydrophobicContact CD1-CD2 4.3Å; Y44-L240 HydrophobicContact CD1-CD1 4.38Å; Y44-L240 HydrophobicContact CE1-CD1 3.55Å; H46-L240 HydrophobicContact CB-CD1 4.01Å; H46-L240 HydrophobicContact CB-CD2 4.27Å; V238-L240 PolarHBondContact O-N 3.11Å; L240-Q242 VanDerWaalsContact C-N 3.34Å; L240-Q242 PolarHBondContact O-N 2.98Å; L240-C243 WeakPolarHBondContact O-CB 3.44Å; L240-C243 PolarHBondContact O-N 3.38Å; L240-L244 HydrophobicContact CD1-CD1 4.07Å; L240-L244 HydrophobicContact CD1-CD2 4.05Å; L240-L244 HydrophobicContact CD1-CG 3.89Å; L240-L244 HydrophobicContact CD2-CD1 4.47Å; L240-L244 HydrophobicContact CG-CD1 3.94Å; L240-L244 HydrophobicContact CG-CG 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.36Å
241	E	94.1	Very high	96.6	Very high	103 Å²	103	28.9 Å²	28.9	48%	0.481	15%	0.146	S	C	.	.	H	α-helix	trans	-57.8	-46.3	-177	-177.5	167.9	-154.2	0	0	111.7	L14 H15 N239 C243 L244 E245	L14-E241 HydrophobicContact CD1-CG 4.13Å; H15-E241 WeakPolarHBondContact NE2-CG 3.41Å; N239-E241 PolarHBondContact O-N 2.93Å; N239-E241 PolarHBondContact OD1-N 2.8Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3.12Å; E241-L244 PolarHBondContact O-N 3.14Å; E241-E245 WeakPolarHBondContact O-CB 3.4Å; E241-E245 PolarHBondContact O-N 3.37Å
242	Q	94.2	Very high	96.5	Very high	78 Å²	78	28 Å²	28	36%	0.364	14%	0.14	S	C	.	.	H	α-helix	trans	-61.5	-38.1	175.7	-178.4	178.7	6.7	0	0	112.7	Q125 N239 L240 Y246	Q125-Q242 VanDerWaalsContact CD-NE2 3.33Å; N239-Q242 HydrophobicContact CB-CB 4.05Å; N239-Q242 PolarHBondContact ND2-OE1 2.95Å; N239-Q242 PolarHBondContact O-N 2.92Å; N239-Q242 PolarHBondContact OD1-N 2.67Å; L240-Q242 VanDerWaalsContact C-N 3.34Å; L240-Q242 PolarHBondContact O-N 2.98Å; Q242-Y246 WeakPolarHBondContact O-CB 3.29Å; Q242-Y246 PolarHBondContact O-N 2.93Å
243	C	96.4	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-44.4	177	-63.8	0	0	0	0	111.6	V238 N239 L240 E241 Y246 L247	V238-C243 WeakPolarHBondContact CG1-SG 3.12Å; N239-C243 PolarHBondContact O-N 2.94Å; N239-C243 PolarHBondContact O-SG 2.61Å; L240-C243 WeakPolarHBondContact O-CB 3.44Å; L240-C243 PolarHBondContact O-N 3.38Å; E241-C243 VanDerWaalsContact C-N 3.32Å; E241-C243 PolarHBondContact O-N 3.12Å; C243-Y246 PolarHBondContact O-N 3.36Å; C243-L247 WeakPolarHBondContact O-CB 3.2Å; C243-L247 VanDerWaalsContact O-CG 3.32Å; C243-L247 WeakPolarHBondContact O-CG 3.39Å; C243-L247 PolarHBondContact O-N 3Å
244	L	97.2	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-43.4	178.5	-61.9	-177.7	0	0	0	111.1	L14 H15 F17 L35 Y44 L240 E241 Y246 L247 D248	L14-L244 HydrophobicContact CD2-CD1 3.64Å; L14-L244 HydrophobicContact CG-CD1 4.07Å; H15-L244 HydrophobicContact CB-CB 4.26Å; F17-L244 HydrophobicContact CB-CD1 4.43Å; F17-L244 HydrophobicContact CD1-CD2 4.2Å; F17-L244 HydrophobicContact CD2-CB 3.9Å; F17-L244 HydrophobicContact CD2-CD1 4.39Å; F17-L244 HydrophobicContact CD2-CD2 3.73Å; F17-L244 HydrophobicContact CD2-CG 4.19Å; F17-L244 HydrophobicContact CE1-CD2 4.16Å; F17-L244 HydrophobicContact CE2-CB 4.05Å; F17-L244 HydrophobicContact CE2-CD2 3.72Å; F17-L244 HydrophobicContact CE2-CG 4.42Å; F17-L244 HydrophobicContact CG-CD2 3.97Å; F17-L244 HydrophobicContact CZ-CD2 3.9Å; L35-L244 HydrophobicContact CD2-CD1 3.92Å; Y44-L244 HydrophobicContact CD1-CD2 4.38Å; Y44-L244 HydrophobicContact CD2-CD2 3.68Å; Y44-L244 HydrophobicContact CE1-CD2 4.34Å; Y44-L244 HydrophobicContact CE2-CD2 3.63Å; Y44-L244 HydrophobicContact CG-CD2 4.07Å; L240-L244 HydrophobicContact CD1-CD1 4.07Å; L240-L244 HydrophobicContact CD1-CD2 4.05Å; L240-L244 HydrophobicContact CD1-CG 3.89Å; L240-L244 HydrophobicContact CD2-CD1 4.47Å; L240-L244 HydrophobicContact CG-CD1 3.94Å; L240-L244 HydrophobicContact CG-CG 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.36Å; E241-L244 PolarHBondContact O-N 3.14Å; L244-Y246 PolarHBondContact O-N 3.43Å; L244-L247 PolarHBondContact O-N 3.11Å; L244-D248 VanDerWaalsContact O-CB 3.32Å; L244-D248 WeakPolarHBondContact O-CB 3.34Å; L244-D248 PolarHBondContact O-N 3.49Å
245	E	97.1	Very high	96.1	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	19%	0.192	S	C	.	.	H	α-helix	trans	-58.4	-47.2	175.1	-174.2	174.9	-155.1	0	0	112.2	H15 E241 S249	H15-E245 HydrophobicContact CB-CB 4.46Å; H15-E245 IonicContact CE1-OE1 3.03Å; H15-E245 VanDerWaalsContact CG-CA 3.45Å; E241-E245 WeakPolarHBondContact O-CB 3.4Å; E241-E245 PolarHBondContact O-N 3.37Å; E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.42Å; E245-S249 PolarHBondContact O-N 2.8Å; E245-S249 PolarHBondContact O-OG 3.5Å
246	Y	97.4	Very high	96	Very high	29 Å²	29	44.9 Å²	44.9	11%	0.114	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-45.2	-179.7	-173.7	-101.4	0	0	0	111.5	L128 K129 L132 Q242 C243 L244 E250 Y251	L128-Y246 HydrophobicContact CD2-CD1 4.06Å; L128-Y246 HydrophobicContact CG-CD1 4.27Å; K129-Y246 HydrophobicContact CG-CE1 3.9Å; K129-Y246 HydrophobicContact CG-CE2 4.07Å; L132-Y246 HydrophobicContact CD1-CD1 3.84Å; L132-Y246 HydrophobicContact CD1-CE1 3.75Å; Q242-Y246 WeakPolarHBondContact O-CB 3.29Å; Q242-Y246 PolarHBondContact O-N 2.93Å; C243-Y246 PolarHBondContact O-N 3.36Å; L244-Y246 PolarHBondContact O-N 3.43Å; Y246-E250 HydrophobicContact CD2-CG 3.86Å; Y246-E250 HydrophobicContact CE1-CG 4.46Å; Y246-E250 HydrophobicContact CE2-CB 4.43Å; Y246-E250 HydrophobicContact CE2-CG 3.47Å; Y246-E250 VanDerWaalsContact CE2-CG 3.47Å; Y246-E250 HydrophobicContact CG-CG 4.46Å; Y246-E250 VanDerWaalsContact O-CB 3.31Å; Y246-E250 WeakPolarHBondContact O-CB 3.28Å; Y246-E250 WeakPolarHBondContact O-CG 3.13Å; Y246-E250 PolarHBondContact O-N 3.14Å; Y246-E250 VanDerWaalsContact O-N 3.08Å; Y246-E250 PolarHBondContact OH-OE2 2.95Å; Y246-Y251 AromaticContact CE1-CE2 3.85Å; Y246-Y251 HydrophobicContact CE1-CE2 3.85Å
247	L	97.8	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-48.8	177.3	-79.7	167	0	0	0	112	F17 Y44 L132 F232 C243 L244 Y251 L252	F17-L247 HydrophobicContact CE2-CB 4.41Å; F17-L247 HydrophobicContact CZ-CB 4.39Å; F17-L247 HydrophobicContact CZ-CD1 4.41Å; Y44-L247 HydrophobicContact CD2-CD1 3.99Å; Y44-L247 HydrophobicContact CE2-CD1 3.53Å; L132-L247 HydrophobicContact CD1-CD2 3.55Å; L132-L247 HydrophobicContact CD1-CG 4.3Å; L132-L247 HydrophobicContact CD2-CD2 3.53Å; L132-L247 HydrophobicContact CG-CD2 4.21Å; F232-L247 HydrophobicContact CD1-CD1 4.31Å; F232-L247 HydrophobicContact CD1-CD2 4.03Å; F232-L247 HydrophobicContact CE1-CD2 3.61Å; F232-L247 HydrophobicContact CE2-CD2 4.49Å; F232-L247 HydrophobicContact CG-CD1 4.32Å; F232-L247 HydrophobicContact CZ-CD2 3.86Å; C243-L247 WeakPolarHBondContact O-CB 3.2Å; C243-L247 VanDerWaalsContact O-CG 3.32Å; C243-L247 WeakPolarHBondContact O-CG 3.39Å; C243-L247 PolarHBondContact O-N 3Å; L244-L247 PolarHBondContact O-N 3.11Å; L247-Y251 CarbonylContact O-C 3.52Å; L247-Y251 PolarHBondContact O-N 3.28Å; L247-Y251 VanDerWaalsContact O-N 3.11Å; L247-L252 HydrophobicContact CB-CD1 3.94Å; L247-L252 HydrophobicContact CB-CG 4.27Å; L247-L252 WeakPolarHBondContact O-CG 3.31Å; L247-L252 PolarHBondContact O-N 2.72Å
248	D	97.8	Very high	95.8	Very high	27 Å²	27	50.4 Å²	50.4	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-57.3	179.8	-176.1	38.1	0	0	0	111.2	H15 H37 L244 E250 L252 Q253	H15-D248 HydrophobicContact CB-CB 4.02Å; H15-D248 WeakPolarHBondContact O-CB 3.44Å; H37-D248 IonicContact CD2-OD1 3.24Å; H37-D248 IonicContact CE1-OD1 2.66Å; H37-D248 IonicContact NE2-OD1 3.3Å; H37-D248 PolarHBondContact NE2-OD1 2.88Å; L244-D248 VanDerWaalsContact O-CB 3.32Å; L244-D248 WeakPolarHBondContact O-CB 3.34Å; L244-D248 PolarHBondContact O-N 3.49Å; D248-E250 PolarHBondContact O-N 3.47Å; D248-L252 PolarHBondContact O-N 3.08Å; D248-Q253 VanDerWaalsContact O-CB 3.26Å; D248-Q253 WeakPolarHBondContact O-CB 3.39Å; D248-Q253 WeakPolarHBondContact O-CG 3.27Å; D248-Q253 PolarHBondContact O-N 3.45Å
249	S	96.7	Very high	95.1	Very high	45 Å²	45	57.2 Å²	57.2	32%	0.315	28%	0.283	S	S	.	.	H	α-helix	trans	-67	-34.6	-171.2	62.1	0	0	0	0	113.4	E245 Q253 H254	E245-S249 VanDerWaalsContact O-CB 3.27Å; E245-S249 WeakPolarHBondContact O-CB 3.42Å; E245-S249 PolarHBondContact O-N 2.8Å; E245-S249 PolarHBondContact O-OG 3.5Å; S249-Q253 PolarHBondContact O-NE2 3.17Å; S249-H254 PolarHBondContact O-NE2 3.46Å
250	E	95.8	Very high	94.5	Very high	67 Å²	67	56.4 Å²	56.4	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-94.4	-28.4	-175.6	-63.1	-83.8	121	0	0	113.3	K84 R137 Y246 D248 H254	K84-E250 IonicContact NZ-OE2 2.71Å; R137-E250 PolarHBondContact NH1-O 3.03Å; R137-E250 PolarHBondContact NH2-O 2.76Å; Y246-E250 HydrophobicContact CD2-CG 3.86Å; Y246-E250 HydrophobicContact CE1-CG 4.46Å; Y246-E250 HydrophobicContact CE2-CB 4.43Å; Y246-E250 HydrophobicContact CE2-CG 3.47Å; Y246-E250 VanDerWaalsContact CE2-CG 3.47Å; Y246-E250 HydrophobicContact CG-CG 4.46Å; Y246-E250 VanDerWaalsContact O-CB 3.31Å; Y246-E250 WeakPolarHBondContact O-CB 3.28Å; Y246-E250 WeakPolarHBondContact O-CG 3.13Å; Y246-E250 PolarHBondContact O-N 3.14Å; Y246-E250 VanDerWaalsContact O-N 3.08Å; Y246-E250 PolarHBondContact OH-OE2 2.95Å; D248-E250 PolarHBondContact O-N 3.47Å; E250-H254 PolarHBondContact O-CD2 2.87Å
251	Y	95.9	Very high	93.7	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-67.5	-171.4	-56.5	-84.5	0	0	0	112.2	L132 D133 F136 R137 Y246 L247 Q253 H254 Y255	L132-Y251 HydrophobicContact CB-CD2 4.26Å; L132-Y251 HydrophobicContact CB-CE1 4.4Å; L132-Y251 HydrophobicContact CB-CE2 3.63Å; L132-Y251 HydrophobicContact CD1-CD2 4.25Å; L132-Y251 HydrophobicContact CD1-CE2 3.97Å; L132-Y251 HydrophobicContact CG-CE2 4.41Å; D133-Y251 WeakPolarHBondContact CB-OH 3.43Å; D133-Y251 PolarHBondContact N-OH 3.24Å; F136-Y251 HydrophobicContact CB-CD1 4.02Å; F136-Y251 HydrophobicContact CB-CE1 4.44Å; F136-Y251 HydrophobicContact CD2-CD1 4.47Å; R137-Y251 HydrophobicContact CG-CE1 4.48Å; Y246-Y251 AromaticContact CE1-CE2 3.85Å; Y246-Y251 HydrophobicContact CE1-CE2 3.85Å; L247-Y251 CarbonylContact O-C 3.52Å; L247-Y251 PolarHBondContact O-N 3.28Å; L247-Y251 VanDerWaalsContact O-N 3.11Å; Y251-Q253 PolarHBondContact O-N 3.04Å; Y251-H254 WeakPolarHBondContact O-CB 3.28Å; Y251-H254 PolarHBondContact O-N 2.83Å; Y251-Y255 WeakPolarHBondContact O-CD2 3.21Å
252	L	97.1	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-67.7	-31.5	-160.8	-54.8	-177.8	0	0	0	113.6	F17 H37 A42 P227 F232 L247 D248 H254 Y255	F17-L252 HydrophobicContact CE1-CD1 4.07Å; F17-L252 HydrophobicContact CE2-CD1 3.9Å; F17-L252 HydrophobicContact CZ-CD1 3.26Å; H37-L252 HydrophobicContact CB-CD1 4.1Å; H37-L252 PolarHBondContact CE1-O 2.69Å; A42-L252 HydrophobicContact CB-CD1 4.23Å; A42-L252 HydrophobicContact CB-CD2 4.17Å; P227-L252 HydrophobicContact CB-CD2 3.52Å; P227-L252 HydrophobicContact CG-CD2 3.8Å; F232-L252 HydrophobicContact CE2-CD1 4.27Å; F232-L252 HydrophobicContact CE2-CD2 4Å; F232-L252 HydrophobicContact CZ-CD2 4.14Å; L247-L252 HydrophobicContact CB-CD1 3.94Å; L247-L252 HydrophobicContact CB-CG 4.27Å; L247-L252 WeakPolarHBondContact O-CG 3.31Å; L247-L252 PolarHBondContact O-N 2.72Å; D248-L252 PolarHBondContact O-N 3.08Å; L252-H254 PolarHBondContact O-N 2.93Å; L252-Y255 PolarHBondContact O-N 2.98Å
253	Q	96.2	Very high	93	Very high	82 Å²	82	57.8 Å²	57.8	38%	0.383	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64.1	-18.4	174.9	77.1	174.8	-36.1	0	0	113	K39 D248 S249 Y251	K39-Q253 WeakPolarHBondContact CD-O 3.45Å; K39-Q253 WeakPolarHBondContact CE-O 3.44Å; K39-Q253 PolarHBondContact NZ-O 3.26Å; D248-Q253 VanDerWaalsContact O-CB 3.26Å; D248-Q253 WeakPolarHBondContact O-CB 3.39Å; D248-Q253 WeakPolarHBondContact O-CG 3.27Å; D248-Q253 PolarHBondContact O-N 3.45Å; S249-Q253 PolarHBondContact O-NE2 3.17Å; Y251-Q253 PolarHBondContact O-N 3.04Å
254	H	95.5	Very high	92.9	Very high	111 Å²	111	58 Å²	58	51%	0.514	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-89.9	-7.5	-179.1	-55.4	-63.3	0	0	0	113.4	S249 E250 Y251 L252	S249-H254 PolarHBondContact O-NE2 3.46Å; E250-H254 PolarHBondContact O-CD2 2.87Å; Y251-H254 WeakPolarHBondContact O-CB 3.28Å; Y251-H254 PolarHBondContact O-N 2.83Å; L252-H254 PolarHBondContact O-N 2.93Å
255	Y	95.6	Very high	92.7	Very high	51 Å²	51	60.5 Å²	60.5	20%	0.2	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-103.9	145.1	177	-66.7	-91.1	0	0	0	111	K39 F136 H226 P227 Y251 L252	K39-Y255 WeakPolarHBondContact CD-O 3.41Å; K39-Y255 WeakPolarHBondContact CE-O 3.32Å; K39-Y255 WeakPolarHBondContact CG-O 3.3Å; F136-Y255 PolarHBondContact O-OH 3.14Å; H226-Y255 AromaticContact CD2-CD1 3.58Å; H226-Y255 AromaticContact NE2-CD1 3.46Å; H226-Y255 WeakPolarHBondContact NE2-CD1 3.39Å; P227-Y255 HydrophobicContact CG-CD1 4.03Å; P227-Y255 HydrophobicContact CG-CD2 3.59Å; P227-Y255 HydrophobicContact CG-CE1 4.33Å; P227-Y255 HydrophobicContact CG-CE2 3.94Å; P227-Y255 HydrophobicContact CG-CG 3.64Å; Y251-Y255 WeakPolarHBondContact O-CD2 3.21Å; L252-Y255 PolarHBondContact O-N 2.98Å
256	N	96	Very high	92.6	Very high	111 Å²	111	58.7 Å²	58.7	59%	0.594	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-102.7	148.1	164.1	-64.7	-51.5	0	0	0	108	K39 H226 S258	K39-N256 WeakPolarHBondContact CE-OD1 3.16Å; K39-N256 CarbonylContact O-C 3.57Å; H226-N256 PolarHBondContact CE1-O 3.41Å; H226-N256 PolarHBondContact NE2-O 2.89Å; H226-N256 VanDerWaalsContact NE2-O 3.16Å; N256-S258 PolarHBondContact O-N 2.88Å
257	F	95.5	Very high	92.5	Very high	118 Å²	118	57.8 Å²	57.8	52%	0.518	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-48.6	128.3	173.1	179.9	-99	0	0	0	111.5	K39 L259	K39-F257 PolarHBondContact O-N 3.36Å; F257-L259 HydrophobicContact CE1-CB 3.96Å; F257-L259 HydrophobicContact CE1-CD1 4.3Å; F257-L259 HydrophobicContact CZ-CB 4.44Å; F257-L259 HydrophobicContact CZ-CD1 4.11Å
258	S	91.4	Very high	92.3	Very high	37 Å²	37	61.5 Å²	61.5	26%	0.259	33%	0.329	S	S	.	.			trans	-118.2	129.9	169.6	-170.5	0	0	0	0	109.1	S228 N256 E260	S228-S258 WeakPolarHBondContact CB-O 3.46Å; S228-S258 PolarHBondContact OG-O 3.23Å; N256-S258 PolarHBondContact O-N 2.88Å; S258-E260 PolarHBondContact O-N 2.88Å; S258-E260 PolarHBondContact OG-OE1 3.34Å; S258-E260 VanDerWaalsContact OG-OE1 3.12Å
259	L	81.2	Confident	92.2	Very high	149 Å²	149	65.3 Å²	65.3	78%	0.78	35%	0.347	S	S	*	.			trans	-90.1	88	172.7	-172.7	72.8	0	0	0	108.6	F257	F257-L259 HydrophobicContact CE1-CB 3.96Å; F257-L259 HydrophobicContact CE1-CD1 4.3Å; F257-L259 HydrophobicContact CZ-CB 4.44Å; F257-L259 HydrophobicContact CZ-CD1 4.11Å
260	E	80.8	Confident	92.2	Very high	60 Å²	60	64 Å²	64	28%	0.28	34%	0.335	S	S	.	.			trans	-84.4	130.6	170.1	-66.9	-58.1	142	0	0	109.9	K223 S258 N262	K223-E260 WeakPolarHBondContact CE-OE2 3.27Å; S258-E260 PolarHBondContact O-N 2.88Å; S258-E260 PolarHBondContact OG-OE1 3.34Å; S258-E260 VanDerWaalsContact OG-OE1 3.12Å; E260-N262 PolarHBondContact O-N 3.1Å
261	N	78.8	Confident	92.2	Very high	137 Å²	137	67.9 Å²	67.9	73%	0.733	36%	0.358	S	S	*	.			trans	-77.8	91.9	173	-174.9	13.3	0	0	0	109.6
262	N	86	Confident	92.2	Very high	15 Å²	15	75.1 Å²	75.1	8%	0.08	39%	0.389	C	S	.	.			trans	-131.2	29.6	176.6	74.1	-11.5	0	0	0	112.3	R61 V63 Y224 N229 E260	R61-N262 WeakPolarHBondContact CD-O 3.42Å; R61-N262 PolarHBondContact NH1-OD1 3.31Å; V63-N262 WeakPolarHBondContact CG2-O 3.3Å; Y224-N262 HydrophobicContact CD1-CB 4.41Å; Y224-N262 HydrophobicContact CE1-CB 4.12Å; N229-N262 PolarHBondContact ND2-ND2 3.34Å; N229-N262 PolarHBondContact OD1-ND2 3Å; E260-N262 PolarHBondContact O-N 3.1Å
263	S	86.5	Confident	92.2	Very high	73 Å²	73	78 Å²	78	51%	0.51	41%	0.408	S	S	.	.			trans	-66.2	134.7	175.2	61	0	0	0	0	110.5	P265	S263-P265 VanDerWaalsContact O-CD 3.32Å; S263-P265 WeakPolarHBondContact O-CD 3.31Å
264	V	94.3	Very high	92.3	Very high	4 Å²	4	79.7 Å²	79.7	2%	0.024	41%	0.411	C	S	.	.			trans	-80.7	112.1	170.3	176.9	0	0	0	0	108.1	V63 D110 T197 Y198 R353	V63-V264 HydrophobicContact CB-CG2 4.47Å; V63-V264 HydrophobicContact CG1-CG2 4.19Å; V63-V264 HydrophobicContact CG2-CG2 3.47Å; V63-V264 VanDerWaalsContact CG2-CG2 3.47Å; D110-V264 HydrophobicContact CB-CG2 4.07Å; T197-V264 HydrophobicContact CG2-CG1 4.09Å; Y198-V264 HydrophobicContact CE2-CG1 4.46Å; Y198-V264 WeakPolarHBondContact OH-CG1 3.28Å; V264-R353 HydrophobicContact CG1-CB 3.77Å; V264-R353 WeakPolarHBondContact O-CD 3.49Å; V264-R353 PolarHBondContact O-NH1 3.49Å
265	P	93.4	Very high	92.4	Very high	54 Å²	54	79.1 Å²	79.1	35%	0.351	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-64.9	157	176.4	28.2	-35.8	0	0	0	112	Q196 T197 S263	Q196-P265 HydrophobicContact CB-CG 4.49Å; T197-P265 WeakPolarHBondContact OG1-CD 3.34Å; S263-P265 VanDerWaalsContact O-CD 3.32Å; S263-P265 WeakPolarHBondContact O-CD 3.31Å
266	L	94.7	Very high	92.6	Very high	62 Å²	62	78 Å²	78	33%	0.325	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-76.1	140.1	169.7	-170.6	74.5	0	0	0	109.4	C268 D303 T354	L266-C268 PolarHBondContact O-N 3.04Å; L266-D303 HydrophobicContact CD1-CB 3.75Å; L266-T354 HydrophobicContact CD1-CG2 4.19Å; L266-T354 VanDerWaalsContact CD1-OG1 3.29Å; L266-T354 WeakPolarHBondContact CD1-OG1 3.29Å
267	E	95.6	Very high	92.7	Very high	10 Å²	10	78.5 Å²	78.5	5%	0.047	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-66.2	135.1	178.3	-171.8	64.3	-131.9	0	0	111	F194 Q196 R300 T354	F194-E267 VanDerWaalsContact CA-OE2 3.25Å; F194-E267 WeakPolarHBondContact CA-OE2 3.31Å; F194-E267 HydrophobicContact CB-CG 4.46Å; F194-E267 HydrophobicContact CD1-CB 3.99Å; F194-E267 HydrophobicContact CD1-CG 3.93Å; Q196-E267 WeakPolarHBondContact CB-OE2 3.4Å; Q196-E267 WeakPolarHBondContact CG-OE1 3.29Å; Q196-E267 PolarHBondContact N-OE2 3.36Å; Q196-E267 VanDerWaalsContact N-OE2 3.08Å; Q196-E267 PolarHBondContact NE2-OE1 3.18Å; E267-R300 PolarHBondContact O-NE 3.26Å; E267-R300 PolarHBondContact O-NH2 2.78Å; E267-T354 HydrophobicContact CB-CG2 4.19Å; E267-T354 PolarHBondContact N-OG1 2.99Å
268	C	94.3	Very high	92.7	Very high	78 Å²	78	74.4 Å²	74.4	53%	0.527	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-74.7	136.3	-179.5	-72.5	0	0	0	0	110.3	Q196 L266 H466	Q196-C268 VanDerWaalsContact NE2-CB 3.27Å; Q196-C268 PolarHBondContact NE2-SG 2.83Å; L266-C268 PolarHBondContact O-N 3.04Å; C268-H466 PolarHBondContact O-CE1 3.34Å; C268-H466 PolarHBondContact O-ND1 3.02Å
269	M	94.3	Very high	93	Very high	107 Å²	107	75.8 Å²	75.8	53%	0.527	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.4	140.3	177.1	-74.4	-67.5	-83.9	0	0	111.8	R300 H466	M269-R300 PolarHBondContact SD-NH1 3.34Å; M269-H466 HydrophobicContact CE-CB 4.43Å; M269-H466 HydrophobicContact SD-CB 4.07Å
270	W	96.7	Very high	93.6	Very high	16 Å²	16	69.1 Å²	69.1	6%	0.061	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-88.1	150.6	170.9	-58.9	-9.3	0	0	0	112.3	N192 L193 R274 H466 L468	N192-W270 WeakPolarHBondContact O-CH2 3.41Å; N192-W270 WeakPolarHBondContact O-CZ2 3.48Å; L193-W270 HydrophobicContact CD1-CH2 4.2Å; L193-W270 WeakPolarHBondContact O-CZ2 3.41Å; W270-R274 HydrophobicContact CD2-CG 4.36Å; W270-R274 HydrophobicContact CE3-CB 4.31Å; W270-R274 HydrophobicContact CE3-CG 3.7Å; W270-R274 HydrophobicContact CH2-CB 4.43Å; W270-R274 HydrophobicContact CH2-CG 4.33Å; W270-R274 HydrophobicContact CZ3-CB 3.82Å; W270-R274 HydrophobicContact CZ3-CG 3.69Å; W270-H466 HydrophobicContact CB-CB 4.25Å; W270-H466 AromaticContact CD1-CE1 3.31Å; W270-H466 AromaticContact CD1-ND1 3.43Å; W270-H466 AromaticContact CD1-NE2 3.95Å; W270-H466 AromaticContact CD2-CD2 3.55Å; W270-H466 AromaticContact CD2-CE1 3.67Å; W270-H466 AromaticContact CD2-CG 3.72Å; W270-H466 AromaticContact CD2-ND1 3.8Å; W270-H466 AromaticContact CD2-NE2 3.53Å; W270-H466 AromaticContact CE2-CD2 3.67Å; W270-H466 AromaticContact CE2-CE1 3.33Å; W270-H466 AromaticContact CE2-ND1 3.94Å; W270-H466 AromaticContact CE2-NE2 3.14Å; W270-H466 AromaticContact CE3-CD2 3.66Å; W270-H466 HydrophobicContact CG-CB 4.43Å; W270-H466 AromaticContact CG-CE1 3.68Å; W270-H466 AromaticContact CG-CG 3.77Å; W270-H466 AromaticContact CG-ND1 3.5Å; W270-H466 AromaticContact CH2-NE2 3.84Å; W270-H466 AromaticContact CZ2-CD2 3.91Å; W270-H466 AromaticContact CZ2-CE1 3.94Å; W270-H466 AromaticContact CZ2-NE2 3.32Å; W270-H466 VanDerWaalsContact CZ2-NE2 3.32Å; W270-H466 WeakPolarHBondContact CZ2-NE2 3.06Å; W270-H466 AromaticContact CZ3-CD2 3.89Å; W270-H466 PolarHBondContact N-ND1 2.89Å; W270-H466 VanDerWaalsContact N-ND1 3.19Å; W270-H466 AromaticContact NE1-CE1 3.09Å; W270-H466 PolarHBondContact NE1-CE1 2.89Å; W270-H466 AromaticContact NE1-ND1 3.72Å; W270-H466 AromaticContact NE1-NE2 3.44Å; W270-H466 PolarHBondContact NE1-NE2 3.13Å; W270-L468 HydrophobicContact CH2-CB 4.29Å; W270-L468 HydrophobicContact CH2-CD1 4.42Å; W270-L468 HydrophobicContact CZ3-CB 4.19Å
271	D	95.3	Very high	94	Very high	150 Å²	150	67.4 Å²	67.4	80%	0.802	36%	0.356	S	S	*	.	S	Bend	trans	-82.5	-16.1	175.4	-59.9	-47.2	0	0	0	113.5	K465	D271-K465 WeakPolarHBondContact O-CD 3.41Å
272	K	96.9	Very high	94.5	Very high	153 Å²	153	62.9 Å²	62.9	67%	0.665	33%	0.334	S	S	*	.	S	Bend	trans	-156.7	155.8	-179.1	64.4	-179.3	-178.6	179.7	0	112.3	K465	K272-K465 CarbonylContact C-O 3.59Å
273	P	97.7	Very high	94.7	Very high	60 Å²	60	63.7 Å²	63.7	39%	0.39	34%	0.339	S	S	.	.			trans	-58	156.5	172.5	-25.3	35.3	0	0	0	113.3	K465 K467	P273-K465 VanDerWaalsContact N-O 3.17Å; P273-K467 VanDerWaalsContact CA-O 3.29Å; P273-K467 WeakPolarHBondContact CA-O 3.24Å; P273-K467 HydrophobicContact CB-CG 3.85Å; P273-K467 HydrophobicContact CG-CD 4.33Å; P273-K467 HydrophobicContact CG-CG 3.81Å
274	R	98.2	Very high	94.5	Very high	118 Å²	118	61.8 Å²	61.8	45%	0.445	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.8	176.8	-60.5	-177.2	-171.7	175.6	0.9	111	W270 K467 L468 I469	W270-R274 HydrophobicContact CD2-CG 4.36Å; W270-R274 HydrophobicContact CE3-CB 4.31Å; W270-R274 HydrophobicContact CE3-CG 3.7Å; W270-R274 HydrophobicContact CH2-CB 4.43Å; W270-R274 HydrophobicContact CH2-CG 4.33Å; W270-R274 HydrophobicContact CZ3-CB 3.82Å; W270-R274 HydrophobicContact CZ3-CG 3.69Å; R274-K467 PolarHBondContact N-O 3.03Å; R274-K467 VanDerWaalsContact N-O 3.1Å; R274-L468 HydrophobicContact CB-CD1 3.94Å; R274-I469 PolarHBondContact O-N 3.4Å
275	L	98.1	Very high	94.2	Very high	99 Å²	99	61.7 Å²	61.7	52%	0.518	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.6	177.4	172.3	65.9	0	0	0	109.3	Q277 I469 V471	L275-Q277 HydrophobicContact CD1-CG 4.34Å; L275-Q277 HydrophobicContact CG-CG 4.29Å; L275-I469 CarbonylContact C-O 3.48Å; L275-I469 VanDerWaalsContact CA-O 3.3Å; L275-I469 WeakPolarHBondContact CA-O 3.47Å; L275-I469 HydrophobicContact CD1-CB 3.87Å; L275-I469 HydrophobicContact CD1-CG2 3.63Å; L275-V471 HydrophobicContact CD1-CG2 4.27Å
276	V	98.3	Very high	94	Very high	27 Å²	27	60.6 Å²	60.6	16%	0.164	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.5	171.8	172.1	0	0	0	0	109.1	T188 N192 L468 I469 T470 V471	T188-V276 HydrophobicContact CG2-CG1 3.69Å; N192-V276 HydrophobicContact CB-CG2 4.01Å; V276-L468 HydrophobicContact CB-CD1 4.43Å; V276-L468 HydrophobicContact CG2-CD1 3.84Å; V276-I469 PolarHBondContact N-O 2.78Å; V276-T470 HydrophobicContact CB-CG2 4.44Å; V276-T470 HydrophobicContact CG1-CG2 4.41Å; V276-T470 WeakPolarHBondContact O-CA 3.36Å; V276-V471 PolarHBondContact O-N 3.29Å
277	Q	98	Very high	93.5	Very high	121 Å²	121	58.5 Å²	58.5	57%	0.565	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.9	177.6	-61.8	-169.7	-17.8	0	0	109.9	L275 V471	L275-Q277 HydrophobicContact CD1-CG 4.34Å; L275-Q277 HydrophobicContact CG-CG 4.29Å; Q277-V471 WeakPolarHBondContact CA-O 3.46Å; Q277-V471 HydrophobicContact CG-CB 4.42Å
278	L	96.6	Very high	93.2	Very high	33 Å²	33	58.6 Å²	58.6	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	169.4	177.9	64.8	160.1	0	0	0	110.7	F185 T188 T470 V471 M472 R473	F185-L278 HydrophobicContact CD2-CD1 4.48Å; F185-L278 HydrophobicContact CD2-CD2 4.06Å; F185-L278 HydrophobicContact CE2-CD2 4.33Å; T188-L278 HydrophobicContact CG2-CD1 4.49Å; T188-L278 HydrophobicContact CG2-CD2 4.32Å; L278-T470 HydrophobicContact CD2-CG2 3.56Å; L278-V471 WeakPolarHBondContact CD2-O 3.29Å; L278-V471 PolarHBondContact N-O 2.86Å; L278-M472 HydrophobicContact CD1-CB 4.38Å; L278-M472 HydrophobicContact CD1-CG 4.19Å; L278-M472 HydrophobicContact CD1-SD 3.79Å; L278-M472 HydrophobicContact CD2-CB 3.94Å; L278-M472 HydrophobicContact CG-CB 3.79Å; L278-M472 HydrophobicContact CG-CG 3.85Å; L278-M472 HydrophobicContact CG-SD 4.14Å; L278-M472 VanDerWaalsContact O-CA 3.31Å; L278-M472 WeakPolarHBondContact O-CA 3.25Å; L278-R473 PolarHBondContact O-N 2.89Å; L278-R473 VanDerWaalsContact O-N 3.11Å
279	T	96.5	Very high	92.7	Very high	66 Å²	66	59.6 Å²	59.6	41%	0.405	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.2	179.1	51.7	0	0	0	0	110.9	R473 D475 W478	T279-R473 CarbonylContact C-O 3.55Å; T279-R473 WeakPolarHBondContact CA-O 3.27Å; T279-D475 HydrophobicContact CG2-CB 4.05Å; T279-W478 PolarHBondContact O-NE1 2.97Å
280	C	94	Very high	92.5	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.054	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	169.5	173.6	64.2	0	0	0	0	111.3	M472 R473 P474 D475 W478	C280-M472 HydrophobicContact CB-CE 4.18Å; C280-M472 HydrophobicContact CB-CG 3.88Å; C280-M472 HydrophobicContact CB-SD 3.72Å; C280-R473 PolarHBondContact N-O 2.99Å; C280-P474 CarbonylContact O-C 3.59Å; C280-P474 WeakPolarHBondContact O-CA 3.35Å; C280-D475 PolarHBondContact O-N 3.41Å; C280-W478 VanDerWaalsContact C-CG 3.5Å
281	E	90.4	Very high	92.3	Very high	24 Å²	24	60.1 Å²	60.1	11%	0.112	31%	0.314	C	S	.	.			trans	-67.2	142.7	166.6	-162.1	176.1	137.3	0	0	110.6	W478 R479 P819	E281-W478 HydrophobicContact CB-CD2 4.12Å; E281-W478 HydrophobicContact CB-CE3 3.73Å; E281-W478 HydrophobicContact CB-CZ3 4.12Å; E281-W478 HydrophobicContact CG-CE3 4.26Å; E281-R479 HydrophobicContact CG-CG 4.02Å; E281-R479 IonicContact OE1-CZ 3.39Å; E281-R479 IonicContact OE1-NE 2.73Å; E281-R479 PolarHBondContact OE1-NE 2.98Å; E281-R479 IonicContact OE1-NH2 3.16Å; E281-R479 PolarHBondContact OE1-NH2 3.05Å; E281-R479 WeakPolarHBondContact OE2-CG 3.38Å; E281-R479 IonicContact OE2-NE 2.72Å; E281-R479 PolarHBondContact OE2-NE 3.29Å; E281-P819 HydrophobicContact CG-CB 4.3Å; E281-P819 WeakPolarHBondContact OE1-CA 3.45Å; E281-P819 WeakPolarHBondContact OE1-CB 3.48Å
282	P	89.5	Confident	92.2	Very high	42 Å²	42	55.5 Å²	55.5	27%	0.273	29%	0.287	S	S	.	.			trans	-59.5	139.5	168.7	-21.6	32.5	0	0	0	111.4	P284 P474 D475	P282-P284 WeakPolarHBondContact O-CD 3.31Å; P282-P474 HydrophobicContact CB-CB 4.31Å; P282-P474 HydrophobicContact CG-CB 4.14Å; P282-D475 WeakPolarHBondContact CD-O 3.29Å
283	D	88.5	Confident	92.2	Very high	32 Å²	32	48.5 Å²	48.5	17%	0.171	26%	0.258	C	S	.	.			trans	-84.7	111.6	175.9	-176.9	-8.6	0	0	0	109.4	M285 N286 A685	D283-M285 PolarHBondContact O-N 2.99Å; D283-M285 WeakPolarHBondContact OD1-CB 3.49Å; D283-M285 PolarHBondContact OD1-N 3.38Å; D283-N286 HydrophobicContact CB-CB 4.13Å; D283-N286 WeakPolarHBondContact O-CB 3.27Å; D283-N286 PolarHBondContact O-N 3.39Å; D283-N286 VanDerWaalsContact O-N 3.12Å; D283-A685 WeakPolarHBondContact OD1-CB 3.1Å; D283-A685 PolarHBondContact OD2-N 3.41Å
284	P	84.1	Confident	92.2	Very high	34 Å²	34	46 Å²	46	22%	0.221	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.8	-179.2	30.3	-35.8	0	0	0	113.3	P282 P819 M1010	P282-P284 WeakPolarHBondContact O-CD 3.31Å; P284-P819 HydrophobicContact CG-CG 4.25Å; P284-M1010 VanDerWaalsContact O-O 3.07Å
285	M	87.5	Confident	92.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.6	176.8	-64.9	-169.6	58.9	0	0	113.2	D283 P287 W683 A685 I688 A720 Q724 M818 M1010	D283-M285 PolarHBondContact O-N 2.99Å; D283-M285 WeakPolarHBondContact OD1-CB 3.49Å; D283-M285 PolarHBondContact OD1-N 3.38Å; M285-P287 VanDerWaalsContact O-CD 3.32Å; M285-P287 WeakPolarHBondContact O-CD 3.45Å; M285-W683 WeakPolarHBondContact CE-O 3.38Å; M285-A685 HydrophobicContact CG-CB 4.44Å; M285-A685 HydrophobicContact SD-CB 4.27Å; M285-I688 HydrophobicContact CE-CD1 3.81Å; M285-I688 HydrophobicContact SD-CD1 3.83Å; M285-A720 HydrophobicContact CE-CB 3.95Å; M285-Q724 HydrophobicContact CB-CG 4.4Å; M285-Q724 HydrophobicContact CE-CG 3.9Å; M285-Q724 WeakPolarHBondContact O-CG 3.5Å; M285-Q724 PolarHBondContact O-OE1 3.4Å; M285-M818 HydrophobicContact CG-CE 4.19Å; M285-M818 HydrophobicContact CG-SD 4.44Å; M285-M818 HydrophobicContact SD-CE 3.37Å; M285-M818 WeakPolarHBondContact SD-CE 3.42Å; M285-M818 HydrophobicContact SD-SD 3.99Å; M285-M1010 HydrophobicContact CE-CE 3.56Å; M285-M1010 HydrophobicContact CG-CB 3.64Å; M285-M1010 HydrophobicContact CG-CG 4.31Å; M285-M1010 HydrophobicContact SD-CB 4.35Å; M285-M1010 HydrophobicContact SD-CE 4.18Å; M285-M1010 HydrophobicContact SD-CG 4.41Å
286	N	88	Confident	92.3	Very high	31 Å²	31	35.7 Å²	35.7	17%	0.166	20%	0.196	C	C	.	.			trans	-67.5	120.9	-175	-173.6	-8.9	0	0	0	110.9	D283 H288 R291 E292	D283-N286 HydrophobicContact CB-CB 4.13Å; D283-N286 WeakPolarHBondContact O-CB 3.27Å; D283-N286 PolarHBondContact O-N 3.39Å; D283-N286 VanDerWaalsContact O-N 3.12Å; N286-H288 PolarHBondContact ND2-O 2.87Å; N286-H288 PolarHBondContact O-N 3.11Å; N286-H288 PolarHBondContact OD1-N 3.03Å; N286-H288 PolarHBondContact OD1-O 2.87Å; N286-R291 PolarHBondContact ND2-O 3.25Å; N286-E292 VanDerWaalsContact ND2-CG 3.29Å; N286-E292 WeakPolarHBondContact ND2-CG 3.39Å
287	P	85.1	Confident	92.3	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.117	19%	0.189	C	C	.	.	S	Bend	trans	-77	-9.6	-179.1	28.5	-30.1	0	0	0	113.1	M285 Q724 A727 V1012	M285-P287 VanDerWaalsContact O-CD 3.32Å; M285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-Q724 VanDerWaalsContact CG-OE1 3.31Å; P287-A727 HydrophobicContact CB-CB 4.38Å; P287-A727 HydrophobicContact CG-CB 3.82Å; P287-V1012 HydrophobicContact CB-CG2 4.39Å
288	H	89.3	Confident	92.3	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.056	16%	0.162	C	C	.	.			trans	-125.3	87.7	-177.6	-52.8	-67.3	0	0	0	111.5	N286 D290 R291 Q676 A727	N286-H288 PolarHBondContact ND2-O 2.87Å; N286-H288 PolarHBondContact O-N 3.11Å; N286-H288 PolarHBondContact OD1-N 3.03Å; N286-H288 PolarHBondContact OD1-O 2.87Å; H288-D290 PolarHBondContact O-N 2.85Å; H288-R291 HydrophobicContact CB-CB 3.87Å; H288-R291 HydrophobicContact CB-CG 4.17Å; H288-R291 CarbonylContact O-C 3.58Å; H288-R291 WeakPolarHBondContact O-CA 3.38Å; H288-R291 PolarHBondContact O-N 3.27Å; H288-Q676 PolarHBondContact NE2-OE1 3.47Å; H288-A727 PolarHBondContact CE1-O 2.93Å
289	P	84.2	Confident	92.4	Very high	99 Å²	99	27.3 Å²	27.3	64%	0.643	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	179.5	-24.7	34.3	0	0	0	114.7	R291	P289-R291 VanDerWaalsContact C-N 3.3Å
290	D	89.6	Confident	92.5	Very high	88 Å²	88	25.4 Å²	25.4	47%	0.471	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.9	173.3	69.6	-49	0	0	0	113.2	H288 R365	H288-D290 PolarHBondContact O-N 2.85Å; D290-R365 WeakPolarHBondContact O-CA 3.5Å; D290-R365 WeakPolarHBondContact O-CG 3.22Å; D290-R365 IonicContact OD2-CZ 3.95Å; D290-R365 IonicContact OD2-NE 2.75Å; D290-R365 PolarHBondContact OD2-NE 3.1Å; D290-R365 IonicContact OD2-NH2 2.82Å; D290-R365 PolarHBondContact OD2-NH2 3.23Å
291	R	93.3	Very high	92.7	Very high	47 Å²	47	25.2 Å²	25.2	18%	0.177	14%	0.138	C	C	.	.			trans	-127.5	65.1	-173.4	-62.2	-166.9	-157.7	-133.3	17.9	111.3	N286 H288 P289 G336 L339 G363 R365	N286-R291 PolarHBondContact ND2-O 3.25Å; H288-R291 HydrophobicContact CB-CB 3.87Å; H288-R291 HydrophobicContact CB-CG 4.17Å; H288-R291 CarbonylContact O-C 3.58Å; H288-R291 WeakPolarHBondContact O-CA 3.38Å; H288-R291 PolarHBondContact O-N 3.27Å; P289-R291 VanDerWaalsContact C-N 3.3Å; R291-G336 PolarHBondContact NH1-O 3.1Å; R291-L339 HydrophobicContact CB-CD1 4.32Å; R291-G363 WeakPolarHBondContact CB-O 3.47Å; R291-G363 WeakPolarHBondContact O-CA 3.18Å; R291-R365 HydrophobicContact CG-CG 3.92Å; R291-R365 VanDerWaalsContact CZ-NH1 3.29Å; R291-R365 VanDerWaalsContact NE-NH2 3.1Å
292	E	92.6	Very high	93	Very high	52 Å²	52	24.9 Å²	24.9	24%	0.243	14%	0.137	C	C	.	.			trans	-113	-7	-178.1	-70.8	-175.7	105.8	0	0	113.3	N286 P474	N286-E292 VanDerWaalsContact ND2-CG 3.29Å; N286-E292 WeakPolarHBondContact ND2-CG 3.39Å; E292-P474 HydrophobicContact CB-CB 4.3Å; E292-P474 HydrophobicContact CB-CG 3.59Å; E292-P474 HydrophobicContact CG-CG 4.43Å
293	C	97.3	Very high	93.4	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	149.7	-174.6	-57.6	0	0	0	0	111.5	G363 V364 L369 M472	C293-G363 PolarHBondContact O-N 3.22Å; C293-V364 HydrophobicContact CB-CB 4.48Å; C293-V364 VanDerWaalsContact CB-O 3.28Å; C293-V364 WeakPolarHBondContact CB-O 3.12Å; C293-V364 PolarHBondContact N-O 3.29Å; C293-V364 VanDerWaalsContact N-O 3.07Å; C293-V364 PolarHBondContact O-N 2.81Å; C293-L369 HydrophobicContact CB-CD1 3.91Å; C293-L369 HydrophobicContact CB-CD2 3.84Å; C293-L369 HydrophobicContact CB-CG 4.29Å; C293-M472 WeakPolarHBondContact CA-O 3.45Å
294	C	97.7	Very high	93.8	Very high	8 Å²	8	23.2 Å²	23.2	5%	0.054	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	169.4	-64	0	0	0	0	109.4	F185 I342 V361 M472	F185-C294 HydrophobicContact CE2-CB 4.26Å; F185-C294 HydrophobicContact CZ-CB 4.38Å; C294-I342 HydrophobicContact CB-CD1 3.78Å; C294-V361 WeakPolarHBondContact CA-O 3.4Å; C294-M472 HydrophobicContact CB-CB 4.19Å; C294-M472 HydrophobicContact CB-CE 4.1Å; C294-M472 PolarHBondContact N-O 3.48Å; C294-M472 PolarHBondContact O-N 3.45Å
295	V	98.7	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.5	175.7	64.1	0	0	0	0	110.9	Y337 G360 V361 V364 L369 F372 T470 V471	V295-Y337 HydrophobicContact CG1-CE1 4.26Å; V295-G360 WeakPolarHBondContact O-CA 3.22Å; V295-V361 HydrophobicContact CG1-CG2 3.77Å; V295-V361 PolarHBondContact N-O 2.53Å; V295-V361 PolarHBondContact O-N 3.41Å; V295-V364 HydrophobicContact CG1-CG1 4.5Å; V295-V364 HydrophobicContact CG1-CG2 4.05Å; V295-L369 HydrophobicContact CB-CD2 3.76Å; V295-L369 HydrophobicContact CG1-CD2 4.09Å; V295-L369 HydrophobicContact CG2-CD2 4.38Å; V295-F372 HydrophobicContact CB-CD1 4.32Å; V295-F372 HydrophobicContact CB-CG 4.39Å; V295-F372 HydrophobicContact CG1-CB 4.25Å; V295-F372 HydrophobicContact CG1-CD1 3.96Å; V295-F372 HydrophobicContact CG1-CD2 3.68Å; V295-F372 HydrophobicContact CG1-CE1 4.13Å; V295-F372 HydrophobicContact CG1-CE2 3.86Å; V295-F372 HydrophobicContact CG1-CG 3.68Å; V295-F372 HydrophobicContact CG1-CZ 4.05Å; V295-F372 HydrophobicContact CG2-CB 3.98Å; V295-F372 HydrophobicContact CG2-CD1 3.48Å; V295-F372 VanDerWaalsContact CG2-CD1 3.48Å; V295-F372 HydrophobicContact CG2-CE1 4.04Å; V295-F372 HydrophobicContact CG2-CG 3.77Å; V295-T470 CarbonylContact C-O 3.58Å; V295-T470 VanDerWaalsContact CA-O 3.3Å; V295-T470 WeakPolarHBondContact CA-O 3.42Å; V295-V471 HydrophobicContact CG2-CG2 3.88Å
296	S	98.7	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157	173.2	74.8	0	0	0	0	113.5	I189 V359 I469 T470	I189-S296 WeakPolarHBondContact CD1-OG 3.5Å; S296-V359 CarbonylContact C-O 3.53Å; S296-V359 WeakPolarHBondContact CA-O 3.33Å; S296-V359 WeakPolarHBondContact CB-O 3.4Å; S296-I469 WeakPolarHBondContact O-CA 3.24Å; S296-T470 PolarHBondContact N-O 3.01Å; S296-T470 PolarHBondContact O-N 2.94Å
297	L	98.7	Very high	95.2	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.2	169.2	-176.5	62.7	0	0	0	106.8	F299 V359 F372 I376 K467 L468 I469	L297-F299 HydrophobicContact CB-CE2 4.49Å; L297-F299 HydrophobicContact CD2-CE1 4.27Å; L297-F299 HydrophobicContact CD2-CE2 3.93Å; L297-F299 HydrophobicContact CD2-CZ 3.42Å; L297-F299 VanDerWaalsContact CD2-CZ 3.42Å; L297-F299 HydrophobicContact CG-CE1 4.36Å; L297-F299 HydrophobicContact CG-CE2 3.75Å; L297-F299 HydrophobicContact CG-CZ 3.62Å; L297-V359 PolarHBondContact N-O 3.26Å; L297-V359 PolarHBondContact O-N 2.77Å; L297-F372 HydrophobicContact CB-CD1 4.34Å; L297-F372 HydrophobicContact CB-CE1 3.88Å; L297-I376 HydrophobicContact CB-CD1 3.67Å; L297-I376 HydrophobicContact CD2-CB 4.05Å; L297-I376 HydrophobicContact CD2-CD1 3.82Å; L297-I376 HydrophobicContact CD2-CG2 3.88Å; L297-I376 HydrophobicContact CG-CD1 4.39Å; L297-K467 HydrophobicContact CD1-CB 4.19Å; L297-K467 HydrophobicContact CD1-CD 4.27Å; L297-K467 HydrophobicContact CD1-CG 4.3Å; L297-L468 WeakPolarHBondContact CA-O 3.31Å; L297-I469 HydrophobicContact CD1-CG1 3.7Å
298	S	98.7	Very high	95.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.9	-174.3	-57.7	0	0	0	0	110.5	I189 F357 H358 K467 L468	I189-S298 WeakPolarHBondContact CG2-OG 3.49Å; S298-F357 CarbonylContact C-O 3.56Å; S298-F357 WeakPolarHBondContact CA-O 3.47Å; S298-H358 VanDerWaalsContact CB-ND1 3.29Å; S298-H358 WeakPolarHBondContact CB-ND1 3.42Å; S298-H358 PolarHBondContact OG-ND1 2.77Å; S298-K467 CarbonylContact O-C 3.6Å; S298-K467 VanDerWaalsContact O-CA 3.22Å; S298-K467 WeakPolarHBondContact O-CA 3.02Å; S298-L468 PolarHBondContact N-O 3.13Å; S298-L468 PolarHBondContact O-N 3.42Å
299	F	98.6	Very high	96.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	-175	-58.2	-93.4	0	0	0	110.3	L297 L301 S356 F357 F461 N464 K467	L297-F299 HydrophobicContact CB-CE2 4.49Å; L297-F299 HydrophobicContact CD2-CE1 4.27Å; L297-F299 HydrophobicContact CD2-CE2 3.93Å; L297-F299 HydrophobicContact CD2-CZ 3.42Å; L297-F299 VanDerWaalsContact CD2-CZ 3.42Å; L297-F299 HydrophobicContact CG-CE1 4.36Å; L297-F299 HydrophobicContact CG-CE2 3.75Å; L297-F299 HydrophobicContact CG-CZ 3.62Å; F299-L301 HydrophobicContact CB-CD2 4.36Å; F299-S356 CarbonylContact O-C 3.59Å; F299-S356 WeakPolarHBondContact O-CA 3.43Å; F299-S356 WeakPolarHBondContact O-CB 3.41Å; F299-F357 AromaticContact CD2-CD1 3.95Å; F299-F357 HydrophobicContact CD2-CD1 3.95Å; F299-F357 HydrophobicContact CE2-CD1 4.33Å; F299-F357 PolarHBondContact N-O 3.21Å; F299-F357 PolarHBondContact O-N 3.1Å; F299-F461 HydrophobicContact CB-CD1 4.26Å; F299-F461 HydrophobicContact CD1-CB 4.4Å; F299-F461 HydrophobicContact CD1-CD1 4.28Å; F299-F461 HydrophobicContact CD2-CD1 4.07Å; F299-F461 HydrophobicContact CE1-CB 4.1Å; F299-F461 WeakPolarHBondContact CE1-O 3.27Å; F299-F461 HydrophobicContact CE2-CD1 4.47Å; F299-F461 AromaticContact CG-CD1 3.96Å; F299-F461 HydrophobicContact CG-CD1 3.96Å; F299-F461 HydrophobicContact CZ-CB 4.27Å; F299-N464 HydrophobicContact CD1-CB 4.31Å; F299-K467 HydrophobicContact CD1-CB 3.71Å; F299-K467 HydrophobicContact CD1-CD 4.28Å; F299-K467 HydrophobicContact CE1-CB 3.94Å; F299-K467 HydrophobicContact CE1-CD 3.74Å; F299-K467 HydrophobicContact CG-CB 4.44Å
300	R	97.9	Very high	96.7	Very high	26 Å²	26	27.4 Å²	27.4	10%	0.098	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.9	163.8	172.9	-171.4	173.7	-66.3	3.6	109.3	F194 E267 M269 T354 N464 H466	F194-R300 HydrophobicContact CE1-CB 4Å; F194-R300 HydrophobicContact CE1-CG 3.97Å; E267-R300 PolarHBondContact O-NE 3.26Å; E267-R300 PolarHBondContact O-NH2 2.78Å; M269-R300 PolarHBondContact SD-NH1 3.34Å; R300-T354 HydrophobicContact CG-CG2 3.57Å; R300-N464 PolarHBondContact O-ND2 3.18Å; R300-H466 HydrophobicContact CB-CB 3.96Å; R300-H466 WeakPolarHBondContact CB-CD2 3.35Å; R300-H466 WeakPolarHBondContact CD-CE1 3.31Å; R300-H466 WeakPolarHBondContact CD-ND1 3.27Å; R300-H466 PolarHBondContact N-O 3.3Å
301	L	97.8	Very high	97.1	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-116.2	178.2	-54.6	178.1	0	0	0	111.4	F299 L313 I348 T355 F357 F460 F461	F299-L301 HydrophobicContact CB-CD2 4.36Å; L301-L313 HydrophobicContact CB-CD1 4.27Å; L301-L313 HydrophobicContact CD1-CD1 4.25Å; L301-I348 HydrophobicContact CD1-CD1 3.98Å; L301-I348 HydrophobicContact CD1-CG1 4.34Å; L301-T355 WeakPolarHBondContact CA-O 3.23Å; L301-T355 WeakPolarHBondContact CB-O 3.33Å; L301-T355 PolarHBondContact N-O 3.05Å; L301-F357 HydrophobicContact CD1-CB 3.97Å; L301-F357 HydrophobicContact CD2-CB 4.35Å; L301-F357 HydrophobicContact CG-CB 4.4Å; L301-F460 HydrophobicContact CD2-CB 4.03Å; L301-F461 HydrophobicContact CD2-CD1 4.31Å; L301-F461 HydrophobicContact CD2-CE1 3.72Å
302	V	97.2	Very high	97.3	Very high	16 Å²	16	21.9 Å²	21.9	10%	0.097	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	170.7	-167.9	-60.8	0	0	0	0	111.9	K309 N310 L313 T355 F460	V302-K309 HydrophobicContact CB-CD 4.28Å; V302-K309 HydrophobicContact CG1-CD 3.63Å; V302-K309 HydrophobicContact CG1-CG 4.45Å; V302-K309 HydrophobicContact CG2-CD 4.27Å; V302-K309 HydrophobicContact CG2-CG 4.41Å; V302-N310 WeakPolarHBondContact CG2-OD1 3.11Å; V302-L313 HydrophobicContact CG1-CD1 4.26Å; V302-L313 HydrophobicContact CG2-CD1 3.78Å; V302-T355 PolarHBondContact N-OG1 3.39Å; V302-T355 PolarHBondContact O-N 3.23Å; V302-T355 PolarHBondContact O-OG1 3.45Å; V302-T355 VanDerWaalsContact O-OG1 3.08Å; V302-F460 HydrophobicContact CG1-CD1 4.14Å; V302-F460 HydrophobicContact CG1-CE1 3.4Å; V302-F460 VanDerWaalsContact CG1-CE1 3.4Å; V302-F460 HydrophobicContact CG1-CZ 3.98Å
303	D	97.3	Very high	97.5	Very high	32 Å²	32	19.4 Å²	19.4	17%	0.171	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.4	171	-163.1	-32.7	0	0	0	108.4	L266 Y305 D306 N310 R353	L266-D303 HydrophobicContact CD1-CB 3.75Å; D303-Y305 PolarHBondContact O-N 3.06Å; D303-Y305 VanDerWaalsContact O-N 3.09Å; D303-Y305 WeakPolarHBondContact OD1-CB 3.33Å; D303-Y305 PolarHBondContact OD1-N 3.46Å; D303-D306 PolarHBondContact O-N 2.88Å; D303-D306 VanDerWaalsContact O-N 3.07Å; D303-N310 PolarHBondContact O-ND2 2.82Å; D303-R353 WeakPolarHBondContact CA-O 3.2Å; D303-R353 IonicContact OD1-NE 3Å; D303-R353 IonicContact OD2-CZ 3.85Å; D303-R353 IonicContact OD2-NE 3.19Å; D303-R353 PolarHBondContact OD2-NE 2.87Å; D303-R353 IonicContact OD2-NH2 3.17Å; D303-R353 PolarHBondContact OD2-NH2 2.88Å
304	I	96.7	Very high	97.5	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.036	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.3	173	-164.6	173.2	0	0	0	112.1	D306 R350 R353 T355 N421 H425 V427	I304-D306 PolarHBondContact O-N 3.41Å; I304-R350 WeakPolarHBondContact CD1-O 3.48Å; I304-R353 PolarHBondContact N-O 3.36Å; I304-T355 HydrophobicContact CB-CG2 4.04Å; I304-T355 HydrophobicContact CG1-CG2 4.32Å; I304-N421 HydrophobicContact CD1-CB 3.68Å; I304-H425 HydrophobicContact CG2-CB 3.71Å; I304-V427 HydrophobicContact CG1-CG2 4.45Å; I304-V427 HydrophobicContact CG2-CG2 4.26Å
305	Y	95.1	Very high	97.5	Very high	135 Å²	135	18.8 Å²	18.8	53%	0.529	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.9	173.7	-159	-89.7	0	0	0	114.3	D303 V307 G426	D303-Y305 PolarHBondContact O-N 3.06Å; D303-Y305 VanDerWaalsContact O-N 3.09Å; D303-Y305 WeakPolarHBondContact OD1-CB 3.33Å; D303-Y305 PolarHBondContact OD1-N 3.46Å; Y305-V307 PolarHBondContact O-N 3.24Å; Y305-V307 VanDerWaalsContact O-N 3.16Å; Y305-G426 WeakPolarHBondContact CE2-O 3.44Å
306	D	96.9	Very high	97.5	Very high	55 Å²	55	18.8 Å²	18.8	29%	0.294	9%	0.085	S	C	.	.			trans	-85.3	83.5	178.3	-169.2	-20.9	0	0	0	110.4	D303 I304 Y308 K309 N310	D303-D306 PolarHBondContact O-N 2.88Å; D303-D306 VanDerWaalsContact O-N 3.07Å; I304-D306 PolarHBondContact O-N 3.41Å; D306-Y308 PolarHBondContact O-N 2.97Å; D306-K309 HydrophobicContact CB-CB 4.18Å; D306-K309 PolarHBondContact O-N 2.9Å; D306-K309 WeakPolarHBondContact OD1-CB 3.45Å; D306-K309 PolarHBondContact OD1-N 2.83Å; D306-K309 VanDerWaalsContact OD1-N 3.1Å; D306-K309 WeakPolarHBondContact OD2-CB 3.33Å; D306-K309 WeakPolarHBondContact OD2-CE 3.44Å; D306-K309 IonicContact OD2-NZ 3.23Å; D306-K309 PolarHBondContact OD2-NZ 2.99Å; D306-N310 WeakPolarHBondContact O-CB 3.44Å; D306-N310 PolarHBondContact O-N 2.78Å; D306-N310 PolarHBondContact O-ND2 3.01Å
307	V	97	Very high	97.4	Very high	10 Å²	10	18.8 Å²	18.8	6%	0.061	9%	0.085	C	C	.	.	H	α-helix	trans	-55.9	-55.3	-174.2	178.1	0	0	0	0	111.5	Y305 K309 N310 F311 V427 E431 F432	Y305-V307 PolarHBondContact O-N 3.24Å; Y305-V307 VanDerWaalsContact O-N 3.16Å; V307-K309 PolarHBondContact O-N 2.87Å; V307-N310 PolarHBondContact O-N 2.95Å; V307-F311 PolarHBondContact O-N 2.75Å; V307-V427 HydrophobicContact CG2-CG1 3.28Å; V307-E431 HydrophobicContact CB-CB 4.43Å; V307-E431 HydrophobicContact CB-CG 3.97Å; V307-E431 HydrophobicContact CG1-CB 4.35Å; V307-E431 HydrophobicContact CG1-CG 3.87Å; V307-E431 HydrophobicContact CG2-CB 4.39Å; V307-E431 HydrophobicContact CG2-CG 4.44Å; V307-F432 HydrophobicContact CG1-CB 4.3Å; V307-F432 HydrophobicContact CG1-CD2 4.22Å; V307-F432 HydrophobicContact CG2-CB 4.32Å; V307-F432 HydrophobicContact CG2-CD2 4.27Å
308	Y	97.4	Very high	97.3	Very high	12 Å²	12	20.6 Å²	20.6	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-42	-175.4	-177	-107.4	0	0	0	112.5	D306 N310 F311 V312 N438 R441 F442 E445	D306-Y308 PolarHBondContact O-N 2.97Å; Y308-N310 PolarHBondContact O-N 3.18Å; Y308-F311 HydrophobicContact CD2-CD1 4.42Å; Y308-F311 HydrophobicContact CE2-CD1 4.31Å; Y308-F311 WeakPolarHBondContact O-CB 3.47Å; Y308-F311 PolarHBondContact O-N 2.91Å; Y308-V312 HydrophobicContact CD1-CG2 4.32Å; Y308-V312 HydrophobicContact CE1-CG2 3.82Å; Y308-V312 HydrophobicContact CE2-CG2 4.11Å; Y308-V312 WeakPolarHBondContact O-CG2 3.43Å; Y308-V312 PolarHBondContact O-N 2.98Å; Y308-N438 HydrophobicContact CD2-CB 4.4Å; Y308-R441 VanDerWaalsContact CD1-NH2 3.33Å; Y308-R441 HydrophobicContact CD2-CG 4.33Å; Y308-R441 HydrophobicContact CE1-CG 4.47Å; Y308-R441 HydrophobicContact CE2-CB 3.86Å; Y308-R441 VanDerWaalsContact CE2-CD 3.44Å; Y308-R441 HydrophobicContact CE2-CG 3.62Å; Y308-R441 VanDerWaalsContact CG-CZ 3.49Å; Y308-R441 VanDerWaalsContact CG-NH1 3.35Å; Y308-F442 HydrophobicContact CE2-CB 4.44Å; Y308-F442 WeakPolarHBondContact OH-CA 3.42Å; Y308-F442 PolarHBondContact OH-N 3.45Å; Y308-E445 WeakPolarHBondContact CE1-OE1 3.42Å; Y308-E445 WeakPolarHBondContact CE1-OE2 3.28Å; Y308-E445 PolarHBondContact OH-OE1 3.33Å; Y308-E445 PolarHBondContact OH-OE2 3.47Å
309	K	97.2	Very high	97.2	Very high	65 Å²	65	21.1 Å²	21.1	28%	0.283	10%	0.098	S	C	.	.	H	α-helix	trans	-66.4	-38.6	178	-168.6	178.3	-77	136.2	0	112.1	V302 D306 V307 F311 V312 L313 F456 F460	V302-K309 HydrophobicContact CB-CD 4.28Å; V302-K309 HydrophobicContact CG1-CD 3.63Å; V302-K309 HydrophobicContact CG1-CG 4.45Å; V302-K309 HydrophobicContact CG2-CD 4.27Å; V302-K309 HydrophobicContact CG2-CG 4.41Å; D306-K309 HydrophobicContact CB-CB 4.18Å; D306-K309 PolarHBondContact O-N 2.9Å; D306-K309 WeakPolarHBondContact OD1-CB 3.45Å; D306-K309 PolarHBondContact OD1-N 2.83Å; D306-K309 VanDerWaalsContact OD1-N 3.1Å; D306-K309 WeakPolarHBondContact OD2-CB 3.33Å; D306-K309 WeakPolarHBondContact OD2-CE 3.44Å; D306-K309 IonicContact OD2-NZ 3.23Å; D306-K309 PolarHBondContact OD2-NZ 2.99Å; V307-K309 PolarHBondContact O-N 2.87Å; K309-F311 VanDerWaalsContact C-N 3.28Å; K309-F311 PolarHBondContact O-N 3.35Å; K309-V312 PolarHBondContact O-N 3.36Å; K309-L313 HydrophobicContact CG-CD1 4.19Å; K309-L313 WeakPolarHBondContact O-CB 3.49Å; K309-L313 WeakPolarHBondContact O-CG 3.35Å; K309-L313 PolarHBondContact O-N 2.91Å; K309-F456 HydrophobicContact CG-CE1 3.78Å; K309-F456 HydrophobicContact CG-CZ 4.16Å; K309-F460 HydrophobicContact CD-CE1 4.46Å; K309-F460 HydrophobicContact CD-CE2 4.4Å; K309-F460 HydrophobicContact CD-CZ 3.74Å; K309-F460 HydrophobicContact CG-CZ 4.43Å
310	N	97.3	Very high	97.2	Very high	7 Å²	7	21 Å²	21	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-30.3	173.6	-79.7	-67.6	0	0	0	112.8	V302 D303 D306 V307 Y308 G314 R350 T355	V302-N310 WeakPolarHBondContact CG2-OD1 3.11Å; D303-N310 PolarHBondContact O-ND2 2.82Å; D306-N310 WeakPolarHBondContact O-CB 3.44Å; D306-N310 PolarHBondContact O-N 2.78Å; D306-N310 PolarHBondContact O-ND2 3.01Å; V307-N310 PolarHBondContact O-N 2.95Å; Y308-N310 PolarHBondContact O-N 3.18Å; N310-G314 PolarHBondContact O-N 2.87Å; N310-R350 PolarHBondContact O-NH2 2.89Å; N310-T355 VanDerWaalsContact OD1-CG2 3.27Å; N310-T355 WeakPolarHBondContact OD1-CG2 3.38Å; N310-T355 PolarHBondContact OD1-OG1 3.03Å
311	F	96.1	Very high	97.1	Very high	19 Å²	19	20 Å²	20	8%	0.083	9%	0.094	C	C	.	.	H	α-helix	trans	-66	-51.9	172	171.7	-98.3	0	0	0	111.2	V307 Y308 K309 L313 G314 I315 Y400 I435 N438 V439 F442	V307-F311 PolarHBondContact O-N 2.75Å; Y308-F311 HydrophobicContact CD2-CD1 4.42Å; Y308-F311 HydrophobicContact CE2-CD1 4.31Å; Y308-F311 WeakPolarHBondContact O-CB 3.47Å; Y308-F311 PolarHBondContact O-N 2.91Å; K309-F311 VanDerWaalsContact C-N 3.28Å; K309-F311 PolarHBondContact O-N 3.35Å; F311-L313 VanDerWaalsContact C-N 3.35Å; F311-L313 PolarHBondContact O-N 3.4Å; F311-G314 WeakPolarHBondContact O-CA 3.19Å; F311-G314 PolarHBondContact O-N 2.83Å; F311-I315 HydrophobicContact CD1-CD1 4.25Å; F311-I315 HydrophobicContact CE1-CD1 3.61Å; F311-I315 HydrophobicContact CZ-CD1 3.79Å; F311-I315 PolarHBondContact O-N 3.12Å; F311-I315 VanDerWaalsContact O-N 3.13Å; F311-Y400 HydrophobicContact CE2-CD1 4.37Å; F311-Y400 HydrophobicContact CE2-CE1 4.21Å; F311-I435 HydrophobicContact CE2-CG2 4.17Å; F311-N438 HydrophobicContact CD1-CB 3.77Å; F311-N438 HydrophobicContact CD2-CB 4.11Å; F311-N438 HydrophobicContact CE1-CB 3.89Å; F311-N438 WeakPolarHBondContact CE1-O 3.28Å; F311-N438 HydrophobicContact CE2-CB 4.22Å; F311-N438 HydrophobicContact CG-CB 3.88Å; F311-N438 HydrophobicContact CZ-CB 4.12Å; F311-V439 HydrophobicContact CE2-CG2 4.22Å; F311-V439 HydrophobicContact CZ-CB 4.41Å; F311-V439 HydrophobicContact CZ-CG2 3.68Å; F311-F442 HydrophobicContact CE1-CB 3.85Å; F311-F442 HydrophobicContact CE1-CG 4.43Å
312	V	97.7	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-41.3	177.4	180	0	0	0	0	111.5	Y308 K309 G314 I315 V316 F442 L453 F456	Y308-V312 HydrophobicContact CD1-CG2 4.32Å; Y308-V312 HydrophobicContact CE1-CG2 3.82Å; Y308-V312 HydrophobicContact CE2-CG2 4.11Å; Y308-V312 WeakPolarHBondContact O-CG2 3.43Å; Y308-V312 PolarHBondContact O-N 2.98Å; K309-V312 PolarHBondContact O-N 3.36Å; V312-G314 PolarHBondContact O-N 2.9Å; V312-I315 WeakPolarHBondContact O-CB 3.25Å; V312-I315 PolarHBondContact O-N 3.11Å; V312-V316 WeakPolarHBondContact O-CG2 3.12Å; V312-V316 PolarHBondContact O-N 3.41Å; V312-F442 HydrophobicContact CG1-CD2 4.38Å; V312-F442 HydrophobicContact CG1-CE2 4.34Å; V312-F442 HydrophobicContact CG2-CD2 4.04Å; V312-L453 HydrophobicContact CG1-CD2 4.38Å; V312-F456 HydrophobicContact CB-CD1 4.39Å; V312-F456 HydrophobicContact CB-CE1 3.73Å; V312-F456 HydrophobicContact CB-CZ 3.97Å; V312-F456 HydrophobicContact CG1-CD1 3.85Å; V312-F456 HydrophobicContact CG1-CD2 4.34Å; V312-F456 HydrophobicContact CG1-CE1 3.56Å; V312-F456 HydrophobicContact CG1-CE2 4.08Å; V312-F456 HydrophobicContact CG1-CG 4.23Å; V312-F456 HydrophobicContact CG1-CZ 3.68Å
313	L	98.3	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.6	-33.5	172.1	-78	165.4	0	0	0	112.2	L301 V302 K309 F311 V316 C317 I348 F456 F460 F461	L301-L313 HydrophobicContact CB-CD1 4.27Å; L301-L313 HydrophobicContact CD1-CD1 4.25Å; V302-L313 HydrophobicContact CG1-CD1 4.26Å; V302-L313 HydrophobicContact CG2-CD1 3.78Å; K309-L313 HydrophobicContact CG-CD1 4.19Å; K309-L313 WeakPolarHBondContact O-CB 3.49Å; K309-L313 WeakPolarHBondContact O-CG 3.35Å; K309-L313 PolarHBondContact O-N 2.91Å; F311-L313 VanDerWaalsContact C-N 3.35Å; F311-L313 PolarHBondContact O-N 3.4Å; L313-V316 PolarHBondContact O-N 2.91Å; L313-C317 WeakPolarHBondContact O-CB 3.2Å; L313-C317 PolarHBondContact O-N 3.1Å; L313-C317 PolarHBondContact O-SG 3.35Å; L313-I348 HydrophobicContact CB-CD1 3.94Å; L313-F456 HydrophobicContact CD2-CD1 3.84Å; L313-F456 HydrophobicContact CG-CD1 3.9Å; L313-F456 HydrophobicContact CG-CE1 4.11Å; L313-F460 HydrophobicContact CD2-CB 4.12Å; L313-F460 HydrophobicContact CD2-CD2 3.78Å; L313-F460 HydrophobicContact CD2-CE2 4.46Å; L313-F460 HydrophobicContact CD2-CG 3.96Å; L313-F461 HydrophobicContact CD2-CZ 4.49Å
314	G	96.9	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-47.6	172.9	0	0	0	0	0	112.6	N310 F311 V312 C317 N318	N310-G314 PolarHBondContact O-N 2.87Å; F311-G314 WeakPolarHBondContact O-CA 3.19Å; F311-G314 PolarHBondContact O-N 2.83Å; V312-G314 PolarHBondContact O-N 2.9Å; G314-C317 PolarHBondContact O-N 3.24Å; G314-N318 WeakPolarHBondContact O-CB 3.44Å; G314-N318 VanDerWaalsContact O-CG 3.29Å; G314-N318 PolarHBondContact O-N 3.4Å; G314-N318 PolarHBondContact O-OD1 2.83Å
315	I	97.3	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-49.6	175	-63.9	170.1	0	0	0	110.2	F311 V312 C317 N318 L319 T396 L397 Y400 F442 L453	F311-I315 HydrophobicContact CD1-CD1 4.25Å; F311-I315 HydrophobicContact CE1-CD1 3.61Å; F311-I315 HydrophobicContact CZ-CD1 3.79Å; F311-I315 PolarHBondContact O-N 3.12Å; F311-I315 VanDerWaalsContact O-N 3.13Å; V312-I315 WeakPolarHBondContact O-CB 3.25Å; V312-I315 PolarHBondContact O-N 3.11Å; I315-C317 PolarHBondContact O-N 3.02Å; I315-N318 PolarHBondContact O-N 2.71Å; I315-L319 HydrophobicContact CG2-CD1 3.73Å; I315-L319 HydrophobicContact CG2-CG 4.37Å; I315-L319 WeakPolarHBondContact O-CB 3.32Å; I315-L319 VanDerWaalsContact O-CG 3.28Å; I315-L319 WeakPolarHBondContact O-CG 3.46Å; I315-L319 PolarHBondContact O-N 2.99Å; I315-T396 HydrophobicContact CG2-CG2 4.27Å; I315-L397 HydrophobicContact CD1-CD2 3.89Å; I315-Y400 HydrophobicContact CG1-CE2 3.99Å; I315-F442 HydrophobicContact CD1-CD1 3.73Å; I315-F442 HydrophobicContact CD1-CD2 4.13Å; I315-F442 HydrophobicContact CD1-CE1 3.88Å; I315-F442 HydrophobicContact CD1-CE2 4.27Å; I315-F442 HydrophobicContact CD1-CG 3.85Å; I315-F442 HydrophobicContact CD1-CZ 4.16Å; I315-F442 HydrophobicContact CG2-CZ 4.32Å; I315-L453 HydrophobicContact CG2-CD2 4.2Å
316	V	98.4	Very high	96	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-46.8	179	173.6	0	0	0	0	111.4	V312 L313 L319 L320 L453 F456 V457 F461	V312-V316 WeakPolarHBondContact O-CG2 3.12Å; V312-V316 PolarHBondContact O-N 3.41Å; L313-V316 PolarHBondContact O-N 2.91Å; V316-L319 PolarHBondContact O-N 3.43Å; V316-L320 HydrophobicContact CG1-CD1 3.84Å; V316-L320 HydrophobicContact CG1-CG 4.33Å; V316-L320 WeakPolarHBondContact O-CB 3.41Å; V316-L320 VanDerWaalsContact O-CG 3.25Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.46Å; V316-L453 HydrophobicContact CG2-CB 4.38Å; V316-L453 HydrophobicContact CG2-CD2 3.57Å; V316-F456 HydrophobicContact CG2-CB 4.05Å; V316-V457 HydrophobicContact CG1-CG2 3.63Å; V316-F461 HydrophobicContact CG1-CE2 3.75Å; V316-F461 HydrophobicContact CG1-CZ 4.34Å
317	C	97.8	Very high	96.1	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-40.5	-178.6	-65.6	0	0	0	0	111.8	L313 G314 I315 L320 L321 I348 F357	L313-C317 WeakPolarHBondContact O-CB 3.2Å; L313-C317 PolarHBondContact O-N 3.1Å; L313-C317 PolarHBondContact O-SG 3.35Å; G314-C317 PolarHBondContact O-N 3.24Å; I315-C317 PolarHBondContact O-N 3.02Å; C317-L320 PolarHBondContact O-N 3.21Å; C317-L321 WeakPolarHBondContact O-CB 3.49Å; C317-L321 PolarHBondContact O-N 3.01Å; C317-L321 VanDerWaalsContact O-N 3.11Å; C317-I348 HydrophobicContact CB-CB 4.01Å; C317-I348 HydrophobicContact CB-CG2 4.15Å; C317-F357 HydrophobicContact CB-CD2 3.81Å; C317-F357 HydrophobicContact CB-CE2 3.75Å; C317-F357 WeakPolarHBondContact SG-CD2 3.1Å
318	N	95.7	Very high	96.2	Very high	41 Å²	41	15.6 Å²	15.6	22%	0.219	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-48.1	174.9	-73.4	1.6	0	0	0	110.8	G314 I315 L320 L321 N322 T396	G314-N318 WeakPolarHBondContact O-CB 3.44Å; G314-N318 VanDerWaalsContact O-CG 3.29Å; G314-N318 PolarHBondContact O-N 3.4Å; G314-N318 PolarHBondContact O-OD1 2.83Å; I315-N318 PolarHBondContact O-N 2.71Å; N318-L320 PolarHBondContact O-N 2.89Å; N318-L321 PolarHBondContact O-N 3.31Å; N318-N322 WeakPolarHBondContact O-CB 3.44Å; N318-N322 PolarHBondContact O-N 3.5Å; N318-N322 PolarHBondContact OD1-ND2 2.71Å; N318-N322 VanDerWaalsContact OD1-ND2 3.13Å; N318-T396 HydrophobicContact CB-CG2 4.18Å
319	L	97.5	Very high	96.2	Very high	11 Å²	11	15.2 Å²	15.2	6%	0.058	9%	0.086	C	C	.	.	H	α-helix	trans	-62.2	-29.9	178	-72	168.6	0	0	0	113.6	I315 V316 P327 F388 S392 V393 T396 L453	I315-L319 HydrophobicContact CG2-CD1 3.73Å; I315-L319 HydrophobicContact CG2-CG 4.37Å; I315-L319 WeakPolarHBondContact O-CB 3.32Å; I315-L319 VanDerWaalsContact O-CG 3.28Å; I315-L319 WeakPolarHBondContact O-CG 3.46Å; I315-L319 PolarHBondContact O-N 2.99Å; V316-L319 PolarHBondContact O-N 3.43Å; L319-P327 WeakPolarHBondContact O-CD 3.5Å; L319-F388 HydrophobicContact CB-CD1 3.71Å; L319-F388 HydrophobicContact CB-CE1 3.58Å; L319-F388 HydrophobicContact CB-CG 4.33Å; L319-F388 HydrophobicContact CB-CZ 4.11Å; L319-F388 HydrophobicContact CD1-CB 4.38Å; L319-F388 HydrophobicContact CD1-CD1 4.24Å; L319-F388 HydrophobicContact CD1-CD2 4.16Å; L319-F388 HydrophobicContact CD1-CE2 4.5Å; L319-F388 HydrophobicContact CD1-CG 4.01Å; L319-F388 HydrophobicContact CG-CD1 4.42Å; L319-S392 WeakPolarHBondContact CD2-O 3.37Å; L319-V393 HydrophobicContact CD1-CG2 3.95Å; L319-V393 HydrophobicContact CD2-CG2 4.37Å; L319-T396 VanDerWaalsContact CD2-OG1 3.3Å; L319-T396 WeakPolarHBondContact CD2-OG1 3.46Å; L319-L453 HydrophobicContact CD1-CD1 3.9Å
320	L	98.4	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-78.7	-32	179.3	-76.4	174.4	0	0	0	113.2	V316 C317 N318 P327 L328 F357 L380 V383 F388 V457 F461	V316-L320 HydrophobicContact CG1-CD1 3.84Å; V316-L320 HydrophobicContact CG1-CG 4.33Å; V316-L320 WeakPolarHBondContact O-CB 3.41Å; V316-L320 VanDerWaalsContact O-CG 3.25Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.46Å; C317-L320 PolarHBondContact O-N 3.21Å; N318-L320 PolarHBondContact O-N 2.89Å; L320-P327 HydrophobicContact CD2-CG 3.96Å; L320-P327 WeakPolarHBondContact O-CD 3.25Å; L320-L328 HydrophobicContact CB-CD1 3.89Å; L320-L328 HydrophobicContact CB-CG 4.41Å; L320-L328 WeakPolarHBondContact O-CB 3.48Å; L320-L328 VanDerWaalsContact O-CG 3.28Å; L320-L328 WeakPolarHBondContact O-CG 3.4Å; L320-L328 PolarHBondContact O-N 3.14Å; L320-F357 HydrophobicContact CB-CZ 4.49Å; L320-F357 HydrophobicContact CD1-CE1 4.41Å; L320-F357 HydrophobicContact CD1-CZ 4.49Å; L320-L380 HydrophobicContact CD1-CD2 3.93Å; L320-L380 HydrophobicContact CD2-CD2 3.76Å; L320-V383 HydrophobicContact CD2-CB 4.49Å; L320-V383 HydrophobicContact CD2-CG1 4.11Å; L320-V383 HydrophobicContact CD2-CG2 4.04Å; L320-F388 HydrophobicContact CD2-CE1 3.88Å; L320-F388 HydrophobicContact CD2-CZ 3.78Å; L320-F388 HydrophobicContact CG-CE1 4.18Å; L320-F388 HydrophobicContact CG-CZ 3.94Å; L320-V457 HydrophobicContact CD1-CG2 4.37Å; L320-F461 HydrophobicContact CD1-CD2 4.1Å; L320-F461 HydrophobicContact CD1-CE2 3.6Å; L320-F461 HydrophobicContact CD1-CZ 4.31Å
321	L	96.1	Very high	96.2	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-126	-34.2	-163.5	-165.5	141.9	0	0	0	115.2	C317 N318 A326 L328 W341 N346 F357	C317-L321 WeakPolarHBondContact O-CB 3.49Å; C317-L321 PolarHBondContact O-N 3.01Å; C317-L321 VanDerWaalsContact O-N 3.11Å; N318-L321 PolarHBondContact O-N 3.31Å; L321-A326 VanDerWaalsContact C-CB 3.41Å; L321-L328 HydrophobicContact CB-CD1 4.43Å; L321-L328 HydrophobicContact CD1-CD1 4.4Å; L321-W341 HydrophobicContact CD1-CE3 4.5Å; L321-W341 HydrophobicContact CD1-CH2 4.24Å; L321-W341 HydrophobicContact CD1-CZ3 4.16Å; L321-W341 HydrophobicContact CD2-CZ2 4.5Å; L321-W341 HydrophobicContact CG-CH2 4.08Å; L321-W341 HydrophobicContact CG-CZ2 4.04Å; L321-W341 HydrophobicContact CG-CZ3 4.42Å; L321-N346 HydrophobicContact CD1-CB 4.13Å; L321-N346 HydrophobicContact CD2-CB 4.12Å; L321-F357 HydrophobicContact CD1-CE2 4.15Å; L321-F357 HydrophobicContact CD1-CZ 4.13Å
322	N	91.6	Very high	96.3	Very high	74 Å²	74	17 Å²	17	40%	0.396	10%	0.096	S	C	.	.	S	Bend	trans	-91.2	137.3	-171.5	-62.6	-2.8	0	0	0	111.6	N318 A326	N318-N322 WeakPolarHBondContact O-CB 3.44Å; N318-N322 PolarHBondContact O-N 3.5Å; N318-N322 PolarHBondContact OD1-ND2 2.71Å; N318-N322 VanDerWaalsContact OD1-ND2 3.13Å; N322-A326 WeakPolarHBondContact O-CB 3.43Å
323	G	90	Very high	96.2	Very high	27 Å²	27	17.1 Å²	17.1	28%	0.278	10%	0.096	S	C	.	.	S	Bend	trans	89.7	159.4	-179.6	0	0	0	0	0	112.8	N325 A326	G323-N325 PolarHBondContact O-N 2.95Å; G323-A326 WeakPolarHBondContact O-CB 3.45Å; G323-A326 PolarHBondContact O-N 2.9Å
324	D	90.6	Very high	96.1	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.053	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.4	-176.8	-62.9	-61.9	0	0	0	112.1	Y329 R591 Y599 D603 R670	D324-Y329 HydrophobicContact CB-CD1 4.38Å; D324-Y329 HydrophobicContact CB-CE1 4.01Å; D324-Y329 VanDerWaalsContact O-CD1 3.28Å; D324-Y329 WeakPolarHBondContact O-CD1 3.13Å; D324-Y329 VanDerWaalsContact OD1-CZ 3.3Å; D324-Y329 PolarHBondContact OD1-OH 3.19Å; D324-R591 IonicContact OD1-CZ 3.56Å; D324-R591 IonicContact OD1-NH2 3.75Å; D324-R591 PolarHBondContact OD1-NH2 3.03Å; D324-R591 IonicContact OD2-NE 3.87Å; D324-R591 IonicContact OD2-NH2 2.69Å; D324-Y599 HydrophobicContact CB-CD2 4.2Å; D324-Y599 HydrophobicContact CB-CE2 3.86Å; D324-D603 PolarHBondContact N-OD2 3.49Å; D324-R670 IonicContact OD1-CZ 3.44Å; D324-R670 IonicContact OD1-NH1 3.86Å; D324-R670 PolarHBondContact OD1-NH1 3.08Å; D324-R670 IonicContact OD1-NH2 2.58Å; D324-R670 PolarHBondContact OD1-NH2 3.49Å; D324-R670 IonicContact OD2-CZ 3.03Å; D324-R670 IonicContact OD2-NH1 3.9Å; D324-R670 IonicContact OD2-NH2 3.32Å; D324-R670 PolarHBondContact OD2-NH2 3.45Å
325	N	92.2	Very high	96	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.102	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.9	176.4	-71.6	-51	0	0	0	114.8	G323 R330 S600 D603	G323-N325 PolarHBondContact O-N 2.95Å; N325-R330 PolarHBondContact O-NE 3.44Å; N325-R330 PolarHBondContact O-NH2 3.33Å; N325-R330 PolarHBondContact OD1-NH2 2.92Å; N325-S600 PolarHBondContact ND2-O 2.92Å; N325-S600 VanDerWaalsContact OD1-CB 3.27Å; N325-S600 WeakPolarHBondContact OD1-CB 3.4Å; N325-S600 PolarHBondContact OD1-OG 3.29Å; N325-D603 PolarHBondContact ND2-OD2 2.87Å
326	A	96.5	Very high	95.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.033	15%	0.15	C	C	.	.			trans	-65.3	135.5	-177.9	0	0	0	0	0	111.9	L321 N322 G323 L328 Y329 R330	L321-A326 VanDerWaalsContact C-CB 3.41Å; N322-A326 WeakPolarHBondContact O-CB 3.43Å; G323-A326 WeakPolarHBondContact O-CB 3.45Å; G323-A326 PolarHBondContact O-N 2.9Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 PolarHBondContact O-N 3.21Å; A326-Y329 WeakPolarHBondContact O-CB 3.49Å; A326-Y329 PolarHBondContact O-N 2.95Å; A326-R330 WeakPolarHBondContact O-CG 3.3Å; A326-R330 PolarHBondContact O-N 3.4Å
327	P	98.1	Very high	95.7	Very high	33 Å²	33	26.1 Å²	26.1	21%	0.214	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-35.4	-176.4	25.1	-33.8	0	0	0	112.9	L319 L320 G331 I379 V383	L319-P327 WeakPolarHBondContact O-CD 3.5Å; L320-P327 HydrophobicContact CD2-CG 3.96Å; L320-P327 WeakPolarHBondContact O-CD 3.25Å; P327-G331 PolarHBondContact O-N 2.81Å; P327-I379 HydrophobicContact CB-CG2 3.83Å; P327-V383 HydrophobicContact CB-CG2 3.92Å; P327-V383 HydrophobicContact CG-CG2 3.73Å
328	L	98.5	Very high	95.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.1	-34.5	174.8	-63	170.7	0	0	0	111.9	L320 L321 A326 L332 W341 F357 V359 I376 I379	L320-L328 HydrophobicContact CB-CD1 3.89Å; L320-L328 HydrophobicContact CB-CG 4.41Å; L320-L328 WeakPolarHBondContact O-CB 3.48Å; L320-L328 VanDerWaalsContact O-CG 3.28Å; L320-L328 WeakPolarHBondContact O-CG 3.4Å; L320-L328 PolarHBondContact O-N 3.14Å; L321-L328 HydrophobicContact CB-CD1 4.43Å; L321-L328 HydrophobicContact CD1-CD1 4.4Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 PolarHBondContact O-N 3.21Å; L328-L332 HydrophobicContact CB-CD1 4.37Å; L328-L332 HydrophobicContact CD2-CD1 4.3Å; L328-L332 WeakPolarHBondContact O-CB 3.4Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 3.35Å; L328-W341 HydrophobicContact CB-CH2 3.95Å; L328-F357 HydrophobicContact CD1-CE1 4.24Å; L328-F357 HydrophobicContact CD1-CZ 3.88Å; L328-V359 HydrophobicContact CD1-CG1 4.26Å; L328-V359 HydrophobicContact CD1-CG2 3.75Å; L328-V359 HydrophobicContact CD2-CG1 4.46Å; L328-I376 HydrophobicContact CD2-CG2 4.39Å; L328-I379 HydrophobicContact CD2-CB 4.48Å; L328-I379 HydrophobicContact CD2-CD1 4.35Å; L328-I379 HydrophobicContact CD2-CG2 4.02Å
329	Y	97.5	Very high	95.6	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-50.7	173.3	174.3	-92.5	0	0	0	110.9	D324 A326 G331 L332 I333 E334 W341 R670 M677	D324-Y329 HydrophobicContact CB-CD1 4.38Å; D324-Y329 HydrophobicContact CB-CE1 4.01Å; D324-Y329 VanDerWaalsContact O-CD1 3.28Å; D324-Y329 WeakPolarHBondContact O-CD1 3.13Å; D324-Y329 VanDerWaalsContact OD1-CZ 3.3Å; D324-Y329 PolarHBondContact OD1-OH 3.19Å; A326-Y329 WeakPolarHBondContact O-CB 3.49Å; A326-Y329 PolarHBondContact O-N 2.95Å; Y329-G331 VanDerWaalsContact C-N 3.33Å; Y329-G331 PolarHBondContact O-N 3.45Å; Y329-L332 PolarHBondContact O-N 3.04Å; Y329-I333 HydrophobicContact CD2-CB 3.9Å; Y329-I333 HydrophobicContact CD2-CG1 4.17Å; Y329-I333 HydrophobicContact CD2-CG2 4.22Å; Y329-I333 HydrophobicContact CE2-CB 3.87Å; Y329-I333 HydrophobicContact CE2-CG1 4.46Å; Y329-I333 HydrophobicContact CE2-CG2 3.68Å; Y329-I333 WeakPolarHBondContact O-CA 3.38Å; Y329-I333 PolarHBondContact O-N 3.24Å; Y329-E334 HydrophobicContact CD1-CB 4.39Å; Y329-E334 HydrophobicContact CE1-CB 4.01Å; Y329-E334 PolarHBondContact O-N 3.28Å; Y329-W341 HydrophobicContact CD2-CZ2 4.45Å; Y329-W341 AromaticContact CD2-NE1 3.99Å; Y329-R670 PolarHBondContact OH-NH1 3.23Å; Y329-M677 HydrophobicContact CE2-SD 4.18Å
330	R	97	Very high	95.6	Very high	107 Å²	107	25.3 Å²	25.3	40%	0.404	15%	0.15	S	C	.	.	I	π-helix	trans	-59.7	-45.3	178.7	-62.1	-172.7	-175	165.1	0.9	111.7	N325 A326 E334 S335	N325-R330 PolarHBondContact O-NE 3.44Å; N325-R330 PolarHBondContact O-NH2 3.33Å; N325-R330 PolarHBondContact OD1-NH2 2.92Å; A326-R330 WeakPolarHBondContact O-CG 3.3Å; A326-R330 PolarHBondContact O-N 3.4Å; R330-E334 WeakPolarHBondContact CG-OE2 3.46Å; R330-S335 WeakPolarHBondContact O-CB 3.36Å; R330-S335 PolarHBondContact O-N 3.18Å
331	G	97.6	Very high	95.5	Very high	20 Å²	20	26.7 Å²	26.7	21%	0.206	16%	0.155	C	C	.	.	I	π-helix	trans	-75.2	-24.5	-176.2	0	0	0	0	0	115.2	P327 Y329 S335	P327-G331 PolarHBondContact O-N 2.81Å; Y329-G331 VanDerWaalsContact C-N 3.33Å; Y329-G331 PolarHBondContact O-N 3.45Å; G331-S335 VanDerWaalsContact C-OG 3.23Å; G331-S335 WeakPolarHBondContact O-CB 3.17Å; G331-S335 PolarHBondContact O-OG 2.83Å
332	L	98.2	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-118.8	-28	-172.3	-59.1	175.5	0	0	0	115.2	L328 Y329 Y337 G338 W341 V359 V361 F372 I375 I376 I379	L328-L332 HydrophobicContact CB-CD1 4.37Å; L328-L332 HydrophobicContact CD2-CD1 4.3Å; L328-L332 WeakPolarHBondContact O-CB 3.4Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 3.35Å; Y329-L332 PolarHBondContact O-N 3.04Å; L332-Y337 HydrophobicContact CD2-CD1 4.14Å; L332-Y337 WeakPolarHBondContact O-CB 3.41Å; L332-G338 PolarHBondContact O-N 3.24Å; L332-W341 HydrophobicContact CB-CH2 4.46Å; L332-W341 HydrophobicContact CD1-CH2 4.22Å; L332-W341 HydrophobicContact CD1-CZ3 4.16Å; L332-V359 HydrophobicContact CD1-CG1 3.45Å; L332-V359 VanDerWaalsContact CD1-CG1 3.45Å; L332-V361 HydrophobicContact CB-CG1 4.17Å; L332-V361 HydrophobicContact CD1-CG1 4.4Å; L332-F372 HydrophobicContact CD1-CE2 4.14Å; L332-F372 HydrophobicContact CD1-CZ 4.48Å; L332-F372 HydrophobicContact CD2-CD2 4.29Å; L332-F372 HydrophobicContact CD2-CE2 3.9Å; L332-I375 HydrophobicContact CD2-CG2 3.7Å; L332-I376 HydrophobicContact CD1-CG1 4.21Å; L332-I379 HydrophobicContact CG-CD1 4.44Å
333	I	96.8	Very high	95.3	Very high	3 Å²	3	26 Å²	26	2%	0.015	17%	0.166	C	C	.	.	I	π-helix	trans	-109	-56.8	-179.2	-56.9	-57.1	0	0	0	110.2	Y329 S335 G336 W341 V361 T673 M677	Y329-I333 HydrophobicContact CD2-CB 3.9Å; Y329-I333 HydrophobicContact CD2-CG1 4.17Å; Y329-I333 HydrophobicContact CD2-CG2 4.22Å; Y329-I333 HydrophobicContact CE2-CB 3.87Å; Y329-I333 HydrophobicContact CE2-CG1 4.46Å; Y329-I333 HydrophobicContact CE2-CG2 3.68Å; Y329-I333 WeakPolarHBondContact O-CA 3.38Å; Y329-I333 PolarHBondContact O-N 3.24Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 2.82Å; I333-G336 WeakPolarHBondContact O-CA 3.39Å; I333-G336 PolarHBondContact O-N 3.35Å; I333-W341 HydrophobicContact CD1-CD2 4.38Å; I333-W341 HydrophobicContact CG1-CD2 4.21Å; I333-W341 HydrophobicContact CG1-CH2 4.42Å; I333-W341 HydrophobicContact CG1-CZ2 3.95Å; I333-V361 HydrophobicContact CD1-CG1 3.93Å; I333-T673 HydrophobicContact CG2-CG2 4.23Å; I333-M677 HydrophobicContact CG2-SD 4.21Å
334	E	95.4	Very high	95.1	Very high	68 Å²	68	33.4 Å²	33.4	32%	0.318	19%	0.185	S	C	.	.	I	π-helix	trans	-63.4	-35.6	-179.8	-166.5	-171.5	-177.7	0	0	112.1	Y329 R330 G336 Y599	Y329-E334 HydrophobicContact CD1-CB 4.39Å; Y329-E334 HydrophobicContact CE1-CB 4.01Å; Y329-E334 PolarHBondContact O-N 3.28Å; R330-E334 WeakPolarHBondContact CG-OE2 3.46Å; E334-G336 PolarHBondContact O-N 3.49Å; E334-G336 VanDerWaalsContact O-N 3.1Å; E334-Y599 PolarHBondContact OE1-OH 3.4Å; E334-Y599 PolarHBondContact OE2-OH 3.44Å
335	S	95.3	Very high	95.5	Very high	73 Å²	73	33 Å²	33	51%	0.51	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.3	173.4	71.2	0	0	0	0	113.9	R330 G331 I333 Y337	R330-S335 WeakPolarHBondContact O-CB 3.36Å; R330-S335 PolarHBondContact O-N 3.18Å; G331-S335 VanDerWaalsContact C-OG 3.23Å; G331-S335 WeakPolarHBondContact O-CB 3.17Å; G331-S335 PolarHBondContact O-OG 2.83Å; I333-S335 VanDerWaalsContact C-N 3.28Å; I333-S335 PolarHBondContact O-N 2.82Å; S335-Y337 VanDerWaalsContact C-N 3.35Å; S335-Y337 PolarHBondContact OG-N 3.39Å
336	G	93	Very high	95.6	Very high	29 Å²	29	34.3 Å²	34.3	30%	0.299	19%	0.19	S	C	.	.	S	Bend	trans	77.5	15.1	-176.6	0	0	0	0	0	114.6	R291 I333 E334	R291-G336 PolarHBondContact NH1-O 3.1Å; I333-G336 WeakPolarHBondContact O-CA 3.39Å; I333-G336 PolarHBondContact O-N 3.35Å; E334-G336 PolarHBondContact O-N 3.49Å; E334-G336 VanDerWaalsContact O-N 3.1Å
337	Y	96.2	Very high	95.7	Very high	19 Å²	19	34.6 Å²	34.6	8%	0.075	19%	0.194	C	C	.	.	S	Bend	trans	-64.7	-56.1	175.5	175.5	-85.6	0	0	0	111.7	V295 L332 S335 V361 V364 D368 F372 I375	V295-Y337 HydrophobicContact CG1-CE1 4.26Å; L332-Y337 HydrophobicContact CD2-CD1 4.14Å; L332-Y337 WeakPolarHBondContact O-CB 3.41Å; S335-Y337 VanDerWaalsContact C-N 3.35Å; S335-Y337 PolarHBondContact OG-N 3.39Å; Y337-V361 HydrophobicContact CD1-CG2 4.21Å; Y337-V361 HydrophobicContact CE1-CG2 3.95Å; Y337-V364 HydrophobicContact CD1-CG2 4.23Å; Y337-V364 HydrophobicContact CE1-CB 4.48Å; Y337-V364 HydrophobicContact CE1-CG1 3.76Å; Y337-V364 HydrophobicContact CE1-CG2 3.79Å; Y337-V364 HydrophobicContact CE2-CG1 4.44Å; Y337-D368 HydrophobicContact CD2-CB 4.43Å; Y337-D368 HydrophobicContact CE2-CB 3.81Å; Y337-D368 PolarHBondContact OH-O 3.46Å; Y337-F372 HydrophobicContact CD1-CD2 4.29Å; Y337-F372 HydrophobicContact CD1-CE2 4.46Å; Y337-F372 AromaticContact CE1-CD2 3.34Å; Y337-F372 HydrophobicContact CE1-CD2 3.34Å; Y337-F372 AromaticContact CE1-CE2 3.79Å; Y337-F372 HydrophobicContact CE1-CE2 3.79Å; Y337-F372 HydrophobicContact CE1-CG 4.4Å; Y337-F372 AromaticContact CZ-CD2 3.57Å; Y337-F372 VanDerWaalsContact OH-CB 3.25Å; Y337-F372 WeakPolarHBondContact OH-CB 3.38Å; Y337-F372 WeakPolarHBondContact OH-CD2 3.42Å; Y337-I375 HydrophobicContact CD2-CD1 3.52Å; Y337-I375 HydrophobicContact CE2-CD1 3.42Å; Y337-I375 VanDerWaalsContact CE2-CD1 3.42Å; Y337-I375 HydrophobicContact CG-CD1 4.42Å
338	G	96.4	Very high	95.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	19%	0.191	C	C	.	.			trans	-108.4	163.8	167	0	0	0	0	0	110.7	L332	L332-G338 PolarHBondContact O-N 3.24Å
339	L	95.4	Very high	95.5	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.063	20%	0.199	C	C	.	.	S	Bend	trans	-89.9	-34.2	176	-62.7	-179.9	0	0	0	112.1	R291 Q362 Q676 M677 A680	R291-L339 HydrophobicContact CB-CD1 4.32Å; L339-Q362 PolarHBondContact N-O 2.93Å; L339-Q676 HydrophobicContact CD2-CB 4.27Å; L339-M677 VanDerWaalsContact O-CA 3.27Å; L339-M677 WeakPolarHBondContact O-CA 3.23Å; L339-M677 WeakPolarHBondContact O-CB 3.4Å; L339-A680 HydrophobicContact CB-CB 3.65Å; L339-A680 HydrophobicContact CD1-CB 4.16Å
340	D	96.1	Very high	95.4	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	166.6	-179.3	-170.6	27	0	0	0	111.8	V361 Q362 M677 A680 G681	D340-V361 WeakPolarHBondContact O-CA 3.48Å; D340-Q362 HydrophobicContact CB-CG 4.09Å; D340-Q362 PolarHBondContact N-O 3Å; D340-Q362 WeakPolarHBondContact O-CG 3.46Å; D340-Q362 PolarHBondContact O-N 3.42Å; D340-Q362 PolarHBondContact OD2-NE2 3.35Å; D340-M677 HydrophobicContact CB-CG 3.87Å; D340-M677 WeakPolarHBondContact OD1-CG 3.16Å; D340-A680 HydrophobicContact CB-CB 4.14Å; D340-G681 WeakPolarHBondContact OD2-CA 3.49Å; D340-G681 PolarHBondContact OD2-N 3.41Å
341	W	97	Very high	95.2	Very high	30 Å²	30	39.8 Å²	39.8	11%	0.114	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	154.1	169.2	-60.4	114	0	0	0	111.9	L321 L328 Y329 L332 I333 N346 V359 V361 Q362	L321-W341 HydrophobicContact CD1-CE3 4.5Å; L321-W341 HydrophobicContact CD1-CH2 4.24Å; L321-W341 HydrophobicContact CD1-CZ3 4.16Å; L321-W341 HydrophobicContact CD2-CZ2 4.5Å; L321-W341 HydrophobicContact CG-CH2 4.08Å; L321-W341 HydrophobicContact CG-CZ2 4.04Å; L321-W341 HydrophobicContact CG-CZ3 4.42Å; L328-W341 HydrophobicContact CB-CH2 3.95Å; Y329-W341 HydrophobicContact CD2-CZ2 4.45Å; Y329-W341 AromaticContact CD2-NE1 3.99Å; L332-W341 HydrophobicContact CB-CH2 4.46Å; L332-W341 HydrophobicContact CD1-CH2 4.22Å; L332-W341 HydrophobicContact CD1-CZ3 4.16Å; I333-W341 HydrophobicContact CD1-CD2 4.38Å; I333-W341 HydrophobicContact CG1-CD2 4.21Å; I333-W341 HydrophobicContact CG1-CH2 4.42Å; I333-W341 HydrophobicContact CG1-CZ2 3.95Å; W341-N346 HydrophobicContact CB-CB 4.23Å; W341-N346 HydrophobicContact CE3-CB 4.29Å; W341-V359 HydrophobicContact CZ3-CG1 4.09Å; W341-V361 HydrophobicContact CE3-CG1 3.65Å; W341-V361 HydrophobicContact CZ3-CG1 3.65Å; W341-Q362 PolarHBondContact O-NE2 2.92Å
342	I	96.4	Very high	95.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	169.4	-63.6	170	0	0	0	108.7	L182 F185 C294 R344 V345 N346 G360 V361 Q362	L182-I342 HydrophobicContact CB-CG2 4.28Å; L182-I342 HydrophobicContact CD1-CG2 4.36Å; L182-I342 HydrophobicContact CD2-CG1 4.3Å; L182-I342 HydrophobicContact CD2-CG2 4.06Å; L182-I342 HydrophobicContact CG-CG2 4.46Å; F185-I342 HydrophobicContact CD1-CD1 3.84Å; F185-I342 HydrophobicContact CD1-CG2 4.3Å; F185-I342 HydrophobicContact CE1-CD1 3.49Å; F185-I342 VanDerWaalsContact CE1-CD1 3.49Å; F185-I342 HydrophobicContact CZ-CD1 4.2Å; C294-I342 HydrophobicContact CB-CD1 3.78Å; I342-R344 PolarHBondContact O-N 3.48Å; I342-V345 HydrophobicContact CB-CB 4.09Å; I342-V345 HydrophobicContact CG2-CB 3.82Å; I342-V345 HydrophobicContact CG2-CG2 3.82Å; I342-V345 CarbonylContact O-C 3.51Å; I342-V345 VanDerWaalsContact O-C 3.3Å; I342-V345 WeakPolarHBondContact O-CA 3.36Å; I342-V345 PolarHBondContact O-N 2.72Å; I342-N346 PolarHBondContact O-N 3.33Å; I342-N346 PolarHBondContact O-ND2 2.93Å; I342-G360 PolarHBondContact N-O 2.67Å; I342-V361 WeakPolarHBondContact CD1-O 3.4Å; I342-Q362 HydrophobicContact CD1-CB 4.47Å; I342-Q362 HydrophobicContact CG1-CB 3.89Å; I342-Q362 HydrophobicContact CG1-CG 4.21Å
343	G	86.4	Confident	95	Very high	62 Å²	62	42.2 Å²	42.2	64%	0.639	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-45.1	-54.8	-169.5	0	0	0	0	0	116.9	V345 N346	G343-V345 VanDerWaalsContact C-N 3.31Å; G343-V345 PolarHBondContact O-N 3.38Å; G343-N346 PolarHBondContact O-ND2 2.94Å
344	R	87.6	Confident	95.1	Very high	183 Å²	183	42.1 Å²	42.1	69%	0.691	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	2.6	179.2	-67.7	-172.2	179.7	-164.6	0	114.6	A186 I342	A186-R344 HydrophobicContact CB-CB 3.93Å; I342-R344 PolarHBondContact O-N 3.48Å
345	V	97.3	Very high	95.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	40.1	-172.8	-166	0	0	0	0	109.8	F185 A186 I189 I342 G343 H358 G360	F185-V345 HydrophobicContact CD1-CG1 4.49Å; F185-V345 HydrophobicContact CD1-CG2 3.95Å; F185-V345 HydrophobicContact CE1-CB 4.42Å; F185-V345 HydrophobicContact CE1-CG1 4.05Å; F185-V345 HydrophobicContact CE1-CG2 4.32Å; A186-V345 HydrophobicContact CB-CG2 3.68Å; I189-V345 HydrophobicContact CD1-CB 4.31Å; I189-V345 HydrophobicContact CD1-CG1 3.31Å; I189-V345 HydrophobicContact CD1-CG2 3.94Å; I342-V345 HydrophobicContact CB-CB 4.09Å; I342-V345 HydrophobicContact CG2-CB 3.82Å; I342-V345 HydrophobicContact CG2-CG2 3.82Å; I342-V345 CarbonylContact O-C 3.51Å; I342-V345 VanDerWaalsContact O-C 3.3Å; I342-V345 WeakPolarHBondContact O-CA 3.36Å; I342-V345 PolarHBondContact O-N 2.72Å; G343-V345 VanDerWaalsContact C-N 3.31Å; G343-V345 PolarHBondContact O-N 3.38Å; V345-H358 HydrophobicContact CG1-CB 3.95Å; V345-G360 WeakPolarHBondContact O-CA 3.3Å; V345-G360 PolarHBondContact O-N 3Å
346	N	96.1	Very high	95.3	Very high	47 Å²	47	35.4 Å²	35.4	25%	0.251	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.7	169	72.3	84.9	0	0	0	108.6	L321 W341 I342 G343 H358	L321-N346 HydrophobicContact CD1-CB 4.13Å; L321-N346 HydrophobicContact CD2-CB 4.12Å; W341-N346 HydrophobicContact CB-CB 4.23Å; W341-N346 HydrophobicContact CE3-CB 4.29Å; I342-N346 PolarHBondContact O-N 3.33Å; I342-N346 PolarHBondContact O-ND2 2.93Å; G343-N346 PolarHBondContact O-ND2 2.94Å; N346-H358 CarbonylContact C-O 3.54Å; N346-H358 VanDerWaalsContact CA-O 3.31Å; N346-H358 WeakPolarHBondContact CA-O 3.44Å
347	G	97.1	Very high	95.6	Very high	10 Å²	10	34 Å²	34	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.7	-170.3	179	0	0	0	0	0	114.4	F357 H358	G347-F357 VanDerWaalsContact C-CD2 3.48Å; G347-F357 WeakPolarHBondContact O-CA 3.43Å; G347-F357 VanDerWaalsContact O-CD2 3.31Å; G347-F357 WeakPolarHBondContact O-CD2 3.28Å; G347-H358 PolarHBondContact N-O 2.89Å; G347-H358 PolarHBondContact O-N 2.8Å
348	I	96.6	Very high	95.7	Very high	31 Å²	31	33.6 Å²	33.6	16%	0.159	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.9	-177.6	-179.1	156.5	0	0	0	111	L301 L313 C317 R350 S356	L301-I348 HydrophobicContact CD1-CD1 3.98Å; L301-I348 HydrophobicContact CD1-CG1 4.34Å; L313-I348 HydrophobicContact CB-CD1 3.94Å; C317-I348 HydrophobicContact CB-CB 4.01Å; C317-I348 HydrophobicContact CB-CG2 4.15Å; I348-R350 HydrophobicContact CG1-CG 4.16Å; I348-R350 VanDerWaalsContact CG2-NH1 3.34Å; I348-S356 CarbonylContact C-O 3.51Å; I348-S356 WeakPolarHBondContact CA-O 3.23Å
349	D	96.2	Very high	95.8	Very high	33 Å²	33	33.6 Å²	33.6	18%	0.176	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.2	177.5	-179	-2.9	0	0	0	110	E351 T355 S356 H358	D349-E351 VanDerWaalsContact OD1-CB 3.27Å; D349-E351 WeakPolarHBondContact OD1-CB 3.2Å; D349-E351 WeakPolarHBondContact OD1-CG 3.17Å; D349-E351 PolarHBondContact OD1-N 2.93Å; D349-T355 WeakPolarHBondContact O-CA 3.17Å; D349-T355 WeakPolarHBondContact O-CB 3.49Å; D349-S356 PolarHBondContact N-O 3.46Å; D349-S356 PolarHBondContact O-N 2.86Å; D349-H358 IonicContact OD2-NE2 3.8Å
350	R	94.7	Very high	96	Very high	76 Å²	76	33 Å²	33	29%	0.287	16%	0.163	S	C	.	.			trans	-124.1	21.5	178.7	-53.5	-175	-175.2	87.4	-8.3	112.2	I304 N310 I348 T352 T355 N421	I304-R350 WeakPolarHBondContact CD1-O 3.48Å; N310-R350 PolarHBondContact O-NH2 2.89Å; I348-R350 HydrophobicContact CG1-CG 4.16Å; I348-R350 VanDerWaalsContact CG2-NH1 3.34Å; R350-T352 PolarHBondContact O-N 3.19Å; R350-T355 HydrophobicContact CB-CG2 4.29Å; R350-T355 HydrophobicContact CG-CG2 4.1Å; R350-N421 WeakPolarHBondContact O-CB 3.41Å; R350-N421 PolarHBondContact O-ND2 2.98Å
351	E	93.5	Very high	96.1	Very high	114 Å²	114	32 Å²	32	53%	0.533	16%	0.157	S	C	.	.	S	Bend	trans	-81.3	-1	178.3	-61.6	-172.7	172.9	0	0	113.4	D349 N421	D349-E351 VanDerWaalsContact OD1-CB 3.27Å; D349-E351 WeakPolarHBondContact OD1-CB 3.2Å; D349-E351 WeakPolarHBondContact OD1-CG 3.17Å; D349-E351 PolarHBondContact OD1-N 2.93Å; E351-N421 PolarHBondContact O-OD1 3.3Å
352	T	95.9	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-133.8	163.3	-178.1	60.9	0	0	0	0	111.3	Y198 R350 T354	Y198-T352 HydrophobicContact CD1-CG2 3.88Å; Y198-T352 HydrophobicContact CD2-CG2 3.94Å; Y198-T352 HydrophobicContact CE1-CG2 3.71Å; Y198-T352 VanDerWaalsContact CE2-CB 3.49Å; Y198-T352 HydrophobicContact CE2-CG2 3.79Å; Y198-T352 HydrophobicContact CG-CG2 3.96Å; Y198-T352 VanDerWaalsContact CZ-CB 3.44Å; R350-T352 PolarHBondContact O-N 3.19Å; T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact O-N 2.7Å; T352-T354 PolarHBondContact OG1-O 3.25Å
353	R	96.7	Very high	96	Very high	70 Å²	70	31.6 Å²	31.6	26%	0.264	16%	0.158	S	C	.	.	S	Bend	trans	-58.5	-41	178.1	-176.2	176.5	174.9	169.2	0.3	112.4	Y198 V264 D303 I304 H425	Y198-R353 PolarHBondContact OH-N 3.31Å; V264-R353 HydrophobicContact CG1-CB 3.77Å; V264-R353 WeakPolarHBondContact O-CD 3.49Å; V264-R353 PolarHBondContact O-NH1 3.49Å; D303-R353 WeakPolarHBondContact CA-O 3.2Å; D303-R353 IonicContact OD1-NE 3Å; D303-R353 IonicContact OD2-CZ 3.85Å; D303-R353 IonicContact OD2-NE 3.19Å; D303-R353 PolarHBondContact OD2-NE 2.87Å; D303-R353 IonicContact OD2-NH2 3.17Å; D303-R353 PolarHBondContact OD2-NH2 2.88Å; I304-R353 PolarHBondContact N-O 3.36Å; R353-H425 PolarHBondContact N-NE2 2.88Å
354	T	97.8	Very high	96.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.3	176.4	-48.3	0	0	0	0	107.7	F194 L266 E267 R300 T352	F194-T354 HydrophobicContact CE1-CG2 4Å; F194-T354 WeakPolarHBondContact CE2-O 3.42Å; F194-T354 HydrophobicContact CZ-CG2 4.4Å; F194-T354 WeakPolarHBondContact CZ-O 3.4Å; L266-T354 HydrophobicContact CD1-CG2 4.19Å; L266-T354 VanDerWaalsContact CD1-OG1 3.29Å; L266-T354 WeakPolarHBondContact CD1-OG1 3.29Å; E267-T354 HydrophobicContact CB-CG2 4.19Å; E267-T354 PolarHBondContact N-OG1 2.99Å; R300-T354 HydrophobicContact CG-CG2 3.57Å; T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact O-N 2.7Å; T352-T354 PolarHBondContact OG1-O 3.25Å
355	T	97.8	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	159.1	-176.1	62.2	0	0	0	0	111.9	L301 V302 I304 N310 D349 R350	L301-T355 WeakPolarHBondContact CA-O 3.23Å; L301-T355 WeakPolarHBondContact CB-O 3.33Å; L301-T355 PolarHBondContact N-O 3.05Å; V302-T355 PolarHBondContact N-OG1 3.39Å; V302-T355 PolarHBondContact O-N 3.23Å; V302-T355 PolarHBondContact O-OG1 3.45Å; V302-T355 VanDerWaalsContact O-OG1 3.08Å; I304-T355 HydrophobicContact CB-CG2 4.04Å; I304-T355 HydrophobicContact CG1-CG2 4.32Å; N310-T355 VanDerWaalsContact OD1-CG2 3.27Å; N310-T355 WeakPolarHBondContact OD1-CG2 3.38Å; N310-T355 PolarHBondContact OD1-OG1 3.03Å; D349-T355 WeakPolarHBondContact O-CA 3.17Å; D349-T355 WeakPolarHBondContact O-CB 3.49Å; R350-T355 HydrophobicContact CB-CG2 4.29Å; R350-T355 HydrophobicContact CG-CG2 4.1Å
356	S	98.2	Very high	96.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	161.4	178.9	35.4	0	0	0	0	113.2	F299 I348 D349 H358	F299-S356 CarbonylContact O-C 3.59Å; F299-S356 WeakPolarHBondContact O-CA 3.43Å; F299-S356 WeakPolarHBondContact O-CB 3.41Å; I348-S356 CarbonylContact C-O 3.51Å; I348-S356 WeakPolarHBondContact CA-O 3.23Å; D349-S356 PolarHBondContact N-O 3.46Å; D349-S356 PolarHBondContact O-N 2.86Å; S356-H358 WeakPolarHBondContact CB-NE2 3.11Å; S356-H358 PolarHBondContact OG-NE2 3.21Å
357	F	98.6	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.3	165.9	175	-120.6	0	0	0	109.3	S298 F299 L301 C317 L320 L321 L328 G347 V359 F461	S298-F357 CarbonylContact C-O 3.56Å; S298-F357 WeakPolarHBondContact CA-O 3.47Å; F299-F357 AromaticContact CD2-CD1 3.95Å; F299-F357 HydrophobicContact CD2-CD1 3.95Å; F299-F357 HydrophobicContact CE2-CD1 4.33Å; F299-F357 PolarHBondContact N-O 3.21Å; F299-F357 PolarHBondContact O-N 3.1Å; L301-F357 HydrophobicContact CD1-CB 3.97Å; L301-F357 HydrophobicContact CD2-CB 4.35Å; L301-F357 HydrophobicContact CG-CB 4.4Å; C317-F357 HydrophobicContact CB-CD2 3.81Å; C317-F357 HydrophobicContact CB-CE2 3.75Å; C317-F357 WeakPolarHBondContact SG-CD2 3.1Å; L320-F357 HydrophobicContact CB-CZ 4.49Å; L320-F357 HydrophobicContact CD1-CE1 4.41Å; L320-F357 HydrophobicContact CD1-CZ 4.49Å; L321-F357 HydrophobicContact CD1-CE2 4.15Å; L321-F357 HydrophobicContact CD1-CZ 4.13Å; L328-F357 HydrophobicContact CD1-CE1 4.24Å; L328-F357 HydrophobicContact CD1-CZ 3.88Å; G347-F357 VanDerWaalsContact C-CD2 3.48Å; G347-F357 WeakPolarHBondContact O-CA 3.43Å; G347-F357 VanDerWaalsContact O-CD2 3.31Å; G347-F357 WeakPolarHBondContact O-CD2 3.28Å; F357-V359 HydrophobicContact CD1-CG2 4.11Å; F357-V359 HydrophobicContact CE1-CG2 3.35Å; F357-V359 HydrophobicContact CZ-CG2 3.65Å; F357-F461 HydrophobicContact CB-CE1 3.79Å; F357-F461 HydrophobicContact CB-CZ 4.46Å; F357-F461 AromaticContact CD1-CD1 3.95Å; F357-F461 HydrophobicContact CD1-CD1 3.95Å; F357-F461 AromaticContact CD1-CE1 3.45Å; F357-F461 HydrophobicContact CD1-CE1 3.45Å; F357-F461 VanDerWaalsContact CD1-CE1 3.45Å; F357-F461 AromaticContact CD1-CZ 3.9Å; F357-F461 HydrophobicContact CD1-CZ 3.9Å; F357-F461 HydrophobicContact CE1-CE1 4.29Å; F357-F461 HydrophobicContact CE1-CZ 4.4Å; F357-F461 AromaticContact CG-CE1 3.87Å; F357-F461 HydrophobicContact CG-CE1 3.87Å; F357-F461 HydrophobicContact CG-CZ 4.26Å
358	H	98.6	Very high	96.9	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.046	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.3	-176.6	-56.5	-79.2	0	0	0	110.3	S298 V345 N346 G347 D349 S356	S298-H358 VanDerWaalsContact CB-ND1 3.29Å; S298-H358 WeakPolarHBondContact CB-ND1 3.42Å; S298-H358 PolarHBondContact OG-ND1 2.77Å; V345-H358 HydrophobicContact CG1-CB 3.95Å; N346-H358 CarbonylContact C-O 3.54Å; N346-H358 VanDerWaalsContact CA-O 3.31Å; N346-H358 WeakPolarHBondContact CA-O 3.44Å; G347-H358 PolarHBondContact N-O 2.89Å; G347-H358 PolarHBondContact O-N 2.8Å; D349-H358 IonicContact OD2-NE2 3.8Å; S356-H358 WeakPolarHBondContact CB-NE2 3.11Å; S356-H358 PolarHBondContact OG-NE2 3.21Å
359	V	98.7	Very high	96.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	97.9	167.4	-173.3	0	0	0	0	107	S296 L297 L328 L332 W341 F357 F372 I376	S296-V359 CarbonylContact C-O 3.53Å; S296-V359 WeakPolarHBondContact CA-O 3.33Å; S296-V359 WeakPolarHBondContact CB-O 3.4Å; L297-V359 PolarHBondContact N-O 3.26Å; L297-V359 PolarHBondContact O-N 2.77Å; L328-V359 HydrophobicContact CD1-CG1 4.26Å; L328-V359 HydrophobicContact CD1-CG2 3.75Å; L328-V359 HydrophobicContact CD2-CG1 4.46Å; L332-V359 HydrophobicContact CD1-CG1 3.45Å; L332-V359 VanDerWaalsContact CD1-CG1 3.45Å; W341-V359 HydrophobicContact CZ3-CG1 4.09Å; F357-V359 HydrophobicContact CD1-CG2 4.11Å; F357-V359 HydrophobicContact CE1-CG2 3.35Å; F357-V359 HydrophobicContact CZ-CG2 3.65Å; V359-F372 HydrophobicContact CG1-CZ 4.31Å; V359-I376 HydrophobicContact CB-CD1 3.92Å; V359-I376 HydrophobicContact CG1-CD1 3.7Å; V359-I376 HydrophobicContact CG1-CG1 4.34Å
360	G	98.5	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.4	-175.3	0	0	0	0	0	112	V295 I342 V345	V295-G360 WeakPolarHBondContact O-CA 3.22Å; I342-G360 PolarHBondContact N-O 2.67Å; V345-G360 WeakPolarHBondContact O-CA 3.3Å; V345-G360 PolarHBondContact O-N 3Å
361	V	98.4	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.9	-177.5	-65	0	0	0	0	111.1	C294 V295 L332 I333 Y337 D340 W341 I342 V364 F372	C294-V361 WeakPolarHBondContact CA-O 3.4Å; V295-V361 HydrophobicContact CG1-CG2 3.77Å; V295-V361 PolarHBondContact N-O 2.53Å; V295-V361 PolarHBondContact O-N 3.41Å; L332-V361 HydrophobicContact CB-CG1 4.17Å; L332-V361 HydrophobicContact CD1-CG1 4.4Å; I333-V361 HydrophobicContact CD1-CG1 3.93Å; Y337-V361 HydrophobicContact CD1-CG2 4.21Å; Y337-V361 HydrophobicContact CE1-CG2 3.95Å; D340-V361 WeakPolarHBondContact O-CA 3.48Å; W341-V361 HydrophobicContact CE3-CG1 3.65Å; W341-V361 HydrophobicContact CZ3-CG1 3.65Å; I342-V361 WeakPolarHBondContact CD1-O 3.4Å; V361-V364 HydrophobicContact CB-CG2 4.46Å; V361-V364 HydrophobicContact CG2-CG2 3.67Å; V361-F372 HydrophobicContact CG2-CD2 4.38Å; V361-F372 HydrophobicContact CG2-CE2 3.54Å; V361-F372 HydrophobicContact CG2-CZ 3.96Å
362	Q	96.4	Very high	97.2	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	164.3	174.8	55.5	174	-6.3	0	0	110.8	L339 D340 W341 I342 A680	L339-Q362 PolarHBondContact N-O 2.93Å; D340-Q362 HydrophobicContact CB-CG 4.09Å; D340-Q362 PolarHBondContact N-O 3Å; D340-Q362 WeakPolarHBondContact O-CG 3.46Å; D340-Q362 PolarHBondContact O-N 3.42Å; D340-Q362 PolarHBondContact OD2-NE2 3.35Å; W341-Q362 PolarHBondContact O-NE2 2.92Å; I342-Q362 HydrophobicContact CD1-CB 4.47Å; I342-Q362 HydrophobicContact CG1-CB 3.89Å; I342-Q362 HydrophobicContact CG1-CG 4.21Å; Q362-A680 PolarHBondContact NE2-O 3.35Å
363	G	95.6	Very high	97.2	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	34.6	-177.4	0	0	0	0	0	113.4	R291 C293	R291-G363 WeakPolarHBondContact CB-O 3.47Å; R291-G363 WeakPolarHBondContact O-CA 3.18Å; C293-G363 PolarHBondContact O-N 3.22Å
364	V	97.4	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.3	-178.3	-176	0	0	0	0	110.7	C293 V295 Y337 V361 D368 L369	C293-V364 HydrophobicContact CB-CB 4.48Å; C293-V364 VanDerWaalsContact CB-O 3.28Å; C293-V364 WeakPolarHBondContact CB-O 3.12Å; C293-V364 PolarHBondContact N-O 3.29Å; C293-V364 VanDerWaalsContact N-O 3.07Å; C293-V364 PolarHBondContact O-N 2.81Å; V295-V364 HydrophobicContact CG1-CG1 4.5Å; V295-V364 HydrophobicContact CG1-CG2 4.05Å; Y337-V364 HydrophobicContact CD1-CG2 4.23Å; Y337-V364 HydrophobicContact CE1-CB 4.48Å; Y337-V364 HydrophobicContact CE1-CG1 3.76Å; Y337-V364 HydrophobicContact CE1-CG2 3.79Å; Y337-V364 HydrophobicContact CE2-CG1 4.44Å; V361-V364 HydrophobicContact CB-CG2 4.46Å; V361-V364 HydrophobicContact CG2-CG2 3.67Å; V364-D368 HydrophobicContact CG1-CB 4.36Å; V364-L369 HydrophobicContact CB-CD2 4.27Å; V364-L369 HydrophobicContact CG1-CD2 3.86Å; V364-L369 HydrophobicContact CG1-CG 4.44Å
365	R	96.5	Very high	97.3	Very high	73 Å²	73	38.5 Å²	38.5	28%	0.275	20%	0.2	S	C	.	.			trans	-74.6	142.6	173	-61.1	-174.5	174	80.2	-1.5	111.6	D290 R291 N367 D368	D290-R365 WeakPolarHBondContact O-CA 3.5Å; D290-R365 WeakPolarHBondContact O-CG 3.22Å; D290-R365 IonicContact OD2-CZ 3.95Å; D290-R365 IonicContact OD2-NE 2.75Å; D290-R365 PolarHBondContact OD2-NE 3.1Å; D290-R365 IonicContact OD2-NH2 2.82Å; D290-R365 PolarHBondContact OD2-NH2 3.23Å; R291-R365 HydrophobicContact CG-CG 3.92Å; R291-R365 VanDerWaalsContact CZ-NH1 3.29Å; R291-R365 VanDerWaalsContact NE-NH2 3.1Å; R365-N367 PolarHBondContact O-N 2.91Å; R365-N367 VanDerWaalsContact O-N 3.13Å; R365-D368 HydrophobicContact CB-CB 4.46Å; R365-D368 WeakPolarHBondContact CB-OD2 3.48Å; R365-D368 PolarHBondContact O-N 3.41Å
366	A	96.3	Very high	97.4	Very high	52 Å²	52	38.5 Å²	38.5	43%	0.43	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.5	179.9	0	0	0	0	0	113.7	D368 L369	A366-D368 VanDerWaalsContact C-N 3.32Å; A366-D368 PolarHBondContact O-N 3.03Å; A366-L369 WeakPolarHBondContact O-CD1 3.4Å; A366-L369 WeakPolarHBondContact O-CG 3.45Å
367	N	96.4	Very high	97.4	Very high	148 Å²	148	40.5 Å²	40.5	79%	0.791	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-19	-178.3	-66.7	-15.8	0	0	0	113.7	R365	R365-N367 PolarHBondContact O-N 2.91Å; R365-N367 VanDerWaalsContact O-N 3.13Å
368	D	96.2	Very high	97.4	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13.9	-175.6	-63.9	-32.7	0	0	0	112.3	Y337 V364 R365 A366 E370 N371	Y337-D368 HydrophobicContact CD2-CB 4.43Å; Y337-D368 HydrophobicContact CE2-CB 3.81Å; Y337-D368 PolarHBondContact OH-O 3.46Å; V364-D368 HydrophobicContact CG1-CB 4.36Å; R365-D368 HydrophobicContact CB-CB 4.46Å; R365-D368 WeakPolarHBondContact CB-OD2 3.48Å; R365-D368 PolarHBondContact O-N 3.41Å; A366-D368 VanDerWaalsContact C-N 3.32Å; A366-D368 PolarHBondContact O-N 3.03Å; D368-E370 VanDerWaalsContact C-N 3.28Å; D368-E370 PolarHBondContact O-N 3.07Å; D368-E370 VanDerWaalsContact O-N 3.17Å; D368-N371 PolarHBondContact O-N 3.21Å
369	L	97.6	Very high	97.4	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-56.5	-35.2	-173.7	-67.7	169.6	0	0	0	114.3	C293 V295 V364 A366 N371 F372 V471 R473	C293-L369 HydrophobicContact CB-CD1 3.91Å; C293-L369 HydrophobicContact CB-CD2 3.84Å; C293-L369 HydrophobicContact CB-CG 4.29Å; V295-L369 HydrophobicContact CB-CD2 3.76Å; V295-L369 HydrophobicContact CG1-CD2 4.09Å; V295-L369 HydrophobicContact CG2-CD2 4.38Å; V364-L369 HydrophobicContact CB-CD2 4.27Å; V364-L369 HydrophobicContact CG1-CD2 3.86Å; V364-L369 HydrophobicContact CG1-CG 4.44Å; A366-L369 WeakPolarHBondContact O-CD1 3.4Å; A366-L369 WeakPolarHBondContact O-CG 3.45Å; L369-N371 VanDerWaalsContact C-N 3.28Å; L369-N371 PolarHBondContact O-N 3.09Å; L369-F372 WeakPolarHBondContact O-CB 3.14Å; L369-F372 PolarHBondContact O-N 3.2Å; L369-V471 HydrophobicContact CD1-CG1 3.75Å; L369-V471 HydrophobicContact CD2-CG1 4.17Å; L369-V471 HydrophobicContact CG-CG1 4.42Å; L369-R473 HydrophobicContact CD1-CG 4.35Å; L369-R473 VanDerWaalsContact CD1-NH2 3.34Å
370	E	95.2	Very high	97.4	Very high	161 Å²	161	45.5 Å²	45.5	75%	0.752	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-70.6	-26.1	-179	-64.6	-173.1	172	0	0	112.6	D368 P373	D368-E370 VanDerWaalsContact C-N 3.28Å; D368-E370 PolarHBondContact O-N 3.07Å; D368-E370 VanDerWaalsContact O-N 3.17Å; E370-P373 WeakPolarHBondContact O-CD 3.39Å
371	N	95.3	Very high	97.4	Very high	85 Å²	85	47.9 Å²	47.9	46%	0.455	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-81.8	-16.6	-179	-65.6	-33.9	0	0	0	112.6	D368 L369 H374 I375	D368-N371 PolarHBondContact O-N 3.21Å; L369-N371 VanDerWaalsContact C-N 3.28Å; L369-N371 PolarHBondContact O-N 3.09Å; N371-H374 WeakPolarHBondContact O-CB 3.41Å; N371-H374 PolarHBondContact O-N 2.97Å; N371-I375 HydrophobicContact CB-CD1 4.16Å; N371-I375 WeakPolarHBondContact O-CG1 3.46Å; N371-I375 PolarHBondContact O-N 2.86Å
372	F	98.3	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-48.8	-49.9	-174.2	-169.3	-115.3	0	0	0	115	V295 L297 L332 Y337 V359 V361 L369 H374 I375 I376	V295-F372 HydrophobicContact CB-CD1 4.32Å; V295-F372 HydrophobicContact CB-CG 4.39Å; V295-F372 HydrophobicContact CG1-CB 4.25Å; V295-F372 HydrophobicContact CG1-CD1 3.96Å; V295-F372 HydrophobicContact CG1-CD2 3.68Å; V295-F372 HydrophobicContact CG1-CE1 4.13Å; V295-F372 HydrophobicContact CG1-CE2 3.86Å; V295-F372 HydrophobicContact CG1-CG 3.68Å; V295-F372 HydrophobicContact CG1-CZ 4.05Å; V295-F372 HydrophobicContact CG2-CB 3.98Å; V295-F372 HydrophobicContact CG2-CD1 3.48Å; V295-F372 VanDerWaalsContact CG2-CD1 3.48Å; V295-F372 HydrophobicContact CG2-CE1 4.04Å; V295-F372 HydrophobicContact CG2-CG 3.77Å; L297-F372 HydrophobicContact CB-CD1 4.34Å; L297-F372 HydrophobicContact CB-CE1 3.88Å; L332-F372 HydrophobicContact CD1-CE2 4.14Å; L332-F372 HydrophobicContact CD1-CZ 4.48Å; L332-F372 HydrophobicContact CD2-CD2 4.29Å; L332-F372 HydrophobicContact CD2-CE2 3.9Å; Y337-F372 HydrophobicContact CD1-CD2 4.29Å; Y337-F372 HydrophobicContact CD1-CE2 4.46Å; Y337-F372 AromaticContact CE1-CD2 3.34Å; Y337-F372 HydrophobicContact CE1-CD2 3.34Å; Y337-F372 AromaticContact CE1-CE2 3.79Å; Y337-F372 HydrophobicContact CE1-CE2 3.79Å; Y337-F372 HydrophobicContact CE1-CG 4.4Å; Y337-F372 AromaticContact CZ-CD2 3.57Å; Y337-F372 VanDerWaalsContact OH-CB 3.25Å; Y337-F372 WeakPolarHBondContact OH-CB 3.38Å; Y337-F372 WeakPolarHBondContact OH-CD2 3.42Å; V359-F372 HydrophobicContact CG1-CZ 4.31Å; V361-F372 HydrophobicContact CG2-CD2 4.38Å; V361-F372 HydrophobicContact CG2-CE2 3.54Å; V361-F372 HydrophobicContact CG2-CZ 3.96Å; L369-F372 WeakPolarHBondContact O-CB 3.14Å; L369-F372 PolarHBondContact O-N 3.2Å; F372-H374 VanDerWaalsContact C-N 3.27Å; F372-H374 PolarHBondContact O-N 2.88Å; F372-I375 PolarHBondContact O-N 3.36Å; F372-I376 HydrophobicContact CD1-CD1 3.94Å; F372-I376 HydrophobicContact CD2-CD1 4.45Å; F372-I376 HydrophobicContact CE1-CD1 3.39Å; F372-I376 HydrophobicContact CE2-CD1 3.99Å; F372-I376 HydrophobicContact CG-CD1 4.47Å; F372-I376 HydrophobicContact CZ-CD1 3.46Å; F372-I376 VanDerWaalsContact CZ-CD1 3.46Å; F372-I376 HydrophobicContact CZ-CG1 4.42Å; F372-I376 PolarHBondContact O-N 2.92Å
373	P	97.7	Very high	97.5	Very high	28 Å²	28	52.4 Å²	52.4	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-28.1	-177.5	-16.7	33.3	0	0	0	112.5	E370 S377 I469	E370-P373 WeakPolarHBondContact O-CD 3.39Å; P373-S377 WeakPolarHBondContact O-CB 3.43Å; P373-S377 PolarHBondContact O-N 2.81Å; P373-I469 HydrophobicContact CB-CD1 4.15Å; P373-I469 HydrophobicContact CB-CG1 4.46Å; P373-I469 HydrophobicContact CG-CD1 3.56Å; P373-I469 HydrophobicContact CG-CG1 3.87Å; P373-I469 HydrophobicContact CG-CG2 4.35Å
374	H	97.9	Very high	97.6	Very high	126 Å²	126	53.9 Å²	53.9	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-71.2	-46.3	176.6	-65.8	91.7	0	0	0	110.5	N371 F372 I376 S377 D378	N371-H374 WeakPolarHBondContact O-CB 3.41Å; N371-H374 PolarHBondContact O-N 2.97Å; F372-H374 VanDerWaalsContact C-N 3.27Å; F372-H374 PolarHBondContact O-N 2.88Å; H374-I376 VanDerWaalsContact C-N 3.31Å; H374-I376 PolarHBondContact O-N 3.02Å; H374-S377 WeakPolarHBondContact O-CB 3.3Å; H374-S377 PolarHBondContact O-N 3.37Å; H374-D378 PolarHBondContact O-N 3Å
375	I	98.4	Very high	97.6	Very high	45 Å²	45	61.6 Å²	61.6	23%	0.231	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-47.4	176.9	-64.2	166.3	0	0	0	110.7	L332 Y337 N371 F372 S377 D378 I379	L332-I375 HydrophobicContact CD2-CG2 3.7Å; Y337-I375 HydrophobicContact CD2-CD1 3.52Å; Y337-I375 HydrophobicContact CE2-CD1 3.42Å; Y337-I375 VanDerWaalsContact CE2-CD1 3.42Å; Y337-I375 HydrophobicContact CG-CD1 4.42Å; N371-I375 HydrophobicContact CB-CD1 4.16Å; N371-I375 WeakPolarHBondContact O-CG1 3.46Å; N371-I375 PolarHBondContact O-N 2.86Å; F372-I375 PolarHBondContact O-N 3.36Å; I375-S377 PolarHBondContact O-N 3.27Å; I375-D378 PolarHBondContact O-N 3.48Å; I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 WeakPolarHBondContact O-CD1 3.32Å; I375-I379 VanDerWaalsContact O-CG1 3.27Å; I375-I379 WeakPolarHBondContact O-CG1 3.26Å; I375-I379 PolarHBondContact O-N 3.22Å
376	I	98.5	Very high	97.7	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-43.8	176.8	-66.7	171.8	0	0	0	111.1	L297 L328 L332 V359 F372 H374 D378 I379 L380	L297-I376 HydrophobicContact CB-CD1 3.67Å; L297-I376 HydrophobicContact CD2-CB 4.05Å; L297-I376 HydrophobicContact CD2-CD1 3.82Å; L297-I376 HydrophobicContact CD2-CG2 3.88Å; L297-I376 HydrophobicContact CG-CD1 4.39Å; L328-I376 HydrophobicContact CD2-CG2 4.39Å; L332-I376 HydrophobicContact CD1-CG1 4.21Å; V359-I376 HydrophobicContact CB-CD1 3.92Å; V359-I376 HydrophobicContact CG1-CD1 3.7Å; V359-I376 HydrophobicContact CG1-CG1 4.34Å; F372-I376 HydrophobicContact CD1-CD1 3.94Å; F372-I376 HydrophobicContact CD2-CD1 4.45Å; F372-I376 HydrophobicContact CE1-CD1 3.39Å; F372-I376 HydrophobicContact CE2-CD1 3.99Å; F372-I376 HydrophobicContact CG-CD1 4.47Å; F372-I376 HydrophobicContact CZ-CD1 3.46Å; F372-I376 VanDerWaalsContact CZ-CD1 3.46Å; F372-I376 HydrophobicContact CZ-CG1 4.42Å; F372-I376 PolarHBondContact O-N 2.92Å; H374-I376 VanDerWaalsContact C-N 3.31Å; H374-I376 PolarHBondContact O-N 3.02Å; I376-D378 VanDerWaalsContact C-N 3.27Å; I376-D378 PolarHBondContact O-N 2.89Å; I376-I379 PolarHBondContact O-N 2.57Å; I376-L380 HydrophobicContact CG2-CD1 3.61Å; I376-L380 HydrophobicContact CG2-CG 3.98Å; I376-L380 WeakPolarHBondContact O-CB 3.35Å; I376-L380 WeakPolarHBondContact O-CG 3.28Å; I376-L380 PolarHBondContact O-N 3.24Å
377	S	98.3	Very high	97.7	Very high	43 Å²	43	61.7 Å²	61.7	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-39.7	178.6	-169.1	0	0	0	0	112.1	P373 H374 I375 S381	P373-S377 WeakPolarHBondContact O-CB 3.43Å; P373-S377 PolarHBondContact O-N 2.81Å; H374-S377 WeakPolarHBondContact O-CB 3.3Å; H374-S377 PolarHBondContact O-N 3.37Å; I375-S377 PolarHBondContact O-N 3.27Å; S377-S381 VanDerWaalsContact O-CB 3.3Å; S377-S381 WeakPolarHBondContact O-CB 3.42Å; S377-S381 PolarHBondContact O-N 2.82Å; S377-S381 PolarHBondContact O-OG 2.81Å
378	D	98.6	Very high	97.6	Very high	98 Å²	98	55.9 Å²	55.9	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-51.2	178.7	-68.2	-19.2	0	0	0	110.2	H374 I375 I376 L380 S381 E382	H374-D378 PolarHBondContact O-N 3Å; I375-D378 PolarHBondContact O-N 3.48Å; I376-D378 VanDerWaalsContact C-N 3.27Å; I376-D378 PolarHBondContact O-N 2.89Å; D378-L380 VanDerWaalsContact C-N 3.34Å; D378-L380 PolarHBondContact O-N 2.77Å; D378-S381 WeakPolarHBondContact O-CB 3.3Å; D378-S381 PolarHBondContact O-N 2.94Å; D378-E382 WeakPolarHBondContact O-CG 3.44Å; D378-E382 PolarHBondContact O-N 3.37Å
379	I	98.7	Very high	97.5	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-47.5	177.2	-64.9	162.5	0	0	0	111.2	P327 L328 L332 I375 I376 S381 E382 V383	P327-I379 HydrophobicContact CB-CG2 3.83Å; L328-I379 HydrophobicContact CD2-CB 4.48Å; L328-I379 HydrophobicContact CD2-CD1 4.35Å; L328-I379 HydrophobicContact CD2-CG2 4.02Å; L332-I379 HydrophobicContact CG-CD1 4.44Å; I375-I379 HydrophobicContact CG2-CD1 3.79Å; I375-I379 WeakPolarHBondContact O-CD1 3.32Å; I375-I379 VanDerWaalsContact O-CG1 3.27Å; I375-I379 WeakPolarHBondContact O-CG1 3.26Å; I375-I379 PolarHBondContact O-N 3.22Å; I376-I379 PolarHBondContact O-N 2.57Å; I379-S381 VanDerWaalsContact C-N 3.31Å; I379-S381 PolarHBondContact O-N 3.29Å; I379-E382 WeakPolarHBondContact O-CB 3.36Å; I379-E382 PolarHBondContact O-N 3.29Å; I379-V383 WeakPolarHBondContact O-CG2 3.4Å; I379-V383 PolarHBondContact O-N 2.69Å
380	L	98.7	Very high	97.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-34.5	179.2	-66.3	177.5	0	0	0	112.1	L320 I376 D378 V383 V384 V457 F461 L462	L320-L380 HydrophobicContact CD1-CD2 3.93Å; L320-L380 HydrophobicContact CD2-CD2 3.76Å; I376-L380 HydrophobicContact CG2-CD1 3.61Å; I376-L380 HydrophobicContact CG2-CG 3.98Å; I376-L380 WeakPolarHBondContact O-CB 3.35Å; I376-L380 WeakPolarHBondContact O-CG 3.28Å; I376-L380 PolarHBondContact O-N 3.24Å; D378-L380 VanDerWaalsContact C-N 3.34Å; D378-L380 PolarHBondContact O-N 2.77Å; L380-V383 PolarHBondContact O-N 3.04Å; L380-V384 WeakPolarHBondContact O-CG2 3.38Å; L380-V384 PolarHBondContact O-N 2.82Å; L380-V457 HydrophobicContact CB-CG1 4.18Å; L380-V457 HydrophobicContact CD2-CG1 4.1Å; L380-F461 HydrophobicContact CD1-CB 3.69Å; L380-F461 HydrophobicContact CD1-CG 4.46Å; L380-L462 HydrophobicContact CB-CD2 3.74Å; L380-L462 HydrophobicContact CB-CG 4.08Å; L380-L462 HydrophobicContact CD1-CD2 4.44Å
381	S	98.7	Very high	97.2	Very high	50 Å²	50	57.4 Å²	57.4	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-36.6	175.5	-59.9	0	0	0	0	111.8	S377 D378 I379 V384 R385	S377-S381 VanDerWaalsContact O-CB 3.3Å; S377-S381 WeakPolarHBondContact O-CB 3.42Å; S377-S381 PolarHBondContact O-N 2.82Å; S377-S381 PolarHBondContact O-OG 2.81Å; D378-S381 WeakPolarHBondContact O-CB 3.3Å; D378-S381 PolarHBondContact O-N 2.94Å; I379-S381 VanDerWaalsContact C-N 3.31Å; I379-S381 PolarHBondContact O-N 3.29Å; S381-V384 PolarHBondContact O-N 3.14Å; S381-R385 WeakPolarHBondContact O-CB 3.18Å; S381-R385 PolarHBondContact O-N 3.39Å
382	E	98.4	Very high	97	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-44.1	172	-66.1	-176.4	162.4	0	0	111.2	D378 I379 V384 R385 D386	D378-E382 WeakPolarHBondContact O-CG 3.44Å; D378-E382 PolarHBondContact O-N 3.37Å; I379-E382 WeakPolarHBondContact O-CB 3.36Å; I379-E382 PolarHBondContact O-N 3.29Å; E382-V384 VanDerWaalsContact C-N 3.33Å; E382-V384 PolarHBondContact O-N 2.87Å; E382-R385 PolarHBondContact O-N 2.64Å; E382-R385 VanDerWaalsContact O-N 3.12Å; E382-D386 WeakPolarHBondContact O-CB 3.45Å; E382-D386 PolarHBondContact O-N 3.04Å
383	V	98.3	Very high	96.9	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-40.9	175.3	170.6	0	0	0	0	112	L320 P327 I379 L380 R385 G387 F388 V457	L320-V383 HydrophobicContact CD2-CB 4.49Å; L320-V383 HydrophobicContact CD2-CG1 4.11Å; L320-V383 HydrophobicContact CD2-CG2 4.04Å; P327-V383 HydrophobicContact CB-CG2 3.92Å; P327-V383 HydrophobicContact CG-CG2 3.73Å; I379-V383 WeakPolarHBondContact O-CG2 3.4Å; I379-V383 PolarHBondContact O-N 2.69Å; L380-V383 PolarHBondContact O-N 3.04Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-G387 VanDerWaalsContact O-CA 3.23Å; V383-G387 WeakPolarHBondContact O-CA 3.37Å; V383-G387 PolarHBondContact O-N 2.94Å; V383-F388 HydrophobicContact CG1-CD1 4.32Å; V383-F388 HydrophobicContact CG1-CD2 4.35Å; V383-F388 HydrophobicContact CG1-CE1 3.68Å; V383-F388 HydrophobicContact CG1-CE2 3.71Å; V383-F388 HydrophobicContact CG1-CZ 3.34Å; V383-V457 HydrophobicContact CG1-CG1 4.46Å; V383-V457 HydrophobicContact CG1-CG2 4.16Å
384	V	98.5	Very high	96.7	Very high	39 Å²	39	55.6 Å²	55.6	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38.2	175.6	171.1	0	0	0	0	111.7	L380 S381 E382 V457 Q458 L462	L380-V384 WeakPolarHBondContact O-CG2 3.38Å; L380-V384 PolarHBondContact O-N 2.82Å; S381-V384 PolarHBondContact O-N 3.14Å; E382-V384 VanDerWaalsContact C-N 3.33Å; E382-V384 PolarHBondContact O-N 2.87Å; V384-V457 HydrophobicContact CG2-CB 3.89Å; V384-V457 HydrophobicContact CG2-CG1 3.59Å; V384-Q458 HydrophobicContact CG2-CB 4.18Å; V384-L462 HydrophobicContact CB-CD1 4.46Å; V384-L462 HydrophobicContact CG2-CD1 3.77Å
385	R	97.9	Very high	96.5	Very high	162 Å²	162	49.6 Å²	49.6	61%	0.611	26%	0.264	S	S	*	.	H	α-helix	trans	-72.2	-46.2	-179	-175.5	-173.2	65.6	-138.6	-5.1	112.5	S381 E382 V383	S381-R385 WeakPolarHBondContact O-CB 3.18Å; S381-R385 PolarHBondContact O-N 3.39Å; E382-R385 PolarHBondContact O-N 2.64Å; E382-R385 VanDerWaalsContact O-N 3.12Å; V383-R385 VanDerWaalsContact C-N 3.33Å
386	D	96.9	Very high	96.2	Very high	111 Å²	111	48.2 Å²	48.2	59%	0.594	26%	0.257	S	S	*	.	H	α-helix	trans	-100.3	-24.4	-167.1	-57.7	-23.3	0	0	0	112.1	E382	E382-D386 WeakPolarHBondContact O-CB 3.45Å; E382-D386 PolarHBondContact O-N 3.04Å
387	G	96.5	Very high	96	Very high	15 Å²	15	48.4 Å²	48.4	16%	0.155	26%	0.258	C	S	.	.			trans	80.5	176.5	-177.1	0	0	0	0	0	114.3	V383	V383-G387 VanDerWaalsContact O-CA 3.23Å; V383-G387 WeakPolarHBondContact O-CA 3.37Å; V383-G387 PolarHBondContact O-N 2.94Å
388	F	95.7	Very high	95.7	Very high	26 Å²	26	47 Å²	47	11%	0.114	25%	0.247	C	C	.	.			trans	-88.6	140.7	173	-63.9	-77.5	0	0	0	110.6	L319 L320 V383 V390 V393 L453 V457	L319-F388 HydrophobicContact CB-CD1 3.71Å; L319-F388 HydrophobicContact CB-CE1 3.58Å; L319-F388 HydrophobicContact CB-CG 4.33Å; L319-F388 HydrophobicContact CB-CZ 4.11Å; L319-F388 HydrophobicContact CD1-CB 4.38Å; L319-F388 HydrophobicContact CD1-CD1 4.24Å; L319-F388 HydrophobicContact CD1-CD2 4.16Å; L319-F388 HydrophobicContact CD1-CE2 4.5Å; L319-F388 HydrophobicContact CD1-CG 4.01Å; L319-F388 HydrophobicContact CG-CD1 4.42Å; L320-F388 HydrophobicContact CD2-CE1 3.88Å; L320-F388 HydrophobicContact CD2-CZ 3.78Å; L320-F388 HydrophobicContact CG-CE1 4.18Å; L320-F388 HydrophobicContact CG-CZ 3.94Å; V383-F388 HydrophobicContact CG1-CD1 4.32Å; V383-F388 HydrophobicContact CG1-CD2 4.35Å; V383-F388 HydrophobicContact CG1-CE1 3.68Å; V383-F388 HydrophobicContact CG1-CE2 3.71Å; V383-F388 HydrophobicContact CG1-CZ 3.34Å; F388-V390 PolarHBondContact O-N 2.8Å; F388-V393 HydrophobicContact CB-CG2 4Å; F388-L453 HydrophobicContact CD2-CB 3.78Å; F388-L453 HydrophobicContact CD2-CD1 3.94Å; F388-L453 HydrophobicContact CE2-CB 3.89Å; F388-V457 HydrophobicContact CE2-CG2 4.11Å; F388-V457 HydrophobicContact CZ-CG2 4.09Å
389	P	93.1	Very high	95.3	Very high	69 Å²	69	44.6 Å²	44.6	45%	0.448	23%	0.233	S	C	.	.			trans	-56.8	137.4	170.8	-23.2	33.8	0	0	0	111.4	E391 S392 V393	P389-E391 PolarHBondContact O-N 3.15Å; P389-S392 WeakPolarHBondContact O-CB 3.06Å; P389-S392 PolarHBondContact O-N 3.07Å; P389-S392 VanDerWaalsContact O-N 3.11Å; P389-V393 PolarHBondContact O-N 3.45Å
390	V	93.8	Very high	94.9	Very high	82 Å²	82	45.1 Å²	45.1	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-41.2	-178.2	170.3	0	0	0	0	110.6	F388 S392 V393 E394 W446	F388-V390 PolarHBondContact O-N 2.8Å; V390-S392 VanDerWaalsContact C-N 3.32Å; V390-S392 PolarHBondContact O-N 3.47Å; V390-V393 PolarHBondContact O-N 2.78Å; V390-E394 HydrophobicContact CG1-CG 4.45Å; V390-E394 WeakPolarHBondContact O-CG 3.18Å; V390-E394 PolarHBondContact O-N 3.13Å; V390-W446 HydrophobicContact CG1-CH2 4.13Å
391	E	92.1	Very high	94.4	Very high	97 Å²	97	48.5 Å²	48.5	45%	0.453	25%	0.25	S	C	.	.	H	α-helix	trans	-62.7	-37.5	180	-62.1	77.2	-169.5	0	0	111.8	P389 E394 A395 Q604	P389-E391 PolarHBondContact O-N 3.15Å; E391-E394 PolarHBondContact O-N 3.27Å; E391-A395 WeakPolarHBondContact O-CB 3.38Å; E391-A395 PolarHBondContact O-N 3.37Å; E391-Q604 HydrophobicContact CB-CG 4.43Å
392	S	93	Very high	94	Very high	19 Å²	19	46.1 Å²	46.1	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-38.6	176.2	-62.5	0	0	0	0	112	L319 P389 V390 T396	L319-S392 WeakPolarHBondContact CD2-O 3.37Å; P389-S392 WeakPolarHBondContact O-CB 3.06Å; P389-S392 PolarHBondContact O-N 3.07Å; P389-S392 VanDerWaalsContact O-N 3.11Å; V390-S392 VanDerWaalsContact C-N 3.32Å; V390-S392 PolarHBondContact O-N 3.47Å; S392-T396 WeakPolarHBondContact O-CB 3.46Å; S392-T396 PolarHBondContact O-N 3.31Å; S392-T396 PolarHBondContact O-OG1 3.14Å
393	V	95.2	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-47.4	174.2	-177.9	0	0	0	0	110.1	L319 F388 P389 V390 T396 L397 F442 W446 L453	L319-V393 HydrophobicContact CD1-CG2 3.95Å; L319-V393 HydrophobicContact CD2-CG2 4.37Å; F388-V393 HydrophobicContact CB-CG2 4Å; P389-V393 PolarHBondContact O-N 3.45Å; V390-V393 PolarHBondContact O-N 2.78Å; V393-T396 PolarHBondContact O-N 3.14Å; V393-L397 HydrophobicContact CG1-CD1 4.46Å; V393-L397 WeakPolarHBondContact O-CG 3.38Å; V393-L397 PolarHBondContact O-N 3.44Å; V393-F442 HydrophobicContact CG1-CE1 4.1Å; V393-F442 HydrophobicContact CG1-CZ 4.29Å; V393-W446 HydrophobicContact CB-CH2 3.82Å; V393-W446 HydrophobicContact CB-CZ2 4Å; V393-W446 HydrophobicContact CB-CZ3 4.43Å; V393-W446 HydrophobicContact CG1-CD2 4.37Å; V393-W446 HydrophobicContact CG1-CE3 4.22Å; V393-W446 HydrophobicContact CG1-CH2 3.72Å; V393-W446 HydrophobicContact CG1-CZ2 3.92Å; V393-W446 HydrophobicContact CG1-CZ3 3.9Å; V393-W446 HydrophobicContact CG2-CH2 4.3Å; V393-W446 HydrophobicContact CG2-CZ2 3.97Å; V393-L453 HydrophobicContact CG1-CD1 4.39Å; V393-L453 HydrophobicContact CG2-CD1 3.81Å
394	E	94.1	Very high	92.8	Very high	56 Å²	56	48.1 Å²	48.1	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-64.4	-39.8	178	-71.6	-63.3	158.5	0	0	112.7	V390 E391 L397 H398 R443 L608	V390-E394 HydrophobicContact CG1-CG 4.45Å; V390-E394 WeakPolarHBondContact O-CG 3.18Å; V390-E394 PolarHBondContact O-N 3.13Å; E391-E394 PolarHBondContact O-N 3.27Å; E394-L397 PolarHBondContact O-N 2.99Å; E394-H398 WeakPolarHBondContact O-CB 3.25Å; E394-H398 PolarHBondContact O-N 3.11Å; E394-R443 VanDerWaalsContact CD-NH1 3.33Å; E394-R443 IonicContact OE1-CZ 3.3Å; E394-R443 IonicContact OE1-NH1 3.23Å; E394-R443 PolarHBondContact OE1-NH1 2.96Å; E394-R443 IonicContact OE1-NH2 3.39Å; E394-R443 IonicContact OE2-CZ 2.69Å; E394-R443 IonicContact OE2-NH1 2.72Å; E394-R443 PolarHBondContact OE2-NH1 2.88Å; E394-R443 IonicContact OE2-NH2 3.44Å; E394-R443 PolarHBondContact OE2-NH2 3.02Å; E394-L608 HydrophobicContact CB-CD1 4.28Å
395	A	92.6	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.4	0	0	0	0	0	111.4	E391 L397 H398 Q399 E607 L608	E391-A395 WeakPolarHBondContact O-CB 3.38Å; E391-A395 PolarHBondContact O-N 3.37Å; A395-L397 PolarHBondContact O-N 3.35Å; A395-H398 WeakPolarHBondContact O-CB 3.47Å; A395-H398 PolarHBondContact O-N 2.68Å; A395-H398 VanDerWaalsContact O-N 3.13Å; A395-Q399 WeakPolarHBondContact O-CG 3.1Å; A395-Q399 PolarHBondContact O-N 3.39Å; A395-E607 HydrophobicContact CB-CB 3.86Å; A395-L608 HydrophobicContact CB-CB 4.5Å; A395-L608 HydrophobicContact CB-CD1 4.45Å
396	T	93.6	Very high	91.6	Very high	16 Å²	16	45.4 Å²	45.4	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-46.2	175.2	-60	0	0	0	0	111.3	I315 N318 L319 S392 V393 H398 Q399 Y400	I315-T396 HydrophobicContact CG2-CG2 4.27Å; N318-T396 HydrophobicContact CB-CG2 4.18Å; L319-T396 VanDerWaalsContact CD2-OG1 3.3Å; L319-T396 WeakPolarHBondContact CD2-OG1 3.46Å; S392-T396 WeakPolarHBondContact O-CB 3.46Å; S392-T396 PolarHBondContact O-N 3.31Å; S392-T396 PolarHBondContact O-OG1 3.14Å; V393-T396 PolarHBondContact O-N 3.14Å; T396-H398 VanDerWaalsContact C-N 3.3Å; T396-H398 PolarHBondContact O-N 2.79Å; T396-Q399 PolarHBondContact O-N 3Å; T396-Y400 HydrophobicContact CG2-CD2 4.31Å; T396-Y400 HydrophobicContact CG2-CE2 4.06Å; T396-Y400 VanDerWaalsContact O-CD2 3.32Å; T396-Y400 WeakPolarHBondContact O-CD2 3.29Å; T396-Y400 PolarHBondContact O-N 3.3Å
397	L	93.2	Very high	90.9	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-33.7	176.8	-66.5	179.2	0	0	0	112.6	I315 V393 E394 A395 Y400 E401 V439 F442 R443	I315-L397 HydrophobicContact CD1-CD2 3.89Å; V393-L397 HydrophobicContact CG1-CD1 4.46Å; V393-L397 WeakPolarHBondContact O-CG 3.38Å; V393-L397 PolarHBondContact O-N 3.44Å; E394-L397 PolarHBondContact O-N 2.99Å; A395-L397 PolarHBondContact O-N 3.35Å; L397-Y400 PolarHBondContact O-N 2.89Å; L397-E401 PolarHBondContact O-N 3.07Å; L397-E401 VanDerWaalsContact O-N 3.14Å; L397-V439 HydrophobicContact CD2-CG1 4.37Å; L397-F442 HydrophobicContact CD1-CD1 4.19Å; L397-F442 HydrophobicContact CD1-CE1 4.06Å; L397-F442 HydrophobicContact CD2-CD1 3.91Å; L397-F442 HydrophobicContact CD2-CE1 4.1Å; L397-F442 HydrophobicContact CG-CE1 4.45Å; L397-R443 HydrophobicContact CD1-CG 4.07Å
398	H	91.4	Very high	90.6	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.069	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-40.6	174	-178.8	53.8	0	0	0	111.9	E394 A395 T396 Y400 E401 L402 E607 L608	E394-H398 WeakPolarHBondContact O-CB 3.25Å; E394-H398 PolarHBondContact O-N 3.11Å; A395-H398 WeakPolarHBondContact O-CB 3.47Å; A395-H398 PolarHBondContact O-N 2.68Å; A395-H398 VanDerWaalsContact O-N 3.13Å; T396-H398 VanDerWaalsContact C-N 3.3Å; T396-H398 PolarHBondContact O-N 2.79Å; H398-Y400 VanDerWaalsContact C-N 3.33Å; H398-Y400 PolarHBondContact O-N 2.94Å; H398-E401 IonicContact ND1-OE2 3.62Å; H398-E401 WeakPolarHBondContact O-CB 3.16Å; H398-E401 PolarHBondContact O-N 3.48Å; H398-E401 VanDerWaalsContact O-N 3.09Å; H398-L402 PolarHBondContact O-N 3.47Å; H398-E607 PolarHBondContact CD2-O 3.09Å; H398-L608 PolarHBondContact CD2-O 3.32Å
399	Q	91.4	Very high	90.4	Very high	46 Å²	46	42.4 Å²	42.4	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-40.8	175.6	-64.1	-53.4	-51.4	0	0	111.7	A395 T396 E401 L402 E403 E607 T610	A395-Q399 WeakPolarHBondContact O-CG 3.1Å; A395-Q399 PolarHBondContact O-N 3.39Å; T396-Q399 PolarHBondContact O-N 3Å; Q399-E401 VanDerWaalsContact C-N 3.31Å; Q399-E401 PolarHBondContact O-N 2.85Å; Q399-L402 PolarHBondContact O-N 2.83Å; Q399-E403 WeakPolarHBondContact O-CG 3.27Å; Q399-E403 PolarHBondContact O-N 2.65Å; Q399-E607 PolarHBondContact NE2-O 3.45Å; Q399-T610 PolarHBondContact NE2-O 3.3Å
400	Y	89.3	Confident	90.4	Very high	28 Å²	28	42.9 Å²	42.9	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-40.9	171.5	-83.3	-76.8	0	0	0	112.6	F311 I315 T396 L397 H398 L402 E403 I404 I435	F311-Y400 HydrophobicContact CE2-CD1 4.37Å; F311-Y400 HydrophobicContact CE2-CE1 4.21Å; I315-Y400 HydrophobicContact CG1-CE2 3.99Å; T396-Y400 HydrophobicContact CG2-CD2 4.31Å; T396-Y400 HydrophobicContact CG2-CE2 4.06Å; T396-Y400 VanDerWaalsContact O-CD2 3.32Å; T396-Y400 WeakPolarHBondContact O-CD2 3.29Å; T396-Y400 PolarHBondContact O-N 3.3Å; L397-Y400 PolarHBondContact O-N 2.89Å; H398-Y400 VanDerWaalsContact C-N 3.33Å; H398-Y400 PolarHBondContact O-N 2.94Å; Y400-L402 VanDerWaalsContact C-N 3.35Å; Y400-E403 PolarHBondContact O-N 2.58Å; Y400-I404 WeakPolarHBondContact O-CD1 3.49Å; Y400-I404 VanDerWaalsContact O-CG1 3.23Å; Y400-I404 WeakPolarHBondContact O-CG1 3.37Å; Y400-I404 PolarHBondContact O-N 3.34Å; Y400-I404 VanDerWaalsContact O-N 3.1Å; Y400-I435 HydrophobicContact CD1-CG2 4.25Å
401	E	89	Confident	90.4	Very high	73 Å²	73	40 Å²	40	34%	0.341	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-41.3	176.3	-172.1	-174.5	179.3	0	0	112	L397 H398 Q399 R405	L397-E401 PolarHBondContact O-N 3.07Å; L397-E401 VanDerWaalsContact O-N 3.14Å; H398-E401 IonicContact ND1-OE2 3.62Å; H398-E401 WeakPolarHBondContact O-CB 3.16Å; H398-E401 PolarHBondContact O-N 3.48Å; H398-E401 VanDerWaalsContact O-N 3.09Å; Q399-E401 VanDerWaalsContact C-N 3.31Å; Q399-E401 PolarHBondContact O-N 2.85Å; E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 2.96Å; E401-R405 IonicContact OE1-CZ 2.65Å; E401-R405 IonicContact OE1-NE 3.34Å; E401-R405 PolarHBondContact OE1-NE 2.92Å; E401-R405 IonicContact OE1-NH2 3.3Å; E401-R405 PolarHBondContact OE1-NH2 3.41Å
402	L	90.9	Very high	90.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-44.8	176.5	-70	176.7	0	0	0	111.7	H398 Q399 Y400 I404 R405 H406 L562 Y643 L645	H398-L402 PolarHBondContact O-N 3.47Å; Q399-L402 PolarHBondContact O-N 2.83Å; Y400-L402 VanDerWaalsContact C-N 3.35Å; L402-I404 VanDerWaalsContact C-N 3.35Å; L402-I404 PolarHBondContact O-N 3.48Å; L402-R405 PolarHBondContact O-N 3.3Å; L402-R405 VanDerWaalsContact O-N 3.13Å; L402-H406 WeakPolarHBondContact O-CB 3.22Å; L402-H406 PolarHBondContact O-N 2.82Å; L402-L562 HydrophobicContact CD2-CD2 3.68Å; L402-Y643 HydrophobicContact CB-CE2 4.39Å; L402-Y643 HydrophobicContact CD1-CE2 4.49Å; L402-Y643 HydrophobicContact CD2-CE2 4.41Å; L402-L645 HydrophobicContact CD2-CD2 3.99Å; L402-L645 HydrophobicContact CD2-CG 3.9Å
403	E	86.3	Confident	90.8	Very high	126 Å²	126	34.6 Å²	34.6	59%	0.589	16%	0.163	S	C	*	.	H	α-helix	trans	-59.3	-43.4	178.1	-74.5	178.9	179.2	0	0	112.2	Q399 Y400 R405 H406	Q399-E403 WeakPolarHBondContact O-CG 3.27Å; Q399-E403 PolarHBondContact O-N 2.65Å; Y400-E403 PolarHBondContact O-N 2.58Å; E403-R405 VanDerWaalsContact C-N 3.25Å; E403-R405 PolarHBondContact O-N 3.27Å; E403-H406 PolarHBondContact O-N 2.93Å
404	I	84.2	Confident	90.9	Very high	26 Å²	26	37.5 Å²	37.5	13%	0.133	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-37.6	176.8	-67.2	162.9	0	0	0	111	E27 L28 Y400 L402 I435	E27-I404 HydrophobicContact CB-CG2 3.8Å; E27-I404 HydrophobicContact CG-CG2 4.07Å; L28-I404 HydrophobicContact CD2-CG2 4.39Å; Y400-I404 WeakPolarHBondContact O-CD1 3.49Å; Y400-I404 VanDerWaalsContact O-CG1 3.23Å; Y400-I404 WeakPolarHBondContact O-CG1 3.37Å; Y400-I404 PolarHBondContact O-N 3.34Å; Y400-I404 VanDerWaalsContact O-N 3.1Å; L402-I404 VanDerWaalsContact C-N 3.35Å; L402-I404 PolarHBondContact O-N 3.48Å; I404-I435 HydrophobicContact CD1-CB 3.8Å; I404-I435 HydrophobicContact CD1-CG2 3.7Å; I404-I435 HydrophobicContact CG1-CB 4.13Å; I404-I435 HydrophobicContact CG1-CD1 4.14Å; I404-I435 HydrophobicContact CG1-CG2 4.2Å
405	R	85.3	Confident	90.9	Very high	77 Å²	77	35.8 Å²	35.8	29%	0.291	17%	0.171	S	C	.	.	H	α-helix	trans	-82.3	-22.1	-177.8	-68.5	178.3	-174	-126.2	9.9	113.7	E401 L402 E403 E407 N560 L562 L645	E401-R405 WeakPolarHBondContact O-CG 3.43Å; E401-R405 PolarHBondContact O-N 2.96Å; E401-R405 IonicContact OE1-CZ 2.65Å; E401-R405 IonicContact OE1-NE 3.34Å; E401-R405 PolarHBondContact OE1-NE 2.92Å; E401-R405 IonicContact OE1-NH2 3.3Å; E401-R405 PolarHBondContact OE1-NH2 3.41Å; L402-R405 PolarHBondContact O-N 3.3Å; L402-R405 VanDerWaalsContact O-N 3.13Å; E403-R405 VanDerWaalsContact C-N 3.25Å; E403-R405 PolarHBondContact O-N 3.27Å; R405-E407 PolarHBondContact O-N 3.44Å; R405-N560 WeakPolarHBondContact CA-ND2 3.41Å; R405-N560 PolarHBondContact O-ND2 3.03Å; R405-L562 HydrophobicContact CB-CD1 4.02Å; R405-L562 HydrophobicContact CB-CD2 4.39Å; R405-L562 HydrophobicContact CB-CG 4.19Å; R405-L645 VanDerWaalsContact CD-CD2 3.4Å
406	H	85.7	Confident	91.1	Very high	67 Å²	67	36 Å²	36	31%	0.31	17%	0.172	S	C	.	.			trans	-72.6	123.1	-173.6	-173.7	73.8	0	0	0	112.4	L402 E403 L562 Y564	L402-H406 WeakPolarHBondContact O-CB 3.22Å; L402-H406 PolarHBondContact O-N 2.82Å; E403-H406 PolarHBondContact O-N 2.93Å; H406-L562 HydrophobicContact CB-CD1 4.4Å; H406-Y564 PolarHBondContact ND1-OH 2.89Å
407	E	82.6	Confident	91.3	Very high	35 Å²	35	38 Å²	38	16%	0.164	18%	0.182	C	C	.	.			trans	-107.8	95.7	-176.9	-59.5	-162.8	163.8	0	0	112.4	R29 R49 R405 S926	R29-E407 IonicContact CZ-OE1 3.78Å; R29-E407 VanDerWaalsContact CZ-OE1 3.32Å; R29-E407 IonicContact NE-OE1 2.72Å; R29-E407 PolarHBondContact NE-OE1 2.97Å; R29-E407 IonicContact NH2-OE1 2.71Å; R29-E407 PolarHBondContact NH2-OE1 3.1Å; R29-E407 IonicContact NH2-OE2 2.78Å; R29-E407 PolarHBondContact NH2-OE2 3Å; R49-E407 IonicContact CZ-OE1 2.79Å; R49-E407 IonicContact NH2-OE1 2.74Å; R49-E407 PolarHBondContact NH2-OE1 2.8Å; R49-E407 IonicContact NH2-OE2 3.36Å; R49-E407 PolarHBondContact NH2-OE2 3.46Å; R405-E407 PolarHBondContact O-N 3.44Å; E407-S926 VanDerWaalsContact O-CB 3.28Å; E407-S926 WeakPolarHBondContact O-CB 3.41Å
408	S	89.6	Confident	91.3	Very high	31 Å²	31	43.3 Å²	43.3	22%	0.217	21%	0.21	C	C	.	.			trans	-72.5	154.9	174.4	78	0	0	0	0	112.7	R410 F411 N414	S408-R410 PolarHBondContact O-N 3.43Å; S408-R410 PolarHBondContact OG-N 3.49Å; S408-F411 PolarHBondContact O-N 3.37Å; S408-F411 PolarHBondContact OG-N 3.4Å; S408-N414 PolarHBondContact OG-ND2 2.96Å; S408-N414 VanDerWaalsContact OG-ND2 3.14Å
409	A	91.3	Very high	91.6	Very high	22 Å²	22	42.7 Å²	42.7	18%	0.182	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	173.1	0	0	0	0	0	114.1	N53 P924	N53-A409 PolarHBondContact ND2-O 3.36Å; A409-P924 HydrophobicContact CB-CB 4.28Å; A409-P924 VanDerWaalsContact CB-O 3.22Å; A409-P924 WeakPolarHBondContact CB-O 3.46Å
410	R	94.2	Very high	91.9	Very high	80 Å²	80	40.6 Å²	40.6	30%	0.302	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	29.8	-176.1	-51.5	-176.9	93.8	-178.3	8.9	111.8	S408 G412 L413 N414 Y923	S408-R410 PolarHBondContact O-N 3.43Å; S408-R410 PolarHBondContact OG-N 3.49Å; R410-G412 VanDerWaalsContact C-N 3.34Å; R410-G412 PolarHBondContact O-N 2.72Å; R410-L413 HydrophobicContact CB-CB 4.39Å; R410-L413 WeakPolarHBondContact O-CB 3.18Å; R410-L413 PolarHBondContact O-N 3.33Å; R410-N414 PolarHBondContact O-N 2.97Å; R410-Y923 WeakPolarHBondContact CD-OH 3.14Å; R410-Y923 WeakPolarHBondContact CG-OH 3.3Å; R410-Y923 PolarHBondContact NE-OH 3.01Å
411	F	93.8	Very high	92.2	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.088	20%	0.198	C	C	.	.	H	α-helix	trans	-53.2	-47.7	-169.3	-171.1	-89.7	0	0	0	113.5	L28 L30 Y235 S408 L413 N414 L415	L28-F411 HydrophobicContact CB-CZ 4.32Å; L28-F411 HydrophobicContact CD2-CZ 4.14Å; L30-F411 HydrophobicContact CD2-CE1 4.47Å; Y235-F411 AromaticContact CE2-CD1 3.59Å; Y235-F411 HydrophobicContact CE2-CD1 3.59Å; Y235-F411 AromaticContact CE2-CE1 3.99Å; Y235-F411 HydrophobicContact CE2-CE1 3.99Å; Y235-F411 AromaticContact CZ-CD1 3.62Å; Y235-F411 WeakPolarHBondContact OH-CD1 3.3Å; S408-F411 PolarHBondContact O-N 3.37Å; S408-F411 PolarHBondContact OG-N 3.4Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 2.9Å; F411-N414 PolarHBondContact O-N 3.44Å; F411-L415 HydrophobicContact CD1-CD1 3.7Å; F411-L415 HydrophobicContact CD1-CG 4.04Å; F411-L415 HydrophobicContact CE1-CD1 3.24Å; F411-L415 HydrophobicContact CE1-CD2 4.41Å; F411-L415 HydrophobicContact CE1-CG 3.79Å; F411-L415 HydrophobicContact CZ-CD1 3.99Å; F411-L415 HydrophobicContact CZ-CD2 4.41Å; F411-L415 HydrophobicContact CZ-CG 4.23Å; F411-L415 WeakPolarHBondContact O-CG 3.38Å; F411-L415 PolarHBondContact O-N 3.42Å
412	G	96.2	Very high	92.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-37.1	178.1	0	0	0	0	0	114.9	Y233 Y235 R410 I416	Y233-G412 PolarHBondContact OH-O 3.44Å; Y235-G412 VanDerWaalsContact CE1-CA 3.43Å; R410-G412 VanDerWaalsContact C-N 3.34Å; R410-G412 PolarHBondContact O-N 2.72Å; G412-I416 PolarHBondContact O-N 3Å
413	L	97.6	Very high	92.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-72.2	-47.9	175.8	176.2	63	0	0	0	111	T55 F102 P115 R410 F411 L415 I416 L417	T55-L413 PolarHBondContact OG1-N 3.03Å; F102-L413 HydrophobicContact CB-CD2 3.95Å; F102-L413 HydrophobicContact CD1-CD1 3.48Å; F102-L413 VanDerWaalsContact CD1-CD1 3.48Å; F102-L413 HydrophobicContact CD1-CD2 3.42Å; F102-L413 VanDerWaalsContact CD1-CD2 3.42Å; F102-L413 HydrophobicContact CD1-CG 4.08Å; F102-L413 HydrophobicContact CD2-CD2 3.98Å; F102-L413 HydrophobicContact CE1-CD1 3.41Å; F102-L413 VanDerWaalsContact CE1-CD1 3.41Å; F102-L413 HydrophobicContact CE1-CD2 3.7Å; F102-L413 HydrophobicContact CE1-CG 4.19Å; F102-L413 HydrophobicContact CE2-CD2 4.21Å; F102-L413 HydrophobicContact CG-CD1 4.42Å; F102-L413 HydrophobicContact CG-CD2 3.52Å; F102-L413 HydrophobicContact CZ-CD1 4.33Å; F102-L413 HydrophobicContact CZ-CD2 4.06Å; P115-L413 HydrophobicContact CB-CD1 4.21Å; R410-L413 HydrophobicContact CB-CB 4.39Å; R410-L413 WeakPolarHBondContact O-CB 3.18Å; R410-L413 PolarHBondContact O-N 3.33Å; F411-L413 VanDerWaalsContact C-N 3.31Å; F411-L413 PolarHBondContact O-N 2.9Å; L413-L415 VanDerWaalsContact C-N 3.25Å; L413-L415 PolarHBondContact O-N 2.87Å; L413-I416 HydrophobicContact CD1-CG2 4.36Å; L413-I416 VanDerWaalsContact O-CG2 3.23Å; L413-I416 WeakPolarHBondContact O-CG2 3.46Å; L413-I416 PolarHBondContact O-N 3.39Å; L413-L417 HydrophobicContact CD1-CD1 4.1Å; L413-L417 HydrophobicContact CD1-CG 4.15Å; L413-L417 HydrophobicContact CG-CD1 3.96Å; L413-L417 HydrophobicContact CG-CG 4.42Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.33Å; L413-L417 PolarHBondContact O-N 3.19Å
414	N	95.9	Very high	93.3	Very high	61 Å²	61	32 Å²	32	33%	0.326	16%	0.161	S	C	.	.	H	α-helix	trans	-59.8	-39	179.2	-69.2	-0.6	0	0	0	111.1	S408 R410 F411 L417 N418	S408-N414 PolarHBondContact OG-ND2 2.96Å; S408-N414 VanDerWaalsContact OG-ND2 3.14Å; R410-N414 PolarHBondContact O-N 2.97Å; F411-N414 PolarHBondContact O-N 3.44Å; N414-L417 PolarHBondContact O-N 2.81Å; N414-N418 WeakPolarHBondContact O-CB 3.41Å; N414-N418 PolarHBondContact O-N 2.98Å; N414-N418 PolarHBondContact O-ND2 2.87Å
415	L	95.6	Very high	93.8	Very high	21 Å²	21	32 Å²	32	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-50.7	175	-80.9	-175.2	0	0	0	112.6	L28 L30 L47 Y235 F411 L413 L417 N418 L419	L28-L415 HydrophobicContact CD1-CD2 4.29Å; L30-L415 HydrophobicContact CD2-CD1 4Å; L47-L415 HydrophobicContact CD1-CD1 3.82Å; Y235-L415 HydrophobicContact CD2-CD1 4.33Å; Y235-L415 HydrophobicContact CE2-CD1 4.28Å; F411-L415 HydrophobicContact CD1-CD1 3.7Å; F411-L415 HydrophobicContact CD1-CG 4.04Å; F411-L415 HydrophobicContact CE1-CD1 3.24Å; F411-L415 HydrophobicContact CE1-CD2 4.41Å; F411-L415 HydrophobicContact CE1-CG 3.79Å; F411-L415 HydrophobicContact CZ-CD1 3.99Å; F411-L415 HydrophobicContact CZ-CD2 4.41Å; F411-L415 HydrophobicContact CZ-CG 4.23Å; F411-L415 WeakPolarHBondContact O-CG 3.38Å; F411-L415 PolarHBondContact O-N 3.42Å; L413-L415 VanDerWaalsContact C-N 3.25Å; L413-L415 PolarHBondContact O-N 2.87Å; L415-L417 VanDerWaalsContact C-N 3.33Å; L415-L417 PolarHBondContact O-N 2.99Å; L415-N418 PolarHBondContact O-N 3.1Å; L415-L419 HydrophobicContact CB-CD1 4.46Å; L415-L419 WeakPolarHBondContact O-CB 3.26Å; L415-L419 WeakPolarHBondContact O-CD1 3.45Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.91Å
416	I	97	Very high	94.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-68.3	-34	-178	-172	55.1	0	0	0	112.3	T55 M113 Y233 G412 L413 N418 L419 S420	T55-I416 HydrophobicContact CG2-CG2 4.3Å; M113-I416 HydrophobicContact SD-CG1 3.98Å; Y233-I416 HydrophobicContact CD1-CB 3.8Å; Y233-I416 HydrophobicContact CD1-CD1 4.22Å; Y233-I416 HydrophobicContact CD1-CG1 3.85Å; Y233-I416 HydrophobicContact CD1-CG2 4.18Å; Y233-I416 HydrophobicContact CD2-CB 4.39Å; Y233-I416 HydrophobicContact CD2-CD1 3.76Å; Y233-I416 HydrophobicContact CD2-CG1 4.28Å; Y233-I416 HydrophobicContact CE1-CB 3.59Å; Y233-I416 HydrophobicContact CE1-CG1 4.19Å; Y233-I416 HydrophobicContact CE1-CG2 3.9Å; Y233-I416 HydrophobicContact CE2-CB 4.18Å; Y233-I416 HydrophobicContact CE2-CD1 4.22Å; Y233-I416 HydrophobicContact CG-CB 4.17Å; Y233-I416 HydrophobicContact CG-CD1 3.72Å; Y233-I416 HydrophobicContact CG-CG1 3.87Å; G412-I416 PolarHBondContact O-N 3Å; L413-I416 HydrophobicContact CD1-CG2 4.36Å; L413-I416 VanDerWaalsContact O-CG2 3.23Å; L413-I416 WeakPolarHBondContact O-CG2 3.46Å; L413-I416 PolarHBondContact O-N 3.39Å; I416-N418 VanDerWaalsContact C-N 3.34Å; I416-L419 PolarHBondContact O-N 3.37Å; I416-S420 WeakPolarHBondContact O-CA 3.39Å; I416-S420 WeakPolarHBondContact O-CB 3.33Å; I416-S420 PolarHBondContact O-N 2.9Å
417	L	96.9	Very high	94.6	Very high	58 Å²	58	27.1 Å²	27.1	30%	0.304	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-44.8	173.1	-66.5	174.8	0	0	0	110.8	L106 M113 L413 N414 L415 L419 S420	L106-L417 HydrophobicContact CD1-CD2 3.5Å; L106-L417 VanDerWaalsContact CD1-CD2 3.5Å; M113-L417 HydrophobicContact CE-CD2 3.97Å; L413-L417 HydrophobicContact CD1-CD1 4.1Å; L413-L417 HydrophobicContact CD1-CG 4.15Å; L413-L417 HydrophobicContact CG-CD1 3.96Å; L413-L417 HydrophobicContact CG-CG 4.42Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.33Å; L413-L417 PolarHBondContact O-N 3.19Å; N414-L417 PolarHBondContact O-N 2.81Å; L415-L417 VanDerWaalsContact C-N 3.33Å; L415-L417 PolarHBondContact O-N 2.99Å; L417-L419 PolarHBondContact O-N 3.36Å; L417-S420 PolarHBondContact O-N 3.26Å; L417-S420 PolarHBondContact O-OG 2.98Å
418	N	94.1	Very high	95.3	Very high	117 Å²	117	28 Å²	28	63%	0.626	16%	0.156	S	C	*	.	H	α-helix	trans	-70	-29.5	177.5	-68.5	-10.2	0	0	0	113.4	N414 L415 I416	N414-N418 WeakPolarHBondContact O-CB 3.41Å; N414-N418 PolarHBondContact O-N 2.98Å; N414-N418 PolarHBondContact O-ND2 2.87Å; L415-N418 PolarHBondContact O-N 3.1Å; I416-N418 VanDerWaalsContact C-N 3.34Å
419	L	96.2	Very high	95.6	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-85.8	-18.3	179.1	-69.2	166.8	0	0	0	113.4	L45 L47 L415 I416 L417 N421 A422 V423 L429 F432 L433	L45-L419 HydrophobicContact CD2-CD1 4.31Å; L47-L419 HydrophobicContact CD1-CD1 4.16Å; L415-L419 HydrophobicContact CB-CD1 4.46Å; L415-L419 WeakPolarHBondContact O-CB 3.26Å; L415-L419 WeakPolarHBondContact O-CD1 3.45Å; L415-L419 WeakPolarHBondContact O-CG 3.46Å; L415-L419 PolarHBondContact O-N 2.91Å; I416-L419 PolarHBondContact O-N 3.37Å; L417-L419 PolarHBondContact O-N 3.36Å; L419-N421 PolarHBondContact O-N 2.91Å; L419-A422 CarbonylContact O-C 3.4Å; L419-A422 WeakPolarHBondContact O-CA 3.42Å; L419-A422 WeakPolarHBondContact O-CB 3.46Å; L419-A422 PolarHBondContact O-N 3.28Å; L419-V423 HydrophobicContact CB-CG2 4.19Å; L419-V423 WeakPolarHBondContact O-CB 3.47Å; L419-V423 WeakPolarHBondContact O-CG2 3.36Å; L419-V423 PolarHBondContact O-N 2.51Å; L419-L429 HydrophobicContact CD2-CD2 4.22Å; L419-F432 HydrophobicContact CD2-CD1 3.49Å; L419-F432 VanDerWaalsContact CD2-CD1 3.49Å; L419-F432 HydrophobicContact CD2-CE1 3.7Å; L419-L433 HydrophobicContact CD1-CD2 4.21Å; L419-L433 HydrophobicContact CD2-CD2 3.87Å; L419-L433 HydrophobicContact CD2-CG 4.12Å; L419-L433 HydrophobicContact CG-CD2 4.47Å
420	S	97.6	Very high	95.8	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-51.7	-48.9	-168.6	58.5	0	0	0	0	113.8	Q59 W111 I416 L417 V423 N424	Q59-S420 PolarHBondContact NE2-O 3.26Å; W111-S420 WeakPolarHBondContact CZ2-OG 3.49Å; I416-S420 WeakPolarHBondContact O-CA 3.39Å; I416-S420 WeakPolarHBondContact O-CB 3.33Å; I416-S420 PolarHBondContact O-N 2.9Å; L417-S420 PolarHBondContact O-N 3.26Å; L417-S420 PolarHBondContact O-OG 2.98Å; S420-V423 PolarHBondContact O-N 3.48Å; S420-N424 WeakPolarHBondContact O-CB 3.48Å; S420-N424 PolarHBondContact O-N 3.19Å
421	N	96.9	Very high	95.8	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.107	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-43.5	176.9	-59.1	-55.4	0	0	0	111.6	W111 I304 R350 E351 L419 V423 N424 H425	W111-N421 PolarHBondContact NE1-OD1 2.76Å; I304-N421 HydrophobicContact CD1-CB 3.68Å; R350-N421 WeakPolarHBondContact O-CB 3.41Å; R350-N421 PolarHBondContact O-ND2 2.98Å; E351-N421 PolarHBondContact O-OD1 3.3Å; L419-N421 PolarHBondContact O-N 2.91Å; N421-V423 PolarHBondContact O-N 3.02Å; N421-N424 WeakPolarHBondContact O-CB 3.32Å; N421-N424 PolarHBondContact O-N 3.08Å; N421-H425 PolarHBondContact O-CD2 2.76Å; N421-H425 PolarHBondContact O-N 3.35Å
422	A	96.3	Very high	95.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-44.1	178.2	0	0	0	0	0	111.7	L419 H425 G426 V427 L429 F432	L419-A422 CarbonylContact O-C 3.4Å; L419-A422 WeakPolarHBondContact O-CA 3.42Å; L419-A422 WeakPolarHBondContact O-CB 3.46Å; L419-A422 PolarHBondContact O-N 3.28Å; A422-H425 PolarHBondContact O-N 3.2Å; A422-G426 PolarHBondContact O-N 2.7Å; A422-V427 HydrophobicContact CB-CB 3.81Å; A422-V427 HydrophobicContact CB-CG1 4.22Å; A422-V427 HydrophobicContact CB-CG2 3.84Å; A422-V427 WeakPolarHBondContact O-CB 3.45Å; A422-V427 WeakPolarHBondContact O-CG2 3.4Å; A422-V427 PolarHBondContact O-N 3.43Å; A422-L429 HydrophobicContact CB-CD2 4.26Å; A422-F432 HydrophobicContact CB-CD2 4.17Å; A422-F432 HydrophobicContact CB-CE1 4.4Å; A422-F432 HydrophobicContact CB-CE2 4.03Å; A422-F432 HydrophobicContact CB-CG 4.41Å; A422-F432 HydrophobicContact CB-CZ 4.14Å
423	V	96	Very high	95.8	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-44.5	173.5	170.3	0	0	0	0	110.9	L45 C231 L419 S420 N421 H425 G426 L429	L45-V423 HydrophobicContact CD2-CG2 4.44Å; C231-V423 HydrophobicContact CB-CG1 3.61Å; C231-V423 VanDerWaalsContact SG-CG1 3.51Å; L419-V423 HydrophobicContact CB-CG2 4.19Å; L419-V423 WeakPolarHBondContact O-CB 3.47Å; L419-V423 WeakPolarHBondContact O-CG2 3.36Å; L419-V423 PolarHBondContact O-N 2.51Å; S420-V423 PolarHBondContact O-N 3.48Å; N421-V423 PolarHBondContact O-N 3.02Å; V423-H425 VanDerWaalsContact C-N 3.27Å; V423-H425 PolarHBondContact O-N 3.18Å; V423-G426 PolarHBondContact O-N 3.03Å; V423-L429 HydrophobicContact CG2-CD1 4.12Å; V423-L429 HydrophobicContact CG2-CD2 4.08Å
424	N	95.8	Very high	95.6	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-39.8	-178.8	-163.1	35.3	0	0	0	112	R61 D110 W111 S420 N421	R61-N424 VanDerWaalsContact CB-OD1 3.32Å; R61-N424 WeakPolarHBondContact CB-OD1 3.46Å; R61-N424 WeakPolarHBondContact CG-OD1 3.46Å; R61-N424 PolarHBondContact NE-O 3.08Å; R61-N424 PolarHBondContact NE-OD1 2.94Å; R61-N424 PolarHBondContact NH2-O 3.16Å; D110-N424 VanDerWaalsContact CG-ND2 3.34Å; D110-N424 PolarHBondContact O-ND2 3.22Å; D110-N424 VanDerWaalsContact O-ND2 3.14Å; D110-N424 PolarHBondContact OD1-ND2 2.88Å; W111-N424 HydrophobicContact CB-CB 4.5Å; S420-N424 WeakPolarHBondContact O-CB 3.48Å; S420-N424 PolarHBondContact O-N 3.19Å; N421-N424 WeakPolarHBondContact O-CB 3.32Å; N421-N424 PolarHBondContact O-N 3.08Å
425	H	94.9	Very high	95.4	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-96.3	-1.6	-175.5	-58.9	-52.8	0	0	0	114.4	D110 I304 R353 N421 A422 V423	D110-H425 IonicContact OD1-CE1 3.03Å; D110-H425 IonicContact OD1-NE2 3.9Å; D110-H425 IonicContact OD2-CE1 3.71Å; D110-H425 PolarHBondContact OD2-CE1 3.29Å; D110-H425 IonicContact OD2-NE2 3.39Å; D110-H425 PolarHBondContact OD2-NE2 3.16Å; I304-H425 HydrophobicContact CG2-CB 3.71Å; R353-H425 PolarHBondContact N-NE2 2.88Å; N421-H425 PolarHBondContact O-CD2 2.76Å; N421-H425 PolarHBondContact O-N 3.35Å; A422-H425 PolarHBondContact O-N 3.2Å; V423-H425 VanDerWaalsContact C-N 3.27Å; V423-H425 PolarHBondContact O-N 3.18Å
426	G	92.3	Very high	95.2	Very high	34 Å²	34	32 Å²	32	35%	0.351	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	28.1	173.8	0	0	0	0	0	114.6	Y305 A422 V423	Y305-G426 WeakPolarHBondContact CE2-O 3.44Å; A422-G426 PolarHBondContact O-N 2.7Å; V423-G426 PolarHBondContact O-N 3.03Å
427	V	96.1	Very high	95	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.042	19%	0.194	C	C	.	.			trans	-57.4	148.6	174.3	178.9	0	0	0	0	110.9	I304 V307 A422 L429 F432	I304-V427 HydrophobicContact CG1-CG2 4.45Å; I304-V427 HydrophobicContact CG2-CG2 4.26Å; V307-V427 HydrophobicContact CG2-CG1 3.28Å; A422-V427 HydrophobicContact CB-CB 3.81Å; A422-V427 HydrophobicContact CB-CG1 4.22Å; A422-V427 HydrophobicContact CB-CG2 3.84Å; A422-V427 WeakPolarHBondContact O-CB 3.45Å; A422-V427 WeakPolarHBondContact O-CG2 3.4Å; A422-V427 PolarHBondContact O-N 3.43Å; V427-L429 PolarHBondContact O-N 3.05Å; V427-F432 HydrophobicContact CG1-CB 4.29Å; V427-F432 HydrophobicContact CG1-CD2 4.04Å
428	D	96.2	Very high	94.9	Very high	52 Å²	52	32 Å²	32	28%	0.278	18%	0.182	S	C	.	.			trans	-69.3	102.2	171.5	-171.7	-8.5	0	0	0	111.2	R21 N430 E431 F432	R21-D428 IonicContact CZ-OD1 3.01Å; R21-D428 IonicContact NH1-OD1 3.99Å; R21-D428 PolarHBondContact NH1-OD1 3.02Å; R21-D428 IonicContact NH1-OD2 3.65Å; R21-D428 PolarHBondContact NH1-OD2 2.94Å; R21-D428 IonicContact NH2-OD1 3.01Å; R21-D428 PolarHBondContact NH2-OD1 3.35Å; D428-N430 PolarHBondContact O-N 3.47Å; D428-N430 WeakPolarHBondContact OD1-CB 3.27Å; D428-N430 PolarHBondContact OD1-N 3.23Å; D428-E431 HydrophobicContact CB-CB 4.39Å; D428-E431 PolarHBondContact O-N 3.18Å; D428-F432 WeakPolarHBondContact O-CB 3.38Å; D428-F432 PolarHBondContact O-N 3.34Å
429	L	95.9	Very high	94.9	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.063	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-23.7	-179	-54.8	-176.8	0	0	0	114	F23 L45 L419 A422 V423 V427 L433	F23-L429 HydrophobicContact CZ-CB 4.17Å; L45-L429 HydrophobicContact CD1-CD1 3.93Å; L45-L429 HydrophobicContact CD2-CD1 3.63Å; L45-L429 HydrophobicContact CG-CD1 4.35Å; L419-L429 HydrophobicContact CD2-CD2 4.22Å; A422-L429 HydrophobicContact CB-CD2 4.26Å; V423-L429 HydrophobicContact CG2-CD1 4.12Å; V423-L429 HydrophobicContact CG2-CD2 4.08Å; V427-L429 PolarHBondContact O-N 3.05Å; L429-L433 VanDerWaalsContact O-CB 3.24Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 2.88Å
430	N	95.5	Very high	94.8	Very high	46 Å²	46	31.9 Å²	31.9	25%	0.246	18%	0.182	C	C	.	.	H	α-helix	trans	-70.6	-38.1	176.2	171.3	63	0	0	0	111.4	F23 D428 K434	F23-N430 HydrophobicContact CD1-CB 3.85Å; F23-N430 HydrophobicContact CD2-CB 3.84Å; F23-N430 VanDerWaalsContact CD2-OD1 3.3Å; F23-N430 WeakPolarHBondContact CD2-OD1 3.36Å; F23-N430 HydrophobicContact CE1-CB 3.83Å; F23-N430 VanDerWaalsContact CE2-CA 3.47Å; F23-N430 HydrophobicContact CE2-CB 3.82Å; F23-N430 HydrophobicContact CG-CB 3.86Å; F23-N430 WeakPolarHBondContact CG-OD1 3.28Å; F23-N430 HydrophobicContact CZ-CB 3.82Å; D428-N430 PolarHBondContact O-N 3.47Å; D428-N430 WeakPolarHBondContact OD1-CB 3.27Å; D428-N430 PolarHBondContact OD1-N 3.23Å; N430-K434 WeakPolarHBondContact O-CB 3.35Å; N430-K434 WeakPolarHBondContact O-CD 3.44Å; N430-K434 VanDerWaalsContact O-CG 3.3Å; N430-K434 WeakPolarHBondContact O-CG 3.32Å; N430-K434 VanDerWaalsContact OD1-CE 3.29Å; N430-K434 WeakPolarHBondContact OD1-CE 3.08Å; N430-K434 PolarHBondContact OD1-NZ 3.25Å
431	E	95.6	Very high	94.7	Very high	63 Å²	63	36.8 Å²	36.8	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-73.6	-41.4	172.7	-168.9	-179.1	178.1	0	0	110.8	V307 D428 L433 K434 N438	V307-E431 HydrophobicContact CB-CB 4.43Å; V307-E431 HydrophobicContact CB-CG 3.97Å; V307-E431 HydrophobicContact CG1-CB 4.35Å; V307-E431 HydrophobicContact CG1-CG 3.87Å; V307-E431 HydrophobicContact CG2-CB 4.39Å; V307-E431 HydrophobicContact CG2-CG 4.44Å; D428-E431 HydrophobicContact CB-CB 4.39Å; D428-E431 PolarHBondContact O-N 3.18Å; E431-L433 PolarHBondContact O-N 2.74Å; E431-K434 PolarHBondContact O-N 2.88Å; E431-N438 PolarHBondContact O-ND2 2.86Å
432	F	94.6	Very high	94.8	Very high	63 Å²	63	35.8 Å²	35.8	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-63.9	-39.9	-177.9	-166.8	-89.1	0	0	0	113.3	V307 L419 A422 V427 D428	V307-F432 HydrophobicContact CG1-CB 4.3Å; V307-F432 HydrophobicContact CG1-CD2 4.22Å; V307-F432 HydrophobicContact CG2-CB 4.32Å; V307-F432 HydrophobicContact CG2-CD2 4.27Å; L419-F432 HydrophobicContact CD2-CD1 3.49Å; L419-F432 VanDerWaalsContact CD2-CD1 3.49Å; L419-F432 HydrophobicContact CD2-CE1 3.7Å; A422-F432 HydrophobicContact CB-CD2 4.17Å; A422-F432 HydrophobicContact CB-CE1 4.4Å; A422-F432 HydrophobicContact CB-CE2 4.03Å; A422-F432 HydrophobicContact CB-CG 4.41Å; A422-F432 HydrophobicContact CB-CZ 4.14Å; V427-F432 HydrophobicContact CG1-CB 4.29Å; V427-F432 HydrophobicContact CG1-CD2 4.04Å; D428-F432 WeakPolarHBondContact O-CB 3.38Å; D428-F432 PolarHBondContact O-N 3.34Å
433	L	94.3	Very high	94.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.2	-178.7	-74.3	168.7	0	0	0	114.3	F23 V25 L28 L47 L419 L429 E431 I435	F23-L433 HydrophobicContact CE2-CD1 4.05Å; F23-L433 HydrophobicContact CZ-CD1 4.3Å; V25-L433 HydrophobicContact CG1-CB 4.26Å; V25-L433 WeakPolarHBondContact CG1-O 3.43Å; V25-L433 HydrophobicContact CG2-CB 3.96Å; V25-L433 HydrophobicContact CG2-CD1 4.37Å; L28-L433 HydrophobicContact CD1-CD2 4.1Å; L47-L433 HydrophobicContact CD2-CD1 4.36Å; L419-L433 HydrophobicContact CD1-CD2 4.21Å; L419-L433 HydrophobicContact CD2-CD2 3.87Å; L419-L433 HydrophobicContact CD2-CG 4.12Å; L419-L433 HydrophobicContact CG-CD2 4.47Å; L429-L433 VanDerWaalsContact O-CB 3.24Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 WeakPolarHBondContact O-CG 3.47Å; L429-L433 PolarHBondContact O-N 2.88Å; E431-L433 PolarHBondContact O-N 2.74Å; L433-I435 PolarHBondContact O-N 3Å
434	K	93.4	Very high	94.8	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	23%	0.233	S	C	.	.			trans	-96.3	69.6	-178.7	-73.8	179	172.4	166	0	110.5	E24 V25 N430 E431 G436 A437 N438	E24-K434 WeakPolarHBondContact O-CE 3.03Å; E24-K434 PolarHBondContact O-NZ 3.34Å; V25-K434 HydrophobicContact CG1-CG 4.48Å; N430-K434 WeakPolarHBondContact O-CB 3.35Å; N430-K434 WeakPolarHBondContact O-CD 3.44Å; N430-K434 VanDerWaalsContact O-CG 3.3Å; N430-K434 WeakPolarHBondContact O-CG 3.32Å; N430-K434 VanDerWaalsContact OD1-CE 3.29Å; N430-K434 WeakPolarHBondContact OD1-CE 3.08Å; N430-K434 PolarHBondContact OD1-NZ 3.25Å; E431-K434 PolarHBondContact O-N 2.88Å; K434-G436 VanDerWaalsContact C-N 3.3Å; K434-G436 PolarHBondContact O-N 3.24Å; K434-A437 HydrophobicContact CB-CB 4.05Å; K434-A437 PolarHBondContact O-N 2.97Å; K434-N438 PolarHBondContact O-N 3.27Å
435	I	91.3	Very high	94.9	Very high	50 Å²	50	47.5 Å²	47.5	26%	0.256	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-41.1	-178.6	-54.7	173.5	0	0	0	109.9	E27 F311 Y400 I404 L433 A437 N438 V439	E27-I435 PolarHBondContact OE1-N 2.86Å; F311-I435 HydrophobicContact CE2-CG2 4.17Å; Y400-I435 HydrophobicContact CD1-CG2 4.25Å; I404-I435 HydrophobicContact CD1-CB 3.8Å; I404-I435 HydrophobicContact CD1-CG2 3.7Å; I404-I435 HydrophobicContact CG1-CB 4.13Å; I404-I435 HydrophobicContact CG1-CD1 4.14Å; I404-I435 HydrophobicContact CG1-CG2 4.2Å; L433-I435 PolarHBondContact O-N 3Å; I435-A437 VanDerWaalsContact C-N 3.29Å; I435-A437 PolarHBondContact O-N 3.48Å; I435-N438 WeakPolarHBondContact O-CB 3.29Å; I435-N438 PolarHBondContact O-N 2.85Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CG2 3.31Å; I435-V439 PolarHBondContact O-N 3.1Å
436	G	91.1	Very high	95	Very high	17 Å²	17	47.5 Å²	47.5	18%	0.175	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-39.5	177.1	0	0	0	0	0	113.1	E27 K434 N438 V439 D440	E27-G436 PolarHBondContact OE1-N 3.33Å; E27-G436 VanDerWaalsContact OE2-CA 3.26Å; E27-G436 WeakPolarHBondContact OE2-CA 3.46Å; E27-G436 PolarHBondContact OE2-N 3.25Å; K434-G436 VanDerWaalsContact C-N 3.3Å; K434-G436 PolarHBondContact O-N 3.24Å; G436-N438 VanDerWaalsContact C-N 3.33Å; G436-N438 PolarHBondContact O-N 3.49Å; G436-V439 WeakPolarHBondContact O-CB 3.3Å; G436-V439 PolarHBondContact O-N 3.41Å; G436-D440 PolarHBondContact O-N 3.3Å
437	A	93.2	Very high	95.2	Very high	52 Å²	52	51.7 Å²	51.7	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-35.7	175.8	0	0	0	0	0	112.4	K434 I435 R441	K434-A437 HydrophobicContact CB-CB 4.05Å; K434-A437 PolarHBondContact O-N 2.97Å; I435-A437 VanDerWaalsContact C-N 3.29Å; I435-A437 PolarHBondContact O-N 3.48Å; A437-R441 VanDerWaalsContact O-CB 3.31Å; A437-R441 WeakPolarHBondContact O-CB 3.17Å; A437-R441 PolarHBondContact O-N 2.76Å
438	N	94.5	Very high	95.2	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.059	29%	0.292	C	S	.	.	H	α-helix	trans	-70.6	-38.3	175	-70.1	-36.6	0	0	0	111.8	Y308 F311 E431 K434 I435 G436 R441 F442	Y308-N438 HydrophobicContact CD2-CB 4.4Å; F311-N438 HydrophobicContact CD1-CB 3.77Å; F311-N438 HydrophobicContact CD2-CB 4.11Å; F311-N438 HydrophobicContact CE1-CB 3.89Å; F311-N438 WeakPolarHBondContact CE1-O 3.28Å; F311-N438 HydrophobicContact CE2-CB 4.22Å; F311-N438 HydrophobicContact CG-CB 3.88Å; F311-N438 HydrophobicContact CZ-CB 4.12Å; E431-N438 PolarHBondContact O-ND2 2.86Å; K434-N438 PolarHBondContact O-N 3.27Å; I435-N438 WeakPolarHBondContact O-CB 3.29Å; I435-N438 PolarHBondContact O-N 2.85Å; G436-N438 VanDerWaalsContact C-N 3.33Å; G436-N438 PolarHBondContact O-N 3.49Å; N438-R441 PolarHBondContact O-N 2.88Å; N438-F442 VanDerWaalsContact O-CB 3.3Å; N438-F442 WeakPolarHBondContact O-CB 3.4Å; N438-F442 PolarHBondContact O-N 2.94Å
439	V	94.4	Very high	95.2	Very high	19 Å²	19	57.9 Å²	57.9	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-49.1	172	171.7	0	0	0	0	110.4	F311 L397 I435 G436 R441 F442 R443	F311-V439 HydrophobicContact CE2-CG2 4.22Å; F311-V439 HydrophobicContact CZ-CB 4.41Å; F311-V439 HydrophobicContact CZ-CG2 3.68Å; L397-V439 HydrophobicContact CD2-CG1 4.37Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CG2 3.31Å; I435-V439 PolarHBondContact O-N 3.1Å; G436-V439 WeakPolarHBondContact O-CB 3.3Å; G436-V439 PolarHBondContact O-N 3.41Å; V439-R441 PolarHBondContact O-N 2.83Å; V439-F442 PolarHBondContact O-N 3.41Å; V439-R443 WeakPolarHBondContact O-CG 3.25Å; V439-R443 PolarHBondContact O-N 3.15Å
440	D	94.6	Very high	95.1	Very high	97 Å²	97	61 Å²	61	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-45.1	179.4	-75.2	-21.9	0	0	0	111.9	G436 R443 Q444	G436-D440 PolarHBondContact O-N 3.3Å; D440-R443 PolarHBondContact O-N 3.17Å; D440-Q444 WeakPolarHBondContact O-CG 3.4Å; D440-Q444 PolarHBondContact O-N 2.82Å
441	R	96.7	Very high	95.2	Very high	105 Å²	105	62.4 Å²	62.4	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-46.9	176	-178.8	-179.7	166.9	-173.8	-2.5	111.1	Y308 A437 N438 V439 R443 Q444 E445	Y308-R441 VanDerWaalsContact CD1-NH2 3.33Å; Y308-R441 HydrophobicContact CD2-CG 4.33Å; Y308-R441 HydrophobicContact CE1-CG 4.47Å; Y308-R441 HydrophobicContact CE2-CB 3.86Å; Y308-R441 VanDerWaalsContact CE2-CD 3.44Å; Y308-R441 HydrophobicContact CE2-CG 3.62Å; Y308-R441 VanDerWaalsContact CG-CZ 3.49Å; Y308-R441 VanDerWaalsContact CG-NH1 3.35Å; A437-R441 VanDerWaalsContact O-CB 3.31Å; A437-R441 WeakPolarHBondContact O-CB 3.17Å; A437-R441 PolarHBondContact O-N 2.76Å; N438-R441 PolarHBondContact O-N 2.88Å; V439-R441 PolarHBondContact O-N 2.83Å; R441-R443 PolarHBondContact O-N 3.03Å; R441-Q444 PolarHBondContact O-N 2.82Å; R441-E445 IonicContact CZ-OE1 3.6Å; R441-E445 IonicContact NE-OE1 3.75Å; R441-E445 PolarHBondContact NE-OE1 2.92Å; R441-E445 IonicContact NH2-OE1 3.49Å; R441-E445 PolarHBondContact NH2-OE1 3Å; R441-E445 WeakPolarHBondContact O-CG 3.05Å; R441-E445 PolarHBondContact O-N 2.95Å
442	F	97.4	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-45.5	175.1	171.8	-102.2	0	0	0	112.4	Y308 F311 V312 I315 V393 L397 N438 V439 Q444 E445 W446 I452 L453	Y308-F442 HydrophobicContact CE2-CB 4.44Å; Y308-F442 WeakPolarHBondContact OH-CA 3.42Å; Y308-F442 PolarHBondContact OH-N 3.45Å; F311-F442 HydrophobicContact CE1-CB 3.85Å; F311-F442 HydrophobicContact CE1-CG 4.43Å; V312-F442 HydrophobicContact CG1-CD2 4.38Å; V312-F442 HydrophobicContact CG1-CE2 4.34Å; V312-F442 HydrophobicContact CG2-CD2 4.04Å; I315-F442 HydrophobicContact CD1-CD1 3.73Å; I315-F442 HydrophobicContact CD1-CD2 4.13Å; I315-F442 HydrophobicContact CD1-CE1 3.88Å; I315-F442 HydrophobicContact CD1-CE2 4.27Å; I315-F442 HydrophobicContact CD1-CG 3.85Å; I315-F442 HydrophobicContact CD1-CZ 4.16Å; I315-F442 HydrophobicContact CG2-CZ 4.32Å; V393-F442 HydrophobicContact CG1-CE1 4.1Å; V393-F442 HydrophobicContact CG1-CZ 4.29Å; L397-F442 HydrophobicContact CD1-CD1 4.19Å; L397-F442 HydrophobicContact CD1-CE1 4.06Å; L397-F442 HydrophobicContact CD2-CD1 3.91Å; L397-F442 HydrophobicContact CD2-CE1 4.1Å; L397-F442 HydrophobicContact CG-CE1 4.45Å; N438-F442 VanDerWaalsContact O-CB 3.3Å; N438-F442 WeakPolarHBondContact O-CB 3.4Å; N438-F442 PolarHBondContact O-N 2.94Å; V439-F442 PolarHBondContact O-N 3.41Å; F442-Q444 VanDerWaalsContact C-N 3.29Å; F442-Q444 PolarHBondContact O-N 2.93Å; F442-E445 PolarHBondContact O-N 3.1Å; F442-W446 HydrophobicContact CE1-CB 4.39Å; F442-W446 HydrophobicContact CE2-CB 4.24Å; F442-W446 HydrophobicContact CZ-CB 4.08Å; F442-W446 HydrophobicContact CZ-CG 4.15Å; F442-W446 VanDerWaalsContact O-CB 3.25Å; F442-W446 WeakPolarHBondContact O-CB 3.48Å; F442-W446 PolarHBondContact O-N 3.36Å; F442-I452 HydrophobicContact CE2-CG2 4.42Å; F442-L453 HydrophobicContact CE2-CD2 3.69Å; F442-L453 HydrophobicContact CE2-CG 4.29Å; F442-L453 HydrophobicContact CZ-CD1 4.22Å; F442-L453 HydrophobicContact CZ-CD2 3.81Å; F442-L453 HydrophobicContact CZ-CG 4.2Å
443	R	96.2	Very high	95.4	Very high	78 Å²	78	57.3 Å²	57.3	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-58.2	-41.2	175.8	-76.1	-176	174.5	-79.4	1.3	111.9	E394 L397 V439 D440 R441 N447	E394-R443 VanDerWaalsContact CD-NH1 3.33Å; E394-R443 IonicContact OE1-CZ 3.3Å; E394-R443 IonicContact OE1-NH1 3.23Å; E394-R443 PolarHBondContact OE1-NH1 2.96Å; E394-R443 IonicContact OE1-NH2 3.39Å; E394-R443 IonicContact OE2-CZ 2.69Å; E394-R443 IonicContact OE2-NH1 2.72Å; E394-R443 PolarHBondContact OE2-NH1 2.88Å; E394-R443 IonicContact OE2-NH2 3.44Å; E394-R443 PolarHBondContact OE2-NH2 3.02Å; L397-R443 HydrophobicContact CD1-CG 4.07Å; V439-R443 WeakPolarHBondContact O-CG 3.25Å; V439-R443 PolarHBondContact O-N 3.15Å; D440-R443 PolarHBondContact O-N 3.17Å; R441-R443 PolarHBondContact O-N 3.03Å; R443-N447 VanDerWaalsContact O-CB 3.26Å; R443-N447 WeakPolarHBondContact O-CB 3.27Å; R443-N447 PolarHBondContact O-N 2.87Å; R443-N447 PolarHBondContact O-ND2 2.97Å
444	Q	97.5	Very high	95.6	Very high	133 Å²	133	58.4 Å²	58.4	62%	0.621	31%	0.309	S	S	*	.	H	α-helix	trans	-65.9	-46.4	177.1	-70.1	172.8	16.9	0	0	112.4	D440 R441 F442 T448	D440-Q444 WeakPolarHBondContact O-CG 3.4Å; D440-Q444 PolarHBondContact O-N 2.82Å; R441-Q444 PolarHBondContact O-N 2.82Å; F442-Q444 VanDerWaalsContact C-N 3.29Å; F442-Q444 PolarHBondContact O-N 2.93Å; Q444-T448 WeakPolarHBondContact O-CB 3.49Å; Q444-T448 PolarHBondContact O-N 3.43Å; Q444-T448 VanDerWaalsContact O-N 3.14Å; Q444-T448 PolarHBondContact O-OG1 2.86Å
445	E	97.7	Very high	95.9	Very high	61 Å²	61	58.2 Å²	58.2	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-63.8	-45.6	178.2	-70.8	-173.5	-161.9	0	0	110.9	Y308 R441 F442 N447 T448 D449 I452	Y308-E445 WeakPolarHBondContact CE1-OE1 3.42Å; Y308-E445 WeakPolarHBondContact CE1-OE2 3.28Å; Y308-E445 PolarHBondContact OH-OE1 3.33Å; Y308-E445 PolarHBondContact OH-OE2 3.47Å; R441-E445 IonicContact CZ-OE1 3.6Å; R441-E445 IonicContact NE-OE1 3.75Å; R441-E445 PolarHBondContact NE-OE1 2.92Å; R441-E445 IonicContact NH2-OE1 3.49Å; R441-E445 PolarHBondContact NH2-OE1 3Å; R441-E445 WeakPolarHBondContact O-CG 3.05Å; R441-E445 PolarHBondContact O-N 2.95Å; F442-E445 PolarHBondContact O-N 3.1Å; E445-N447 PolarHBondContact O-N 2.74Å; E445-T448 WeakPolarHBondContact O-CB 3.47Å; E445-T448 PolarHBondContact O-N 3.43Å; E445-T448 VanDerWaalsContact O-N 3.11Å; E445-D449 PolarHBondContact O-N 3.44Å; E445-I452 HydrophobicContact CB-CD1 3.97Å
446	W	96.5	Very high	96.2	Very high	27 Å²	27	57 Å²	57	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-36.6	179	-175.4	49.9	0	0	0	113.5	V390 V393 F442 T448 D449 P450 I452	V390-W446 HydrophobicContact CG1-CH2 4.13Å; V393-W446 HydrophobicContact CB-CH2 3.82Å; V393-W446 HydrophobicContact CB-CZ2 4Å; V393-W446 HydrophobicContact CB-CZ3 4.43Å; V393-W446 HydrophobicContact CG1-CD2 4.37Å; V393-W446 HydrophobicContact CG1-CE3 4.22Å; V393-W446 HydrophobicContact CG1-CH2 3.72Å; V393-W446 HydrophobicContact CG1-CZ2 3.92Å; V393-W446 HydrophobicContact CG1-CZ3 3.9Å; V393-W446 HydrophobicContact CG2-CH2 4.3Å; V393-W446 HydrophobicContact CG2-CZ2 3.97Å; F442-W446 HydrophobicContact CE1-CB 4.39Å; F442-W446 HydrophobicContact CE2-CB 4.24Å; F442-W446 HydrophobicContact CZ-CB 4.08Å; F442-W446 HydrophobicContact CZ-CG 4.15Å; F442-W446 VanDerWaalsContact O-CB 3.25Å; F442-W446 WeakPolarHBondContact O-CB 3.48Å; F442-W446 PolarHBondContact O-N 3.36Å; W446-T448 PolarHBondContact O-N 2.85Å; W446-D449 CarbonylContact O-C 3.59Å; W446-P450 VanDerWaalsContact O-CA 3.3Å; W446-P450 WeakPolarHBondContact O-CA 3.48Å; W446-P450 VanDerWaalsContact O-N 3.08Å; W446-I452 HydrophobicContact CB-CG2 4.26Å; W446-I452 HydrophobicContact CG-CG2 4.46Å
447	N	95.6	Very high	96.6	Very high	121 Å²	121	56.2 Å²	56.2	65%	0.647	30%	0.301	S	S	*	.	H	α-helix	trans	-66.8	-28.6	172.5	-76.8	-29.2	0	0	0	112.6	R443 E445	R443-N447 VanDerWaalsContact O-CB 3.26Å; R443-N447 WeakPolarHBondContact O-CB 3.27Å; R443-N447 PolarHBondContact O-N 2.87Å; R443-N447 PolarHBondContact O-ND2 2.97Å; E445-N447 PolarHBondContact O-N 2.74Å
448	T	97.3	Very high	96.8	Very high	124 Å²	124	56.9 Å²	56.9	76%	0.761	30%	0.295	S	S	*	.	H	α-helix	trans	-82.2	-40.1	178.3	-55.7	0	0	0	0	111.3	Q444 E445 W446	Q444-T448 WeakPolarHBondContact O-CB 3.49Å; Q444-T448 PolarHBondContact O-N 3.43Å; Q444-T448 VanDerWaalsContact O-N 3.14Å; Q444-T448 PolarHBondContact O-OG1 2.86Å; E445-T448 WeakPolarHBondContact O-CB 3.47Å; E445-T448 PolarHBondContact O-N 3.43Å; E445-T448 VanDerWaalsContact O-N 3.11Å; W446-T448 PolarHBondContact O-N 2.85Å
449	D	96.8	Very high	97	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	32%	0.316	S	S	.	.			trans	-133	92.3	176.6	179	10.4	0	0	0	110.4	E445 W446 T451 I452	E445-D449 PolarHBondContact O-N 3.44Å; W446-D449 CarbonylContact O-C 3.59Å; D449-T451 PolarHBondContact O-N 3.38Å; D449-T451 WeakPolarHBondContact OD1-CA 3.2Å; D449-T451 WeakPolarHBondContact OD1-CB 3.32Å; D449-T451 PolarHBondContact OD1-N 2.95Å; D449-T451 PolarHBondContact OD1-OG1 2.97Å; D449-I452 WeakPolarHBondContact O-CB 3.44Å; D449-I452 WeakPolarHBondContact O-CG2 3.41Å; D449-I452 PolarHBondContact O-N 2.95Å; D449-I452 VanDerWaalsContact O-N 3.16Å
450	P	93.9	Very high	97.2	Very high	78 Å²	78	61.5 Å²	61.5	51%	0.506	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.4	176.8	-25.9	35.9	0	0	0	114.5	W446 Q454	W446-P450 VanDerWaalsContact O-CA 3.3Å; W446-P450 WeakPolarHBondContact O-CA 3.48Å; W446-P450 VanDerWaalsContact O-N 3.08Å; P450-Q454 PolarHBondContact O-OE1 3.48Å
451	T	96.1	Very high	97.4	Very high	74 Å²	74	56.9 Å²	56.9	45%	0.454	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3.1	179.8	73	0	0	0	0	113.7	D449 L453 Q454 S455	D449-T451 PolarHBondContact O-N 3.38Å; D449-T451 WeakPolarHBondContact OD1-CA 3.2Å; D449-T451 WeakPolarHBondContact OD1-CB 3.32Å; D449-T451 PolarHBondContact OD1-N 2.95Å; D449-T451 PolarHBondContact OD1-OG1 2.97Å; T451-L453 VanDerWaalsContact C-N 3.31Å; T451-L453 PolarHBondContact O-N 2.89Å; T451-Q454 VanDerWaalsContact C-OE1 3.28Å; T451-Q454 VanDerWaalsContact CA-OE1 3.27Å; T451-Q454 PolarHBondContact O-N 3.35Å; T451-Q454 PolarHBondContact O-OE1 2.62Å; T451-S455 PolarHBondContact O-N 3.24Å; T451-S455 PolarHBondContact O-OG 3.34Å; T451-S455 VanDerWaalsContact O-OG 3.05Å
452	I	97.6	Very high	97.4	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-41	-177.3	-167.9	171.6	0	0	0	112.6	F442 E445 W446 D449 S455 F456	F442-I452 HydrophobicContact CE2-CG2 4.42Å; E445-I452 HydrophobicContact CB-CD1 3.97Å; W446-I452 HydrophobicContact CB-CG2 4.26Å; W446-I452 HydrophobicContact CG-CG2 4.46Å; D449-I452 WeakPolarHBondContact O-CB 3.44Å; D449-I452 WeakPolarHBondContact O-CG2 3.41Å; D449-I452 PolarHBondContact O-N 2.95Å; D449-I452 VanDerWaalsContact O-N 3.16Å; I452-S455 WeakPolarHBondContact O-CB 3.28Å; I452-S455 PolarHBondContact O-N 2.92Å; I452-F456 HydrophobicContact CG1-CD2 4.23Å; I452-F456 HydrophobicContact CG1-CE2 4.02Å; I452-F456 VanDerWaalsContact O-CD2 3.25Å; I452-F456 WeakPolarHBondContact O-CD2 3.25Å; I452-F456 PolarHBondContact O-N 3.49Å
453	L	98.2	Very high	97.4	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-42.2	-179.7	-65.7	175.2	0	0	0	111.3	V312 I315 V316 L319 F388 V393 F442 T451 S455 F456 V457	V312-L453 HydrophobicContact CG1-CD2 4.38Å; I315-L453 HydrophobicContact CG2-CD2 4.2Å; V316-L453 HydrophobicContact CG2-CB 4.38Å; V316-L453 HydrophobicContact CG2-CD2 3.57Å; L319-L453 HydrophobicContact CD1-CD1 3.9Å; F388-L453 HydrophobicContact CD2-CB 3.78Å; F388-L453 HydrophobicContact CD2-CD1 3.94Å; F388-L453 HydrophobicContact CE2-CB 3.89Å; V393-L453 HydrophobicContact CG1-CD1 4.39Å; V393-L453 HydrophobicContact CG2-CD1 3.81Å; F442-L453 HydrophobicContact CE2-CD2 3.69Å; F442-L453 HydrophobicContact CE2-CG 4.29Å; F442-L453 HydrophobicContact CZ-CD1 4.22Å; F442-L453 HydrophobicContact CZ-CD2 3.81Å; F442-L453 HydrophobicContact CZ-CG 4.2Å; T451-L453 VanDerWaalsContact C-N 3.31Å; T451-L453 PolarHBondContact O-N 2.89Å; L453-S455 VanDerWaalsContact C-N 3.33Å; L453-F456 WeakPolarHBondContact O-CB 3.45Å; L453-F456 PolarHBondContact O-N 3.4Å; L453-V457 WeakPolarHBondContact O-CG2 3.38Å; L453-V457 PolarHBondContact O-N 3.43Å
454	Q	98.3	Very high	97.5	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-40.3	176.5	-62.4	87.5	-35.5	0	0	110.6	P450 T451 F456 V457 Q458	P450-Q454 PolarHBondContact O-OE1 3.48Å; T451-Q454 VanDerWaalsContact C-OE1 3.28Å; T451-Q454 VanDerWaalsContact CA-OE1 3.27Å; T451-Q454 PolarHBondContact O-N 3.35Å; T451-Q454 PolarHBondContact O-OE1 2.62Å; Q454-F456 VanDerWaalsContact C-N 3.29Å; Q454-F456 PolarHBondContact O-N 2.99Å; Q454-V457 PolarHBondContact O-N 3.16Å; Q454-V457 VanDerWaalsContact O-N 3.14Å; Q454-Q458 PolarHBondContact O-N 2.57Å
455	S	98.4	Very high	97.5	Very high	59 Å²	59	54.5 Å²	54.5	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-39.4	174.9	-62.5	0	0	0	0	111.7	T451 I452 L453 Q458 Q459	T451-S455 PolarHBondContact O-N 3.24Å; T451-S455 PolarHBondContact O-OG 3.34Å; T451-S455 VanDerWaalsContact O-OG 3.05Å; I452-S455 WeakPolarHBondContact O-CB 3.28Å; I452-S455 PolarHBondContact O-N 2.92Å; L453-S455 VanDerWaalsContact C-N 3.33Å; S455-Q458 PolarHBondContact O-N 2.91Å; S455-Q459 VanDerWaalsContact O-CB 3.28Å; S455-Q459 WeakPolarHBondContact O-CB 3.33Å; S455-Q459 PolarHBondContact O-N 2.96Å
456	F	98.5	Very high	97.5	Very high	26 Å²	26	51.6 Å²	51.6	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-42.6	172.9	-88.6	-121.7	0	0	0	111.9	K309 V312 L313 V316 I452 L453 Q454 Q458 Q459 F460	K309-F456 HydrophobicContact CG-CE1 3.78Å; K309-F456 HydrophobicContact CG-CZ 4.16Å; V312-F456 HydrophobicContact CB-CD1 4.39Å; V312-F456 HydrophobicContact CB-CE1 3.73Å; V312-F456 HydrophobicContact CB-CZ 3.97Å; V312-F456 HydrophobicContact CG1-CD1 3.85Å; V312-F456 HydrophobicContact CG1-CD2 4.34Å; V312-F456 HydrophobicContact CG1-CE1 3.56Å; V312-F456 HydrophobicContact CG1-CE2 4.08Å; V312-F456 HydrophobicContact CG1-CG 4.23Å; V312-F456 HydrophobicContact CG1-CZ 3.68Å; L313-F456 HydrophobicContact CD2-CD1 3.84Å; L313-F456 HydrophobicContact CG-CD1 3.9Å; L313-F456 HydrophobicContact CG-CE1 4.11Å; V316-F456 HydrophobicContact CG2-CB 4.05Å; I452-F456 HydrophobicContact CG1-CD2 4.23Å; I452-F456 HydrophobicContact CG1-CE2 4.02Å; I452-F456 VanDerWaalsContact O-CD2 3.25Å; I452-F456 WeakPolarHBondContact O-CD2 3.25Å; I452-F456 PolarHBondContact O-N 3.49Å; L453-F456 WeakPolarHBondContact O-CB 3.45Å; L453-F456 PolarHBondContact O-N 3.4Å; Q454-F456 VanDerWaalsContact C-N 3.29Å; Q454-F456 PolarHBondContact O-N 2.99Å; F456-Q458 PolarHBondContact O-N 3.25Å; F456-Q459 PolarHBondContact O-N 3.19Å; F456-F460 HydrophobicContact CB-CD2 4.22Å; F456-F460 AromaticContact CD1-CD2 3.88Å; F456-F460 HydrophobicContact CD1-CD2 3.88Å; F456-F460 AromaticContact CD1-CE2 3.75Å; F456-F460 HydrophobicContact CD1-CE2 3.75Å; F456-F460 HydrophobicContact CE1-CE2 4.03Å; F456-F460 HydrophobicContact CG-CD2 4.15Å; F456-F460 HydrophobicContact CG-CE2 4.11Å; F456-F460 WeakPolarHBondContact O-CB 3.37Å; F456-F460 WeakPolarHBondContact O-CD2 3.41Å; F456-F460 PolarHBondContact O-N 3.45Å
457	V	98.7	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-46.4	176.6	173.7	0	0	0	0	111.2	V316 L320 L380 V383 V384 F388 L453 Q454 F461 L462	V316-V457 HydrophobicContact CG1-CG2 3.63Å; L320-V457 HydrophobicContact CD1-CG2 4.37Å; L380-V457 HydrophobicContact CB-CG1 4.18Å; L380-V457 HydrophobicContact CD2-CG1 4.1Å; V383-V457 HydrophobicContact CG1-CG1 4.46Å; V383-V457 HydrophobicContact CG1-CG2 4.16Å; V384-V457 HydrophobicContact CG2-CB 3.89Å; V384-V457 HydrophobicContact CG2-CG1 3.59Å; F388-V457 HydrophobicContact CE2-CG2 4.11Å; F388-V457 HydrophobicContact CZ-CG2 4.09Å; L453-V457 WeakPolarHBondContact O-CG2 3.38Å; L453-V457 PolarHBondContact O-N 3.43Å; Q454-V457 PolarHBondContact O-N 3.16Å; Q454-V457 VanDerWaalsContact O-N 3.14Å; V457-F461 HydrophobicContact CB-CD2 4.25Å; V457-F461 HydrophobicContact CG1-CD2 4.11Å; V457-F461 HydrophobicContact CG2-CD2 4.36Å; V457-F461 HydrophobicContact CG2-CE2 4.34Å; V457-F461 WeakPolarHBondContact O-CB 3.48Å; V457-F461 PolarHBondContact O-N 3.08Å; V457-F461 VanDerWaalsContact O-N 3.16Å; V457-L462 PolarHBondContact O-N 2.88Å
458	Q	98.7	Very high	97.7	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	25%	0.249	S	C	.	.	I	π-helix	trans	-59.2	-52.8	177	-176.1	66.8	54.6	0	0	111	V384 Q454 S455 F456 L462 D463	V384-Q458 HydrophobicContact CG2-CB 4.18Å; Q454-Q458 PolarHBondContact O-N 2.57Å; S455-Q458 PolarHBondContact O-N 2.91Å; F456-Q458 PolarHBondContact O-N 3.25Å; Q458-L462 PolarHBondContact O-N 3.38Å; Q458-D463 VanDerWaalsContact NE2-CG 3.34Å; Q458-D463 PolarHBondContact NE2-OD1 3.13Å; Q458-D463 PolarHBondContact NE2-OD2 2.85Å; Q458-D463 WeakPolarHBondContact O-CB 3.42Å; Q458-D463 PolarHBondContact O-N 3.47Å
459	Q	98.1	Very high	97.8	Very high	110 Å²	110	42.5 Å²	42.5	51%	0.514	22%	0.221	S	C	.	.	I	π-helix	trans	-67.6	-48.2	-173.8	-179.9	-179.3	2.5	0	0	113.1	S455 F456	S455-Q459 VanDerWaalsContact O-CB 3.28Å; S455-Q459 WeakPolarHBondContact O-CB 3.33Å; S455-Q459 PolarHBondContact O-N 2.96Å; F456-Q459 PolarHBondContact O-N 3.19Å
460	F	98.1	Very high	97.9	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.075	20%	0.204	C	C	.	.	I	π-helix	trans	-93.6	-12.7	-168.1	-66.9	-71.1	0	0	0	114	L301 V302 K309 L313 F456 N464	L301-F460 HydrophobicContact CD2-CB 4.03Å; V302-F460 HydrophobicContact CG1-CD1 4.14Å; V302-F460 HydrophobicContact CG1-CE1 3.4Å; V302-F460 VanDerWaalsContact CG1-CE1 3.4Å; V302-F460 HydrophobicContact CG1-CZ 3.98Å; K309-F460 HydrophobicContact CD-CE1 4.46Å; K309-F460 HydrophobicContact CD-CE2 4.4Å; K309-F460 HydrophobicContact CD-CZ 3.74Å; K309-F460 HydrophobicContact CG-CZ 4.43Å; L313-F460 HydrophobicContact CD2-CB 4.12Å; L313-F460 HydrophobicContact CD2-CD2 3.78Å; L313-F460 HydrophobicContact CD2-CE2 4.46Å; L313-F460 HydrophobicContact CD2-CG 3.96Å; F456-F460 HydrophobicContact CB-CD2 4.22Å; F456-F460 AromaticContact CD1-CD2 3.88Å; F456-F460 HydrophobicContact CD1-CD2 3.88Å; F456-F460 AromaticContact CD1-CE2 3.75Å; F456-F460 HydrophobicContact CD1-CE2 3.75Å; F456-F460 HydrophobicContact CE1-CE2 4.03Å; F456-F460 HydrophobicContact CG-CD2 4.15Å; F456-F460 HydrophobicContact CG-CE2 4.11Å; F456-F460 WeakPolarHBondContact O-CB 3.37Å; F456-F460 WeakPolarHBondContact O-CD2 3.41Å; F456-F460 PolarHBondContact O-N 3.45Å; F460-N464 WeakPolarHBondContact O-CB 3.39Å; F460-N464 PolarHBondContact O-ND2 3.35Å
461	F	98.2	Very high	98.1	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.182	C	C	.	.	I	π-helix	trans	-124.2	-57.1	179.6	-46.8	-53.7	0	0	0	113.3	F299 L301 L313 V316 L320 F357 L380 V457 N464	F299-F461 HydrophobicContact CB-CD1 4.26Å; F299-F461 HydrophobicContact CD1-CB 4.4Å; F299-F461 HydrophobicContact CD1-CD1 4.28Å; F299-F461 HydrophobicContact CD2-CD1 4.07Å; F299-F461 HydrophobicContact CE1-CB 4.1Å; F299-F461 WeakPolarHBondContact CE1-O 3.27Å; F299-F461 HydrophobicContact CE2-CD1 4.47Å; F299-F461 AromaticContact CG-CD1 3.96Å; F299-F461 HydrophobicContact CG-CD1 3.96Å; F299-F461 HydrophobicContact CZ-CB 4.27Å; L301-F461 HydrophobicContact CD2-CD1 4.31Å; L301-F461 HydrophobicContact CD2-CE1 3.72Å; L313-F461 HydrophobicContact CD2-CZ 4.49Å; V316-F461 HydrophobicContact CG1-CE2 3.75Å; V316-F461 HydrophobicContact CG1-CZ 4.34Å; L320-F461 HydrophobicContact CD1-CD2 4.1Å; L320-F461 HydrophobicContact CD1-CE2 3.6Å; L320-F461 HydrophobicContact CD1-CZ 4.31Å; F357-F461 HydrophobicContact CB-CE1 3.79Å; F357-F461 HydrophobicContact CB-CZ 4.46Å; F357-F461 AromaticContact CD1-CD1 3.95Å; F357-F461 HydrophobicContact CD1-CD1 3.95Å; F357-F461 AromaticContact CD1-CE1 3.45Å; F357-F461 HydrophobicContact CD1-CE1 3.45Å; F357-F461 VanDerWaalsContact CD1-CE1 3.45Å; F357-F461 AromaticContact CD1-CZ 3.9Å; F357-F461 HydrophobicContact CD1-CZ 3.9Å; F357-F461 HydrophobicContact CE1-CE1 4.29Å; F357-F461 HydrophobicContact CE1-CZ 4.4Å; F357-F461 AromaticContact CG-CE1 3.87Å; F357-F461 HydrophobicContact CG-CE1 3.87Å; F357-F461 HydrophobicContact CG-CZ 4.26Å; L380-F461 HydrophobicContact CD1-CB 3.69Å; L380-F461 HydrophobicContact CD1-CG 4.46Å; V457-F461 HydrophobicContact CB-CD2 4.25Å; V457-F461 HydrophobicContact CG1-CD2 4.11Å; V457-F461 HydrophobicContact CG2-CD2 4.36Å; V457-F461 HydrophobicContact CG2-CE2 4.34Å; V457-F461 WeakPolarHBondContact O-CB 3.48Å; V457-F461 PolarHBondContact O-N 3.08Å; V457-F461 VanDerWaalsContact O-N 3.16Å; F461-N464 PolarHBondContact O-N 3.49Å
462	L	98.1	Very high	98.2	Very high	29 Å²	29	32.4 Å²	32.4	15%	0.152	16%	0.161	C	C	.	.	I	π-helix	trans	-68.2	-49.3	-176	-70.4	176.3	0	0	0	112.2	L380 V384 V457 Q458 N464	L380-L462 HydrophobicContact CB-CD2 3.74Å; L380-L462 HydrophobicContact CB-CG 4.08Å; L380-L462 HydrophobicContact CD1-CD2 4.44Å; V384-L462 HydrophobicContact CB-CD1 4.46Å; V384-L462 HydrophobicContact CG2-CD1 3.77Å; V457-L462 PolarHBondContact O-N 2.88Å; Q458-L462 PolarHBondContact O-N 3.38Å; L462-N464 PolarHBondContact O-N 3.15Å
463	D	97.8	Very high	98.2	Very high	99 Å²	99	35 Å²	35	53%	0.529	17%	0.169	S	C	.	.	S	Bend	trans	-79.9	-7.6	180	-66.1	-19	0	0	0	113	Q458 K465	Q458-D463 VanDerWaalsContact NE2-CG 3.34Å; Q458-D463 PolarHBondContact NE2-OD1 3.13Å; Q458-D463 PolarHBondContact NE2-OD2 2.85Å; Q458-D463 WeakPolarHBondContact O-CB 3.42Å; Q458-D463 PolarHBondContact O-N 3.47Å; D463-K465 PolarHBondContact O-N 3.08Å
464	N	97.7	Very high	98	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	18%	0.179	C	C	.	.			trans	-76	114.1	-173.6	-168.4	-10.2	0	0	0	111.9	F299 R300 F460 F461 L462 H466 K467	F299-N464 HydrophobicContact CD1-CB 4.31Å; R300-N464 PolarHBondContact O-ND2 3.18Å; F460-N464 WeakPolarHBondContact O-CB 3.39Å; F460-N464 PolarHBondContact O-ND2 3.35Å; F461-N464 PolarHBondContact O-N 3.49Å; L462-N464 PolarHBondContact O-N 3.15Å; N464-H466 WeakPolarHBondContact OD1-CA 3.46Å; N464-H466 PolarHBondContact OD1-N 3.26Å; N464-K467 WeakPolarHBondContact O-CD 3.33Å
465	K	97.3	Very high	97.9	Very high	126 Å²	126	36.7 Å²	36.7	55%	0.548	18%	0.181	S	C	.	.			trans	-82.2	-22	177.6	-59.9	-178.5	-176	179.1	0	112.9	D271 K272 P273 D463 K467	D271-K465 WeakPolarHBondContact O-CD 3.41Å; K272-K465 CarbonylContact C-O 3.59Å; P273-K465 VanDerWaalsContact N-O 3.17Å; D463-K465 PolarHBondContact O-N 3.08Å; K465-K467 PolarHBondContact O-N 3.49Å
466	H	98.2	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.			trans	-87	68.1	176.8	-162.5	135.6	0	0	0	109.7	L193 C268 M269 W270 R300 N464	L193-H466 PolarHBondContact O-NE2 3Å; C268-H466 PolarHBondContact O-CE1 3.34Å; C268-H466 PolarHBondContact O-ND1 3.02Å; M269-H466 HydrophobicContact CE-CB 4.43Å; M269-H466 HydrophobicContact SD-CB 4.07Å; W270-H466 HydrophobicContact CB-CB 4.25Å; W270-H466 AromaticContact CD1-CE1 3.31Å; W270-H466 AromaticContact CD1-ND1 3.43Å; W270-H466 AromaticContact CD1-NE2 3.95Å; W270-H466 AromaticContact CD2-CD2 3.55Å; W270-H466 AromaticContact CD2-CE1 3.67Å; W270-H466 AromaticContact CD2-CG 3.72Å; W270-H466 AromaticContact CD2-ND1 3.8Å; W270-H466 AromaticContact CD2-NE2 3.53Å; W270-H466 AromaticContact CE2-CD2 3.67Å; W270-H466 AromaticContact CE2-CE1 3.33Å; W270-H466 AromaticContact CE2-ND1 3.94Å; W270-H466 AromaticContact CE2-NE2 3.14Å; W270-H466 AromaticContact CE3-CD2 3.66Å; W270-H466 HydrophobicContact CG-CB 4.43Å; W270-H466 AromaticContact CG-CE1 3.68Å; W270-H466 AromaticContact CG-CG 3.77Å; W270-H466 AromaticContact CG-ND1 3.5Å; W270-H466 AromaticContact CH2-NE2 3.84Å; W270-H466 AromaticContact CZ2-CD2 3.91Å; W270-H466 AromaticContact CZ2-CE1 3.94Å; W270-H466 AromaticContact CZ2-NE2 3.32Å; W270-H466 VanDerWaalsContact CZ2-NE2 3.32Å; W270-H466 WeakPolarHBondContact CZ2-NE2 3.06Å; W270-H466 AromaticContact CZ3-CD2 3.89Å; W270-H466 PolarHBondContact N-ND1 2.89Å; W270-H466 VanDerWaalsContact N-ND1 3.19Å; W270-H466 AromaticContact NE1-CE1 3.09Å; W270-H466 PolarHBondContact NE1-CE1 2.89Å; W270-H466 AromaticContact NE1-ND1 3.72Å; W270-H466 AromaticContact NE1-NE2 3.44Å; W270-H466 PolarHBondContact NE1-NE2 3.13Å; R300-H466 HydrophobicContact CB-CB 3.96Å; R300-H466 WeakPolarHBondContact CB-CD2 3.35Å; R300-H466 WeakPolarHBondContact CD-CE1 3.31Å; R300-H466 WeakPolarHBondContact CD-ND1 3.27Å; R300-H466 PolarHBondContact N-O 3.3Å; N464-H466 WeakPolarHBondContact OD1-CA 3.46Å; N464-H466 PolarHBondContact OD1-N 3.26Å
467	K	98	Very high	97.4	Very high	46 Å²	46	42.7 Å²	42.7	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.2	174.3	64.6	-170.9	176.9	-171.6	0	111.6	P273 R274 L297 S298 F299 N464 K465	P273-K467 VanDerWaalsContact CA-O 3.29Å; P273-K467 WeakPolarHBondContact CA-O 3.24Å; P273-K467 HydrophobicContact CB-CG 3.85Å; P273-K467 HydrophobicContact CG-CD 4.33Å; P273-K467 HydrophobicContact CG-CG 3.81Å; R274-K467 PolarHBondContact N-O 3.03Å; R274-K467 VanDerWaalsContact N-O 3.1Å; L297-K467 HydrophobicContact CD1-CB 4.19Å; L297-K467 HydrophobicContact CD1-CD 4.27Å; L297-K467 HydrophobicContact CD1-CG 4.3Å; S298-K467 CarbonylContact O-C 3.6Å; S298-K467 VanDerWaalsContact O-CA 3.22Å; S298-K467 WeakPolarHBondContact O-CA 3.02Å; F299-K467 HydrophobicContact CD1-CB 3.71Å; F299-K467 HydrophobicContact CD1-CD 4.28Å; F299-K467 HydrophobicContact CE1-CB 3.94Å; F299-K467 HydrophobicContact CE1-CD 3.74Å; F299-K467 HydrophobicContact CG-CB 4.44Å; N464-K467 WeakPolarHBondContact O-CD 3.33Å; K465-K467 PolarHBondContact O-N 3.49Å
468	L	98.6	Very high	97	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125	-177.6	179.3	67.2	0	0	0	109.4	I189 N192 L193 W270 R274 V276 L297 S298	I189-L468 HydrophobicContact CG2-CD2 4.42Å; N192-L468 HydrophobicContact CB-CD1 4.39Å; N192-L468 HydrophobicContact CB-CD2 3.7Å; L193-L468 HydrophobicContact CB-CD2 4.23Å; L193-L468 HydrophobicContact CD1-CB 3.92Å; W270-L468 HydrophobicContact CH2-CB 4.29Å; W270-L468 HydrophobicContact CH2-CD1 4.42Å; W270-L468 HydrophobicContact CZ3-CB 4.19Å; R274-L468 HydrophobicContact CB-CD1 3.94Å; V276-L468 HydrophobicContact CB-CD1 4.43Å; V276-L468 HydrophobicContact CG2-CD1 3.84Å; L297-L468 WeakPolarHBondContact CA-O 3.31Å; S298-L468 PolarHBondContact N-O 3.13Å; S298-L468 PolarHBondContact O-N 3.42Å
469	I	98.7	Very high	96.4	Very high	34 Å²	34	44.8 Å²	44.8	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.7	167.8	-57.9	155.7	0	0	0	107.1	R274 L275 V276 S296 L297 P373 V471	R274-I469 PolarHBondContact O-N 3.4Å; L275-I469 CarbonylContact C-O 3.48Å; L275-I469 VanDerWaalsContact CA-O 3.3Å; L275-I469 WeakPolarHBondContact CA-O 3.47Å; L275-I469 HydrophobicContact CD1-CB 3.87Å; L275-I469 HydrophobicContact CD1-CG2 3.63Å; V276-I469 PolarHBondContact N-O 2.78Å; S296-I469 WeakPolarHBondContact O-CA 3.24Å; L297-I469 HydrophobicContact CD1-CG1 3.7Å; P373-I469 HydrophobicContact CB-CD1 4.15Å; P373-I469 HydrophobicContact CB-CG1 4.46Å; P373-I469 HydrophobicContact CG-CD1 3.56Å; P373-I469 HydrophobicContact CG-CG1 3.87Å; P373-I469 HydrophobicContact CG-CG2 4.35Å; I469-V471 HydrophobicContact CG2-CG2 4.31Å
470	T	98.7	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.9	176.8	-55.1	0	0	0	0	109.5	F185 I189 V276 L278 V295 S296	F185-T470 HydrophobicContact CD2-CG2 4.07Å; F185-T470 HydrophobicContact CE2-CG2 3.55Å; F185-T470 HydrophobicContact CZ-CG2 4.08Å; I189-T470 HydrophobicContact CG1-CG2 4Å; I189-T470 WeakPolarHBondContact CG1-OG1 3.34Å; V276-T470 HydrophobicContact CB-CG2 4.44Å; V276-T470 HydrophobicContact CG1-CG2 4.41Å; V276-T470 WeakPolarHBondContact O-CA 3.36Å; L278-T470 HydrophobicContact CD2-CG2 3.56Å; V295-T470 CarbonylContact C-O 3.58Å; V295-T470 VanDerWaalsContact CA-O 3.3Å; V295-T470 WeakPolarHBondContact CA-O 3.42Å; S296-T470 PolarHBondContact N-O 3.01Å; S296-T470 PolarHBondContact O-N 2.94Å
471	V	98.6	Very high	95.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.3	-178.2	176.6	0	0	0	0	109.9	L275 V276 Q277 L278 V295 L369 I469 R473	L275-V471 HydrophobicContact CD1-CG2 4.27Å; V276-V471 PolarHBondContact O-N 3.29Å; Q277-V471 WeakPolarHBondContact CA-O 3.46Å; Q277-V471 HydrophobicContact CG-CB 4.42Å; L278-V471 WeakPolarHBondContact CD2-O 3.29Å; L278-V471 PolarHBondContact N-O 2.86Å; V295-V471 HydrophobicContact CG2-CG2 3.88Å; L369-V471 HydrophobicContact CD1-CG1 3.75Å; L369-V471 HydrophobicContact CD2-CG1 4.17Å; L369-V471 HydrophobicContact CG-CG1 4.42Å; I469-V471 HydrophobicContact CG2-CG2 4.31Å; V471-R473 HydrophobicContact CG1-CG 4.24Å; V471-R473 VanDerWaalsContact CG1-NH1 3.34Å
472	M	98.1	Very high	95.4	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.6	174.1	-177.4	169.5	75.2	0	0	110.8	L182 F185 L278 C280 C293 C294	L182-M472 HydrophobicContact CD2-CE 4.26Å; F185-M472 HydrophobicContact CB-CE 3.98Å; F185-M472 HydrophobicContact CB-SD 4.08Å; F185-M472 HydrophobicContact CD2-CB 3.62Å; F185-M472 HydrophobicContact CD2-CE 4.21Å; F185-M472 HydrophobicContact CD2-CG 4.48Å; F185-M472 HydrophobicContact CD2-SD 4.09Å; F185-M472 HydrophobicContact CE2-CB 3.84Å; F185-M472 HydrophobicContact CG-CE 4.32Å; L278-M472 HydrophobicContact CD1-CB 4.38Å; L278-M472 HydrophobicContact CD1-CG 4.19Å; L278-M472 HydrophobicContact CD1-SD 3.79Å; L278-M472 HydrophobicContact CD2-CB 3.94Å; L278-M472 HydrophobicContact CG-CB 3.79Å; L278-M472 HydrophobicContact CG-CG 3.85Å; L278-M472 HydrophobicContact CG-SD 4.14Å; L278-M472 VanDerWaalsContact O-CA 3.31Å; L278-M472 WeakPolarHBondContact O-CA 3.25Å; C280-M472 HydrophobicContact CB-CE 4.18Å; C280-M472 HydrophobicContact CB-CG 3.88Å; C280-M472 HydrophobicContact CB-SD 3.72Å; C293-M472 WeakPolarHBondContact CA-O 3.45Å; C294-M472 HydrophobicContact CB-CB 4.19Å; C294-M472 HydrophobicContact CB-CE 4.1Å; C294-M472 PolarHBondContact N-O 3.48Å; C294-M472 PolarHBondContact O-N 3.45Å
473	R	97.5	Very high	95	Very high	73 Å²	73	48 Å²	48	28%	0.275	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.6	-179.4	-63.1	-175.4	175.4	84.2	-1.7	111.1	L278 T279 C280 L369 V471	L278-R473 PolarHBondContact O-N 2.89Å; L278-R473 VanDerWaalsContact O-N 3.11Å; T279-R473 CarbonylContact C-O 3.55Å; T279-R473 WeakPolarHBondContact CA-O 3.27Å; C280-R473 PolarHBondContact N-O 2.99Å; L369-R473 HydrophobicContact CD1-CG 4.35Å; L369-R473 VanDerWaalsContact CD1-NH2 3.34Å; V471-R473 HydrophobicContact CG1-CG 4.24Å; V471-R473 VanDerWaalsContact CG1-NH1 3.34Å
474	P	94.6	Very high	94.8	Very high	32 Å²	32	48.8 Å²	48.8	21%	0.208	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.5	168.1	32	-39.4	0	0	0	110.3	C280 P282 E292	C280-P474 CarbonylContact O-C 3.59Å; C280-P474 WeakPolarHBondContact O-CA 3.35Å; P282-P474 HydrophobicContact CB-CB 4.31Å; P282-P474 HydrophobicContact CG-CB 4.14Å; E292-P474 HydrophobicContact CB-CB 4.3Å; E292-P474 HydrophobicContact CB-CG 3.59Å; E292-P474 HydrophobicContact CG-CG 4.43Å
475	D	94.8	Very high	94.5	Very high	35 Å²	35	53.4 Å²	53.4	19%	0.187	27%	0.273	C	S	.	.			trans	-126.4	115.7	169.8	178.7	-2.6	0	0	0	109	T279 C280 P282 N477 W478 I481	T279-D475 HydrophobicContact CG2-CB 4.05Å; C280-D475 PolarHBondContact O-N 3.41Å; P282-D475 WeakPolarHBondContact CD-O 3.29Å; D475-N477 PolarHBondContact O-N 3.12Å; D475-N477 VanDerWaalsContact O-N 3.08Å; D475-N477 WeakPolarHBondContact OD1-CB 3.43Å; D475-N477 PolarHBondContact OD1-N 3.42Å; D475-N477 PolarHBondContact OD1-ND2 2.86Å; D475-W478 HydrophobicContact CB-CB 4.13Å; D475-W478 WeakPolarHBondContact O-CB 3.18Å; D475-W478 PolarHBondContact O-N 3.18Å; D475-I481 WeakPolarHBondContact OD2-CD1 3.28Å
476	P	91.7	Very high	94.2	Very high	113 Å²	113	50.6 Å²	50.6	73%	0.734	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.7	177	-25.9	34.9	0	0	0	114.2
477	N	94.1	Very high	94	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.4	178	-55.4	-65.8	0	0	0	112.9	D475 R479 S480 I481	D475-N477 PolarHBondContact O-N 3.12Å; D475-N477 VanDerWaalsContact O-N 3.08Å; D475-N477 WeakPolarHBondContact OD1-CB 3.43Å; D475-N477 PolarHBondContact OD1-N 3.42Å; D475-N477 PolarHBondContact OD1-ND2 2.86Å; N477-R479 VanDerWaalsContact C-N 3.32Å; N477-R479 PolarHBondContact O-N 3.37Å; N477-S480 WeakPolarHBondContact O-CB 3.32Å; N477-S480 PolarHBondContact O-N 3.36Å; N477-S480 PolarHBondContact O-OG 3.2Å; N477-I481 HydrophobicContact CB-CD1 4.11Å; N477-I481 HydrophobicContact CB-CG1 4.48Å; N477-I481 WeakPolarHBondContact O-CG1 3.17Å; N477-I481 PolarHBondContact O-N 3.24Å
478	W	92.2	Very high	93.8	Very high	18 Å²	18	58.8 Å²	58.8	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-53	-47.2	-171.6	-171.7	96.5	0	0	0	112.8	R184 T279 C280 E281 D475 S480 I481 E482	R184-W478 VanDerWaalsContact CZ-CH2 3.49Å; T279-W478 PolarHBondContact O-NE1 2.97Å; C280-W478 VanDerWaalsContact C-CG 3.5Å; E281-W478 HydrophobicContact CB-CD2 4.12Å; E281-W478 HydrophobicContact CB-CE3 3.73Å; E281-W478 HydrophobicContact CB-CZ3 4.12Å; E281-W478 HydrophobicContact CG-CE3 4.26Å; D475-W478 HydrophobicContact CB-CB 4.13Å; D475-W478 WeakPolarHBondContact O-CB 3.18Å; D475-W478 PolarHBondContact O-N 3.18Å; W478-S480 VanDerWaalsContact C-N 3.3Å; W478-S480 PolarHBondContact O-N 3.44Å; W478-I481 WeakPolarHBondContact O-CB 3.43Å; W478-I481 PolarHBondContact O-N 2.94Å; W478-I481 VanDerWaalsContact O-N 3.09Å; W478-E482 HydrophobicContact CD2-CG 3.61Å; W478-E482 HydrophobicContact CE3-CB 4.29Å; W478-E482 HydrophobicContact CE3-CG 3.67Å; W478-E482 HydrophobicContact CG-CG 4.42Å; W478-E482 HydrophobicContact CH2-CG 3.73Å; W478-E482 HydrophobicContact CZ2-CG 3.67Å; W478-E482 HydrophobicContact CZ3-CB 4.22Å; W478-E482 HydrophobicContact CZ3-CG 3.71Å; W478-E482 WeakPolarHBondContact O-CG 3.48Å; W478-E482 PolarHBondContact O-N 2.86Å
479	R	85.5	Confident	93.6	Very high	91 Å²	91	59.6 Å²	59.6	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-55.9	-45	176.8	-75.9	-173.3	-179.9	163.6	7.1	112.3	E281 N477 I481 E482 A483 D987	E281-R479 HydrophobicContact CG-CG 4.02Å; E281-R479 IonicContact OE1-CZ 3.39Å; E281-R479 IonicContact OE1-NE 2.73Å; E281-R479 PolarHBondContact OE1-NE 2.98Å; E281-R479 IonicContact OE1-NH2 3.16Å; E281-R479 PolarHBondContact OE1-NH2 3.05Å; E281-R479 WeakPolarHBondContact OE2-CG 3.38Å; E281-R479 IonicContact OE2-NE 2.72Å; E281-R479 PolarHBondContact OE2-NE 3.29Å; N477-R479 VanDerWaalsContact C-N 3.32Å; N477-R479 PolarHBondContact O-N 3.37Å; R479-I481 VanDerWaalsContact C-N 3.31Å; R479-I481 PolarHBondContact O-N 3.44Å; R479-E482 PolarHBondContact O-N 3.08Å; R479-A483 WeakPolarHBondContact O-CB 3.31Å; R479-A483 PolarHBondContact O-N 3.17Å; R479-D987 IonicContact NH1-OD2 3.5Å; R479-D987 PolarHBondContact NH1-OD2 2.94Å
480	S	91.2	Very high	93.3	Very high	72 Å²	72	60.2 Å²	60.2	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-35	180	72	0	0	0	0	111.8	N477 W478 K484	N477-S480 WeakPolarHBondContact O-CB 3.32Å; N477-S480 PolarHBondContact O-N 3.36Å; N477-S480 PolarHBondContact O-OG 3.2Å; W478-S480 VanDerWaalsContact C-N 3.3Å; W478-S480 PolarHBondContact O-N 3.44Å; S480-K484 VanDerWaalsContact O-CB 3.26Å; S480-K484 WeakPolarHBondContact O-CB 3.22Å; S480-K484 PolarHBondContact O-N 3.15Å; S480-K484 VanDerWaalsContact O-N 3.1Å
481	I	92.7	Very high	93.1	Very high	63 Å²	63	64.3 Å²	64.3	32%	0.323	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-47.1	176.1	-66.2	165.4	0	0	0	110.1	D475 N477 W478 R479 K484 K485	D475-I481 WeakPolarHBondContact OD2-CD1 3.28Å; N477-I481 HydrophobicContact CB-CD1 4.11Å; N477-I481 HydrophobicContact CB-CG1 4.48Å; N477-I481 WeakPolarHBondContact O-CG1 3.17Å; N477-I481 PolarHBondContact O-N 3.24Å; W478-I481 WeakPolarHBondContact O-CB 3.43Å; W478-I481 PolarHBondContact O-N 2.94Å; W478-I481 VanDerWaalsContact O-N 3.09Å; R479-I481 VanDerWaalsContact C-N 3.31Å; R479-I481 PolarHBondContact O-N 3.44Å; I481-K484 PolarHBondContact O-N 3.45Å; I481-K485 WeakPolarHBondContact O-CG 3.39Å; I481-K485 PolarHBondContact O-N 2.87Å
482	E	89.6	Confident	92.9	Very high	30 Å²	30	70.2 Å²	70.2	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-42.6	-179.8	-68	-66.9	106.9	0	0	112.2	R184 W478 R479 K484 K485 D486	R184-E482 IonicContact CZ-OE2 3.12Å; R184-E482 IonicContact NH1-OE2 3.2Å; R184-E482 PolarHBondContact NH1-OE2 3.18Å; R184-E482 IonicContact NH2-OE2 2.71Å; W478-E482 HydrophobicContact CD2-CG 3.61Å; W478-E482 HydrophobicContact CE3-CB 4.29Å; W478-E482 HydrophobicContact CE3-CG 3.67Å; W478-E482 HydrophobicContact CG-CG 4.42Å; W478-E482 HydrophobicContact CH2-CG 3.73Å; W478-E482 HydrophobicContact CZ2-CG 3.67Å; W478-E482 HydrophobicContact CZ3-CB 4.22Å; W478-E482 HydrophobicContact CZ3-CG 3.71Å; W478-E482 WeakPolarHBondContact O-CG 3.48Å; W478-E482 PolarHBondContact O-N 2.86Å; R479-E482 PolarHBondContact O-N 3.08Å; E482-K484 PolarHBondContact O-N 3.31Å; E482-K485 WeakPolarHBondContact O-CB 3.3Å; E482-K485 PolarHBondContact O-N 3.22Å; E482-K485 VanDerWaalsContact O-N 3.08Å; E482-K485 WeakPolarHBondContact OE1-CD 3.41Å; E482-K485 WeakPolarHBondContact OE1-CE 3Å; E482-K485 IonicContact OE1-NZ 3.77Å; E482-K485 PolarHBondContact OE1-NZ 3.2Å; E482-D486 PolarHBondContact O-N 3.39Å
483	A	89.4	Confident	92.7	Very high	60 Å²	60	71.6 Å²	71.6	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-39.3	174.4	0	0	0	0	0	111.5	R479 D486 E487	R479-A483 WeakPolarHBondContact O-CB 3.31Å; R479-A483 PolarHBondContact O-N 3.17Å; A483-D486 PolarHBondContact O-N 2.97Å; A483-E487 WeakPolarHBondContact O-CB 3.41Å; A483-E487 PolarHBondContact O-N 2.9Å
484	K	93.8	Very high	92.5	Very high	115 Å²	115	69.6 Å²	69.6	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-38.8	174.6	-168.6	-174.6	-176.6	-138.3	0	112.3	S480 I481 E482 E487 E488	S480-K484 VanDerWaalsContact O-CB 3.26Å; S480-K484 WeakPolarHBondContact O-CB 3.22Å; S480-K484 PolarHBondContact O-N 3.15Å; S480-K484 VanDerWaalsContact O-N 3.1Å; I481-K484 PolarHBondContact O-N 3.45Å; E482-K484 PolarHBondContact O-N 3.31Å; K484-E487 PolarHBondContact O-N 3.06Å; K484-E488 WeakPolarHBondContact CE-OE1 3.43Å; K484-E488 HydrophobicContact CG-CG 4.37Å; K484-E488 IonicContact NZ-OE1 2.8Å; K484-E488 PolarHBondContact NZ-OE1 2.87Å; K484-E488 WeakPolarHBondContact O-CB 3.34Å; K484-E488 VanDerWaalsContact O-CG 3.25Å; K484-E488 WeakPolarHBondContact O-CG 3.38Å; K484-E488 PolarHBondContact O-N 3.38Å
485	K	92	Very high	92.4	Very high	109 Å²	109	76.3 Å²	76.3	47%	0.474	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-41	173.7	-72.4	176.2	-171.1	167.2	0	111.7	I481 E482 E488 N489	I481-K485 WeakPolarHBondContact O-CG 3.39Å; I481-K485 PolarHBondContact O-N 2.87Å; E482-K485 WeakPolarHBondContact O-CB 3.3Å; E482-K485 PolarHBondContact O-N 3.22Å; E482-K485 VanDerWaalsContact O-N 3.08Å; E482-K485 WeakPolarHBondContact OE1-CD 3.41Å; E482-K485 WeakPolarHBondContact OE1-CE 3Å; E482-K485 IonicContact OE1-NZ 3.77Å; E482-K485 PolarHBondContact OE1-NZ 3.2Å; K485-E488 PolarHBondContact O-N 3.34Å; K485-N489 WeakPolarHBondContact O-CB 3.33Å; K485-N489 PolarHBondContact O-N 3.31Å
486	D	90.8	Very high	92.2	Very high	67 Å²	67	81 Å²	81	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-45.1	174.8	-84.9	1	0	0	0	110.6	K175 E482 A483 N489 L490	K175-D486 IonicContact NZ-OD2 2.66Å; K175-D486 PolarHBondContact NZ-OD2 3.32Å; E482-D486 PolarHBondContact O-N 3.39Å; A483-D486 PolarHBondContact O-N 2.97Å; D486-N489 PolarHBondContact O-N 2.99Å; D486-L490 WeakPolarHBondContact O-CB 3.23Å; D486-L490 PolarHBondContact O-N 2.9Å
487	E	92.4	Very high	92.2	Very high	118 Å²	118	77.7 Å²	77.7	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-62.7	-50.2	175.2	-173.7	178.7	-162.2	0	0	111.6	A483 K484 N489 L490 D491	A483-E487 WeakPolarHBondContact O-CB 3.41Å; A483-E487 PolarHBondContact O-N 2.9Å; K484-E487 PolarHBondContact O-N 3.06Å; E487-N489 VanDerWaalsContact C-N 3.26Å; E487-N489 PolarHBondContact O-N 3.38Å; E487-L490 PolarHBondContact O-N 2.83Å; E487-D491 WeakPolarHBondContact O-CB 3.41Å; E487-D491 PolarHBondContact O-N 3.34Å
488	E	94.9	Very high	92.2	Very high	99 Å²	99	76 Å²	76	46%	0.463	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-36.4	177.3	-74.8	173.9	-175.5	0	0	111.8	K484 K485 R492	K484-E488 WeakPolarHBondContact CE-OE1 3.43Å; K484-E488 HydrophobicContact CG-CG 4.37Å; K484-E488 IonicContact NZ-OE1 2.8Å; K484-E488 PolarHBondContact NZ-OE1 2.87Å; K484-E488 WeakPolarHBondContact O-CB 3.34Å; K484-E488 VanDerWaalsContact O-CG 3.25Å; K484-E488 WeakPolarHBondContact O-CG 3.38Å; K484-E488 PolarHBondContact O-N 3.38Å; K485-E488 PolarHBondContact O-N 3.34Å; E488-R492 VanDerWaalsContact O-CB 3.29Å; E488-R492 WeakPolarHBondContact O-CB 3.5Å; E488-R492 PolarHBondContact O-N 2.75Å
489	N	93.2	Very high	92.1	Very high	19 Å²	19	80.1 Å²	80.1	10%	0.102	41%	0.407	C	S	.	.	H	α-helix	trans	-71	-42.9	176.6	-170.7	42.1	0	0	0	111.8	K485 D486 E487 R492 L493	K485-N489 WeakPolarHBondContact O-CB 3.33Å; K485-N489 PolarHBondContact O-N 3.31Å; D486-N489 PolarHBondContact O-N 2.99Å; E487-N489 VanDerWaalsContact C-N 3.26Å; E487-N489 PolarHBondContact O-N 3.38Å; N489-R492 PolarHBondContact O-N 3.01Å; N489-R492 PolarHBondContact OD1-NE 2.71Å; N489-R492 PolarHBondContact OD1-NH2 3.49Å; N489-L493 VanDerWaalsContact O-CG 3.27Å; N489-L493 WeakPolarHBondContact O-CG 3.34Å; N489-L493 PolarHBondContact O-N 3.45Å; N489-L493 VanDerWaalsContact O-N 3.14Å
490	L	93.9	Very high	92.5	Very high	47 Å²	47	80.7 Å²	80.7	25%	0.246	42%	0.416	C	S	.	.	H	α-helix	trans	-64.5	-42.9	174.9	-177.6	62.3	0	0	0	111.2	L152 L166 D486 E487 R492 L493 T494	L152-L490 HydrophobicContact CD2-CD1 3.81Å; L166-L490 HydrophobicContact CD1-CD1 4.35Å; L166-L490 HydrophobicContact CG-CD1 4.04Å; D486-L490 WeakPolarHBondContact O-CB 3.23Å; D486-L490 PolarHBondContact O-N 2.9Å; E487-L490 PolarHBondContact O-N 2.83Å; L490-R492 PolarHBondContact O-N 3.31Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L490-T494 HydrophobicContact CD1-CG2 3.97Å; L490-T494 HydrophobicContact CG-CG2 4.4Å; L490-T494 WeakPolarHBondContact O-CB 3.48Å; L490-T494 VanDerWaalsContact O-CG2 3.28Å; L490-T494 WeakPolarHBondContact O-CG2 3.35Å; L490-T494 PolarHBondContact O-N 3.25Å; L490-T494 PolarHBondContact O-OG1 3.28Å
491	D	94.6	Very high	92.6	Very high	85 Å²	85	81.1 Å²	81.1	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-46	174.6	-83.5	-2.7	0	0	0	110.8	E487 L493 T494 K495	E487-D491 WeakPolarHBondContact O-CB 3.41Å; E487-D491 PolarHBondContact O-N 3.34Å; D491-L493 PolarHBondContact O-N 3.37Å; D491-T494 PolarHBondContact O-N 3.48Å; D491-T494 VanDerWaalsContact O-N 3.09Å; D491-K495 WeakPolarHBondContact O-CB 3.17Å; D491-K495 PolarHBondContact O-N 3.48Å
492	R	94	Very high	92.6	Very high	129 Å²	129	81.3 Å²	81.3	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-57.3	-36.9	175.9	-177.6	-174.7	64.4	79.5	-1.2	112.3	E488 N489 L490	E488-R492 VanDerWaalsContact O-CB 3.29Å; E488-R492 WeakPolarHBondContact O-CB 3.5Å; E488-R492 PolarHBondContact O-N 2.75Å; N489-R492 PolarHBondContact O-N 3.01Å; N489-R492 PolarHBondContact OD1-NE 2.71Å; N489-R492 PolarHBondContact OD1-NH2 3.49Å; L490-R492 PolarHBondContact O-N 3.31Å
493	L	93.2	Very high	92.8	Very high	32 Å²	32	85.5 Å²	85.5	17%	0.168	43%	0.426	C	S	.	.	H	α-helix	trans	-79.2	-22.9	179.7	-66.7	167.2	0	0	0	113	L152 L166 P210 N489 L490 D491	L152-L493 HydrophobicContact CD1-CB 4.17Å; L166-L493 HydrophobicContact CD1-CD1 3.92Å; L166-L493 HydrophobicContact CD2-CD1 4.01Å; L166-L493 HydrophobicContact CG-CD1 4.4Å; P210-L493 HydrophobicContact CB-CD1 3.56Å; P210-L493 HydrophobicContact CB-CD2 3.97Å; P210-L493 HydrophobicContact CB-CG 4.43Å; P210-L493 HydrophobicContact CG-CD1 4.01Å; N489-L493 VanDerWaalsContact O-CG 3.27Å; N489-L493 WeakPolarHBondContact O-CG 3.34Å; N489-L493 PolarHBondContact O-N 3.45Å; N489-L493 VanDerWaalsContact O-N 3.14Å; L490-L493 PolarHBondContact O-N 3.27Å; L490-L493 VanDerWaalsContact O-N 3.16Å; D491-L493 PolarHBondContact O-N 3.37Å
494	T	94.4	Very high	93	Very high	31 Å²	31	88.3 Å²	88.3	19%	0.19	43%	0.427	C	S	.	.	H	α-helix	trans	-112.6	-20	-170.3	59.7	0	0	0	0	114.9	L152 L164 L490 D491 D496 I497	L152-T494 HydrophobicContact CD1-CG2 4.02Å; L152-T494 HydrophobicContact CD2-CG2 4.11Å; L164-T494 HydrophobicContact CB-CG2 3.91Å; L164-T494 HydrophobicContact CD1-CG2 3.87Å; L490-T494 HydrophobicContact CD1-CG2 3.97Å; L490-T494 HydrophobicContact CG-CG2 4.4Å; L490-T494 WeakPolarHBondContact O-CB 3.48Å; L490-T494 VanDerWaalsContact O-CG2 3.28Å; L490-T494 WeakPolarHBondContact O-CG2 3.35Å; L490-T494 PolarHBondContact O-N 3.25Å; L490-T494 PolarHBondContact O-OG1 3.28Å; D491-T494 PolarHBondContact O-N 3.48Å; D491-T494 VanDerWaalsContact O-N 3.09Å; T494-D496 VanDerWaalsContact C-N 3.31Å; T494-D496 PolarHBondContact O-N 2.84Å; T494-I497 HydrophobicContact CG2-CD1 4.15Å; T494-I497 VanDerWaalsContact O-CB 3.32Å; T494-I497 WeakPolarHBondContact O-CB 3.31Å; T494-I497 PolarHBondContact O-N 3.03Å; T494-I497 VanDerWaalsContact O-N 3.08Å
495	K	91.6	Very high	93.1	Very high	172 Å²	172	84.6 Å²	84.6	75%	0.748	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.2	-173.1	178.8	178.7	179.1	-177.9	0	114.3	D491	D491-K495 WeakPolarHBondContact O-CB 3.17Å; D491-K495 PolarHBondContact O-N 3.48Å
496	D	91.1	Very high	93.2	Very high	134 Å²	134	79.5 Å²	79.5	72%	0.717	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	5.7	-177.8	-62.6	-32.5	0	0	0	112.8	T494 T498	T494-D496 VanDerWaalsContact C-N 3.31Å; T494-D496 PolarHBondContact O-N 2.84Å; D496-T498 PolarHBondContact O-N 2.96Å
497	I	92.6	Very high	93.4	Very high	43 Å²	43	81.1 Å²	81.1	22%	0.221	40%	0.399	C	S	.	.			trans	-71.2	114.2	179.3	-65.9	-178.8	0	0	0	109.9	L152 L164 T494 E501 R502 L505	L152-I497 HydrophobicContact CD1-CD1 3.89Å; L164-I497 HydrophobicContact CD1-CD1 3.51Å; L164-I497 HydrophobicContact CD1-CG2 4.43Å; T494-I497 HydrophobicContact CG2-CD1 4.15Å; T494-I497 VanDerWaalsContact O-CB 3.32Å; T494-I497 WeakPolarHBondContact O-CB 3.31Å; T494-I497 PolarHBondContact O-N 3.03Å; T494-I497 VanDerWaalsContact O-N 3.08Å; I497-E501 HydrophobicContact CG2-CB 3.89Å; I497-R502 HydrophobicContact CG2-CB 4.07Å; I497-L505 HydrophobicContact CD1-CD1 3.87Å
498	T	93.3	Very high	93.5	Very high	62 Å²	62	78.7 Å²	78.7	38%	0.38	39%	0.387	S	S	.	.			trans	-70.5	157.7	173.1	62	0	0	0	0	111.5	D496 L500 E501 R502	D496-T498 PolarHBondContact O-N 2.96Å; T498-L500 PolarHBondContact O-N 3.09Å; T498-L500 VanDerWaalsContact O-N 3.15Å; T498-E501 WeakPolarHBondContact CB-OE2 3.4Å; T498-E501 WeakPolarHBondContact CG2-OE2 3.45Å; T498-E501 PolarHBondContact N-OE2 3.17Å; T498-E501 PolarHBondContact O-N 3.43Å; T498-E501 VanDerWaalsContact OG1-CD 3.28Å; T498-E501 VanDerWaalsContact OG1-CG 3.32Å; T498-E501 WeakPolarHBondContact OG1-CG 3.28Å; T498-E501 PolarHBondContact OG1-N 2.82Å; T498-E501 PolarHBondContact OG1-OE2 3.37Å; T498-R502 PolarHBondContact O-N 2.88Å
499	P	90.9	Very high	93.5	Very high	104 Å²	104	74.1 Å²	74.1	68%	0.675	37%	0.366	S	S	*	.	H	α-helix	trans	-52.4	-37.3	172.5	-28	35.5	0	0	0	113.3	R502 E503	P499-R502 WeakPolarHBondContact O-CB 3.13Å; P499-R502 PolarHBondContact O-N 2.85Å; P499-E503 WeakPolarHBondContact O-CG 3.41Å; P499-E503 PolarHBondContact O-N 2.98Å
500	L	93.3	Very high	93.6	Very high	103 Å²	103	77.2 Å²	77.2	54%	0.539	38%	0.38	S	S	.	.	H	α-helix	trans	-67.5	-39.3	177.3	-177.7	65.8	0	0	0	112.6	T498 R502 E503 K504	T498-L500 PolarHBondContact O-N 3.09Å; T498-L500 VanDerWaalsContact O-N 3.15Å; L500-R502 VanDerWaalsContact C-N 3.34Å; L500-E503 PolarHBondContact O-N 3.19Å; L500-K504 WeakPolarHBondContact O-CG 3.49Å; L500-K504 PolarHBondContact O-N 2.9Å; L500-K504 VanDerWaalsContact O-N 3.12Å
501	E	93.7	Very high	93.7	Very high	82 Å²	82	79.1 Å²	79.1	38%	0.383	39%	0.388	S	S	.	.	H	α-helix	trans	-68.3	-36.7	174.6	-74.9	159.9	151.3	0	0	111.5	I497 T498 E503 K504 L505	I497-E501 HydrophobicContact CG2-CB 3.89Å; T498-E501 WeakPolarHBondContact CB-OE2 3.4Å; T498-E501 WeakPolarHBondContact CG2-OE2 3.45Å; T498-E501 PolarHBondContact N-OE2 3.17Å; T498-E501 PolarHBondContact O-N 3.43Å; T498-E501 VanDerWaalsContact OG1-CD 3.28Å; T498-E501 VanDerWaalsContact OG1-CG 3.32Å; T498-E501 WeakPolarHBondContact OG1-CG 3.28Å; T498-E501 PolarHBondContact OG1-N 2.82Å; T498-E501 PolarHBondContact OG1-OE2 3.37Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 2.78Å; E501-K504 WeakPolarHBondContact O-CB 3.29Å; E501-K504 PolarHBondContact O-N 2.8Å; E501-K504 VanDerWaalsContact O-N 3.12Å; E501-L505 WeakPolarHBondContact O-CG 3.46Å; E501-L505 PolarHBondContact O-N 2.79Å
502	R	93.1	Very high	93.7	Very high	67 Å²	67	75.2 Å²	75.2	25%	0.253	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174.1	-162.8	178.8	-165.8	-173.7	4.2	112.1	L160 T161 S162 L164 I497 T498 P499 L500 K504 L505 A506	L160-R502 PolarHBondContact O-NE 3.11Å; L160-R502 PolarHBondContact O-NH1 2.79Å; L160-R502 PolarHBondContact O-NH2 3.5Å; T161-R502 PolarHBondContact O-NH2 3.21Å; S162-R502 VanDerWaalsContact C-NH2 3.34Å; S162-R502 PolarHBondContact O-NH2 2.67Å; L164-R502 HydrophobicContact CD2-CG 4.46Å; I497-R502 HydrophobicContact CG2-CB 4.07Å; T498-R502 PolarHBondContact O-N 2.88Å; P499-R502 WeakPolarHBondContact O-CB 3.13Å; P499-R502 PolarHBondContact O-N 2.85Å; L500-R502 VanDerWaalsContact C-N 3.34Å; R502-K504 VanDerWaalsContact C-N 3.32Å; R502-K504 PolarHBondContact O-N 2.93Å; R502-L505 PolarHBondContact O-N 3.46Å; R502-A506 PolarHBondContact O-N 2.93Å
503	E	92.8	Very high	93.6	Very high	118 Å²	118	71.9 Å²	71.9	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-40.6	172.2	-73.8	176.5	-174.4	0	0	111.9	P499 L500 E501 A506 L507	P499-E503 WeakPolarHBondContact O-CG 3.41Å; P499-E503 PolarHBondContact O-N 2.98Å; L500-E503 PolarHBondContact O-N 3.19Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 2.78Å; E503-A506 PolarHBondContact O-N 3.35Å; E503-L507 WeakPolarHBondContact O-CB 3.2Å; E503-L507 PolarHBondContact O-N 2.64Å
504	K	94.4	Very high	93.7	Very high	118 Å²	118	77.3 Å²	77.3	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.1	-69.8	174	-176	175.4	0	112.5	L500 E501 R502 L507 K508	L500-K504 WeakPolarHBondContact O-CG 3.49Å; L500-K504 PolarHBondContact O-N 2.9Å; L500-K504 VanDerWaalsContact O-N 3.12Å; E501-K504 WeakPolarHBondContact O-CB 3.29Å; E501-K504 PolarHBondContact O-N 2.8Å; E501-K504 VanDerWaalsContact O-N 3.12Å; R502-K504 VanDerWaalsContact C-N 3.32Å; R502-K504 PolarHBondContact O-N 2.93Å; K504-L507 PolarHBondContact O-N 3.14Å; K504-K508 WeakPolarHBondContact O-CG 3.27Å; K504-K508 PolarHBondContact O-N 2.81Å
505	L	94.6	Very high	93.6	Very high	37 Å²	37	77.3 Å²	77.3	19%	0.194	38%	0.38	C	S	.	.	H	α-helix	trans	-61.8	-45.5	176.5	-70.4	175.9	0	0	0	111	L152 L164 I497 E501 R502 L507 K508 A509	L152-L505 HydrophobicContact CB-CD1 4.08Å; L152-L505 HydrophobicContact CB-CD2 4.47Å; L164-L505 HydrophobicContact CD1-CD1 4.06Å; L164-L505 HydrophobicContact CD2-CD1 4.4Å; I497-L505 HydrophobicContact CD1-CD1 3.87Å; E501-L505 WeakPolarHBondContact O-CG 3.46Å; E501-L505 PolarHBondContact O-N 2.79Å; R502-L505 PolarHBondContact O-N 3.46Å; L505-L507 PolarHBondContact O-N 3.28Å; L505-K508 PolarHBondContact O-N 3.5Å; L505-A509 WeakPolarHBondContact O-CB 3.48Å; L505-A509 PolarHBondContact O-N 3Å
506	A	93.9	Very high	93.5	Very high	3 Å²	3	69.4 Å²	69.4	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-41.4	176.1	0	0	0	0	0	112.3	P154 L160 R502 E503 A509 H510	P154-A506 HydrophobicContact CG-CB 4.07Å; L160-A506 HydrophobicContact CD2-CB 3.31Å; R502-A506 PolarHBondContact O-N 2.93Å; E503-A506 PolarHBondContact O-N 3.35Å; A506-A509 PolarHBondContact O-N 3.11Å; A506-H510 PolarHBondContact O-CD2 3.4Å; A506-H510 PolarHBondContact O-N 2.98Å
507	L	95.4	Very high	93.5	Very high	101 Å²	101	66.4 Å²	66.4	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-47.7	175.4	-177.8	65.4	0	0	0	111.5	E503 K504 L505 A509 H510 Q511	E503-L507 WeakPolarHBondContact O-CB 3.2Å; E503-L507 PolarHBondContact O-N 2.64Å; K504-L507 PolarHBondContact O-N 3.14Å; L505-L507 PolarHBondContact O-N 3.28Å; L507-A509 VanDerWaalsContact C-N 3.34Å; L507-A509 PolarHBondContact O-N 2.94Å; L507-H510 PolarHBondContact O-N 3.49Å; L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 3.13Å
508	K	95.2	Very high	93.4	Very high	66 Å²	66	70.1 Å²	70.1	29%	0.287	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-39.5	176.4	-73.1	-174.3	174.7	-174.7	0	111.9	E142 M146 K504 L505 H510 Q511 L512	E142-K508 IonicContact OE1-NZ 3.98Å; E142-K508 PolarHBondContact OE1-NZ 2.91Å; E142-K508 IonicContact OE2-NZ 3.3Å; M146-K508 HydrophobicContact CE-CB 3.69Å; M146-K508 HydrophobicContact CE-CD 4.24Å; M146-K508 HydrophobicContact SD-CB 4.08Å; M146-K508 HydrophobicContact SD-CD 3.95Å; K504-K508 WeakPolarHBondContact O-CG 3.27Å; K504-K508 PolarHBondContact O-N 2.81Å; L505-K508 PolarHBondContact O-N 3.5Å; K508-H510 VanDerWaalsContact C-N 3.34Å; K508-H510 PolarHBondContact O-N 3.48Å; K508-Q511 PolarHBondContact O-N 3.44Å; K508-L512 WeakPolarHBondContact O-CB 3.43Å; K508-L512 PolarHBondContact O-N 2.91Å
509	A	93.9	Very high	93	Very high	3 Å²	3	74 Å²	74	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-37.9	175.7	0	0	0	0	0	112.1	E153 L157 L505 A506 L507 L512 L513	E153-A509 HydrophobicContact CB-CB 3.85Å; L157-A509 HydrophobicContact CD2-CB 3.57Å; L505-A509 WeakPolarHBondContact O-CB 3.48Å; L505-A509 PolarHBondContact O-N 3Å; A506-A509 PolarHBondContact O-N 3.11Å; L507-A509 VanDerWaalsContact C-N 3.34Å; L507-A509 PolarHBondContact O-N 2.94Å; A509-L512 PolarHBondContact O-N 3.07Å; A509-L513 WeakPolarHBondContact O-CB 3.41Å; A509-L513 PolarHBondContact O-N 3.26Å
510	H	94.8	Very high	92.7	Very high	85 Å²	85	71.8 Å²	71.8	39%	0.394	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-43.2	171.4	-78.7	-59.5	0	0	0	112.6	L157 A506 L507 K508 L512 L513 E514	L157-H510 PolarHBondContact O-NE2 2.72Å; A506-H510 PolarHBondContact O-CD2 3.4Å; A506-H510 PolarHBondContact O-N 2.98Å; L507-H510 PolarHBondContact O-N 3.49Å; K508-H510 VanDerWaalsContact C-N 3.34Å; K508-H510 PolarHBondContact O-N 3.48Å; H510-L512 VanDerWaalsContact C-N 3.34Å; H510-L512 PolarHBondContact O-N 2.8Å; H510-L513 PolarHBondContact O-N 3.29Å; H510-E514 WeakPolarHBondContact O-CB 3.26Å; H510-E514 PolarHBondContact O-N 2.77Å
511	Q	96.3	Very high	92.5	Very high	87 Å²	87	72.4 Å²	72.4	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.1	-72.7	172.5	-18.8	0	0	111.7	L143 L507 K508 E514 K515	L143-Q511 HydrophobicContact CD1-CB 4.43Å; L143-Q511 HydrophobicContact CD2-CB 4.33Å; L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 3.13Å; K508-Q511 PolarHBondContact O-N 3.44Å; Q511-E514 PolarHBondContact O-N 3.49Å; Q511-K515 WeakPolarHBondContact O-CB 3.49Å; Q511-K515 PolarHBondContact O-N 2.58Å
512	L	94.7	Very high	92.4	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-47.4	174.5	179	58.2	0	0	0	110.8	L143 M146 Q147 K508 A509 H510 E514 K515 Q516	L143-L512 HydrophobicContact CB-CD1 4.23Å; L143-L512 HydrophobicContact CD2-CB 4.19Å; M146-L512 HydrophobicContact CB-CD2 4.47Å; Q147-L512 HydrophobicContact CB-CD1 4.21Å; K508-L512 WeakPolarHBondContact O-CB 3.43Å; K508-L512 PolarHBondContact O-N 2.91Å; A509-L512 PolarHBondContact O-N 3.07Å; H510-L512 VanDerWaalsContact C-N 3.34Å; H510-L512 PolarHBondContact O-N 2.8Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.1Å; L512-K515 PolarHBondContact O-N 3.45Å; L512-Q516 HydrophobicContact CD1-CG 4.18Å; L512-Q516 HydrophobicContact CG-CG 4.4Å; L512-Q516 WeakPolarHBondContact O-CB 3.36Å; L512-Q516 VanDerWaalsContact O-CG 3.23Å; L512-Q516 WeakPolarHBondContact O-CG 3.14Å; L512-Q516 PolarHBondContact O-N 3.18Å
513	L	92.9	Very high	92.3	Very high	59 Å²	59	71.4 Å²	71.4	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-38.9	178.4	-179.3	62.4	0	0	0	112.2	L157 A509 H510 Q516 N517 K861	L157-L513 HydrophobicContact CD1-CD2 3.98Å; A509-L513 WeakPolarHBondContact O-CB 3.41Å; A509-L513 PolarHBondContact O-N 3.26Å; H510-L513 PolarHBondContact O-N 3.29Å; L513-Q516 PolarHBondContact O-N 2.84Å; L513-N517 WeakPolarHBondContact O-CB 3.36Å; L513-N517 PolarHBondContact O-N 3.39Å; L513-N517 VanDerWaalsContact O-N 3.07Å; L513-N517 PolarHBondContact O-ND2 2.94Å; L513-K861 HydrophobicContact CD1-CG 4.44Å
514	E	94.4	Very high	92.4	Very high	147 Å²	147	68.1 Å²	68.1	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-62.9	-49.6	174.2	-173.7	175.1	-172.4	0	0	110.5	H510 Q511 L512 Q516 N517 Q518	H510-E514 WeakPolarHBondContact O-CB 3.26Å; H510-E514 PolarHBondContact O-N 2.77Å; Q511-E514 PolarHBondContact O-N 3.49Å; L512-E514 VanDerWaalsContact C-N 3.32Å; L512-E514 PolarHBondContact O-N 3.1Å; E514-Q516 VanDerWaalsContact C-N 3.32Å; E514-Q516 PolarHBondContact O-N 3.46Å; E514-N517 PolarHBondContact O-N 2.81Å; E514-N517 VanDerWaalsContact O-N 3.13Å; E514-Q518 PolarHBondContact O-N 2.89Å
515	K	91.9	Very high	92.4	Very high	31 Å²	31	62.9 Å²	62.9	14%	0.135	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-45.7	174.8	-173	177.9	178.8	-170.9	0	111.1	R88 E141 L143 D144 Q511 L512 N517 Q518	R88-K515 PolarHBondContact NH1-O 2.93Å; E141-K515 IonicContact OE2-NZ 2.72Å; E141-K515 PolarHBondContact OE2-NZ 3.05Å; L143-K515 HydrophobicContact CB-CD 4.07Å; L143-K515 HydrophobicContact CD1-CB 4.35Å; L143-K515 HydrophobicContact CD1-CD 3.76Å; D144-K515 VanDerWaalsContact CG-NZ 3.27Å; D144-K515 IonicContact OD1-NZ 3.48Å; D144-K515 PolarHBondContact OD1-NZ 2.87Å; D144-K515 IonicContact OD2-NZ 3.03Å; D144-K515 PolarHBondContact OD2-NZ 3.42Å; Q511-K515 WeakPolarHBondContact O-CB 3.49Å; Q511-K515 PolarHBondContact O-N 2.58Å; L512-K515 PolarHBondContact O-N 3.45Å; K515-N517 VanDerWaalsContact C-N 3.3Å; K515-N517 PolarHBondContact O-N 2.89Å; K515-Q518 VanDerWaalsContact O-CB 3.3Å; K515-Q518 WeakPolarHBondContact O-CB 3.26Å; K515-Q518 PolarHBondContact O-N 2.81Å
516	Q	90.8	Very high	92.5	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.028	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-36.6	178.6	-75	174.9	-15.9	0	0	113.1	R88 L512 L513 E514 R856 E860 K861	R88-Q516 PolarHBondContact NH2-O 3.07Å; R88-Q516 VanDerWaalsContact NH2-O 3.09Å; L512-Q516 HydrophobicContact CD1-CG 4.18Å; L512-Q516 HydrophobicContact CG-CG 4.4Å; L512-Q516 WeakPolarHBondContact O-CB 3.36Å; L512-Q516 VanDerWaalsContact O-CG 3.23Å; L512-Q516 WeakPolarHBondContact O-CG 3.14Å; L512-Q516 PolarHBondContact O-N 3.18Å; L513-Q516 PolarHBondContact O-N 2.84Å; E514-Q516 VanDerWaalsContact C-N 3.32Å; E514-Q516 PolarHBondContact O-N 3.46Å; Q516-R856 WeakPolarHBondContact O-CD 3.48Å; Q516-E860 HydrophobicContact CG-CB 4.43Å; Q516-E860 PolarHBondContact NE2-O 3.12Å; Q516-K861 HydrophobicContact CB-CG 4.41Å
517	N	90.9	Very high	92.5	Very high	71 Å²	71	63.7 Å²	63.7	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-82.1	-16.4	178.5	-76.2	-55.1	0	0	0	114.2	L513 E514 K515 E519 K861	L513-N517 WeakPolarHBondContact O-CB 3.36Å; L513-N517 PolarHBondContact O-N 3.39Å; L513-N517 VanDerWaalsContact O-N 3.07Å; L513-N517 PolarHBondContact O-ND2 2.94Å; E514-N517 PolarHBondContact O-N 2.81Å; E514-N517 VanDerWaalsContact O-N 3.13Å; K515-N517 VanDerWaalsContact C-N 3.3Å; K515-N517 PolarHBondContact O-N 2.89Å; N517-E519 PolarHBondContact O-N 2.71Å; N517-K861 WeakPolarHBondContact OD1-CE 3.27Å; N517-K861 PolarHBondContact OD1-NZ 3.35Å
518	Q	90.1	Very high	92.5	Very high	120 Å²	120	58.9 Å²	58.9	56%	0.561	30%	0.304	S	S	*	.	S	Bend	trans	-61.2	133	-179.1	-172.5	176.7	-8.4	0	0	111.1	E514 K515	E514-Q518 PolarHBondContact O-N 2.89Å; K515-Q518 VanDerWaalsContact O-CB 3.3Å; K515-Q518 WeakPolarHBondContact O-CB 3.26Å; K515-Q518 PolarHBondContact O-N 2.81Å
519	E	85	Confident	92.3	Very high	145 Å²	145	58.5 Å²	58.5	68%	0.678	31%	0.305	S	S	*	.			trans	-75.7	129.5	166	-69.6	-167.1	157.5	0	0	109	N517 R903	N517-E519 PolarHBondContact O-N 2.71Å; E519-R903 IonicContact OE1-NH1 2.66Å; E519-R903 IonicContact OE1-NH2 3.35Å; E519-R903 PolarHBondContact OE1-NH2 3.28Å
520	E	84	Confident	92.1	Very high	56 Å²	56	60 Å²	60	26%	0.262	31%	0.313	S	S	.	.			trans	-109.4	146.1	-174.6	-67.7	-172.6	113	0	0	112.9	R88 K93 V522	R88-E520 VanDerWaalsContact CB-CD 3.43Å; R88-E520 WeakPolarHBondContact CB-OE1 3.48Å; R88-E520 WeakPolarHBondContact CB-OE2 3.42Å; R88-E520 PolarHBondContact N-OE1 3.27Å; R88-E520 PolarHBondContact N-OE2 3.46Å; K93-E520 IonicContact NZ-OE2 3.81Å; K93-E520 PolarHBondContact NZ-OE2 3.49Å; E520-V522 PolarHBondContact O-N 3.18Å
521	D	89.4	Confident	91.7	Very high	117 Å²	117	64.6 Å²	64.6	63%	0.626	33%	0.332	S	S	*	.			trans	-78.6	112.6	167.8	-176.4	8.5	0	0	0	110.3	S523	D521-S523 VanDerWaalsContact CG-OG 3.23Å; D521-S523 WeakPolarHBondContact OD1-CB 3.38Å; D521-S523 PolarHBondContact OD1-N 3.43Å; D521-S523 PolarHBondContact OD1-OG 3.07Å; D521-S523 PolarHBondContact OD2-OG 3.32Å; D521-S523 VanDerWaalsContact OD2-OG 3.12Å
522	V	91.5	Very high	91.4	Very high	37 Å²	37	63.2 Å²	63.2	22%	0.224	33%	0.328	C	S	.	.			trans	-104.7	9.3	179.3	-65.4	0	0	0	0	112.3	C87 K93 E520 C524 L525	C87-V522 HydrophobicContact CB-CG1 4.31Å; K93-V522 HydrophobicContact CD-CG1 3.57Å; E520-V522 PolarHBondContact O-N 3.18Å; V522-C524 PolarHBondContact O-N 2.93Å; V522-L525 HydrophobicContact CB-CD1 4.34Å; V522-L525 WeakPolarHBondContact O-CB 3.45Å; V522-L525 PolarHBondContact O-N 3.21Å
523	S	91.6	Very high	91.3	Very high	90 Å²	90	63.3 Å²	63.3	63%	0.629	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.6	180	65.5	0	0	0	0	113.7	D521 L525	D521-S523 VanDerWaalsContact CG-OG 3.23Å; D521-S523 WeakPolarHBondContact OD1-CB 3.38Å; D521-S523 PolarHBondContact OD1-N 3.43Å; D521-S523 PolarHBondContact OD1-OG 3.07Å; D521-S523 PolarHBondContact OD2-OG 3.32Å; D521-S523 VanDerWaalsContact OD2-OG 3.12Å; S523-L525 VanDerWaalsContact C-N 3.25Å; S523-L525 PolarHBondContact O-N 3.02Å
524	C	94.6	Very high	91.2	Very high	49 Å²	49	63.9 Å²	63.9	33%	0.331	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.6	173.1	64	0	0	0	0	113.3	Y85 V522	Y85-C524 WeakPolarHBondContact CD1-O 3.38Å; Y85-C524 VanDerWaalsContact CE1-O 3.3Å; Y85-C524 WeakPolarHBondContact CE1-O 3.34Å; V522-C524 PolarHBondContact O-N 2.93Å
525	L	95.6	Very high	91.2	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.042	33%	0.334	C	S	.	.	S	Bend	trans	-78.8	134.9	-178.6	-67.7	175.8	0	0	0	111	Y85 P90 K93 M94 V522 S523	Y85-L525 HydrophobicContact CD1-CD2 3.81Å; Y85-L525 HydrophobicContact CG-CD2 4.01Å; P90-L525 HydrophobicContact CB-CD1 4.48Å; P90-L525 HydrophobicContact CB-CD2 3.66Å; K93-L525 HydrophobicContact CB-CD1 3.49Å; K93-L525 VanDerWaalsContact CB-CD1 3.49Å; K93-L525 HydrophobicContact CD-CD1 3.81Å; K93-L525 HydrophobicContact CG-CD1 4.3Å; M94-L525 HydrophobicContact SD-CB 4.48Å; V522-L525 HydrophobicContact CB-CD1 4.34Å; V522-L525 WeakPolarHBondContact O-CB 3.45Å; V522-L525 PolarHBondContact O-N 3.21Å; S523-L525 VanDerWaalsContact C-N 3.25Å; S523-L525 PolarHBondContact O-N 3.02Å
526	P	95.6	Very high	91.3	Very high	26 Å²	26	68.6 Å²	68.6	17%	0.169	36%	0.361	C	S	.	.			trans	-63.3	149.7	170.1	30	-33.9	0	0	0	110.3	M94 N126 V130	M94-P526 HydrophobicContact CE-CG 4.11Å; M94-P526 HydrophobicContact SD-CG 4.05Å; M94-P526 VanDerWaalsContact SD-O 3.37Å; N126-P526 HydrophobicContact CB-CB 3.78Å; N126-P526 HydrophobicContact CB-CG 3.74Å; N126-P526 VanDerWaalsContact CG-CB 3.44Å; N126-P526 WeakPolarHBondContact OD1-CB 3.45Å; V130-P526 HydrophobicContact CG2-CG 3.92Å
527	C	95	Very high	91.4	Very high	31 Å²	31	69.3 Å²	69.3	21%	0.209	37%	0.366	C	S	.	.			trans	-142.6	131.1	174.5	-176.9	0	0	0	0	108.1	R97 Q908	R97-C527 HydrophobicContact CB-CB 4.09Å; R97-C527 HydrophobicContact CG-CB 4.12Å; C527-Q908 PolarHBondContact SG-NE2 2.85Å
528	L	93.9	Very high	91.4	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.373	C	S	.	.			trans	-56.6	145.2	171	-77.9	178	0	0	0	110.2	R97 Q99 T122 D123 D532 K911 L915	R97-L528 PolarHBondContact O-N 2.99Å; Q99-L528 HydrophobicContact CB-CD1 3.88Å; Q99-L528 HydrophobicContact CG-CD1 3.74Å; T122-L528 HydrophobicContact CG2-CD2 3.86Å; D123-L528 HydrophobicContact CB-CD1 3.83Å; D123-L528 HydrophobicContact CB-CD2 3.95Å; D123-L528 HydrophobicContact CB-CG 4.12Å; L528-D532 HydrophobicContact CD2-CB 4.01Å; L528-K911 WeakPolarHBondContact O-CE 3.46Å; L528-K911 PolarHBondContact O-NZ 3.4Å; L528-L915 HydrophobicContact CB-CD1 4.17Å; L528-L915 HydrophobicContact CB-CD2 4.15Å
529	D	91.6	Very high	91.4	Very high	58 Å²	58	71 Å²	71	31%	0.31	37%	0.374	S	S	.	.			trans	-78.7	154.1	167.5	-149.9	-81.6	0	0	0	111.6	F531 D532 K911	D529-F531 PolarHBondContact O-N 3.42Å; D529-F531 WeakPolarHBondContact OD1-CD2 3.36Å; D529-F531 PolarHBondContact OD1-N 2.91Å; D529-F531 VanDerWaalsContact OD1-N 3.16Å; D529-D532 PolarHBondContact N-OD2 3.01Å; D529-D532 WeakPolarHBondContact O-CB 2.94Å; D529-D532 PolarHBondContact O-N 3.44Å; D529-K911 IonicContact OD2-NZ 3.82Å; D529-K911 PolarHBondContact OD2-NZ 3.2Å
530	I	89	Confident	91.8	Very high	35 Å²	35	64.8 Å²	64.8	18%	0.179	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.9	-25.6	173.3	-160	60.3	0	0	0	110.6	D532 V533 K914 F918 F952	I530-D532 VanDerWaalsContact C-N 3.28Å; I530-D532 PolarHBondContact O-N 3.35Å; I530-V533 HydrophobicContact CD1-CG2 4.47Å; I530-V533 WeakPolarHBondContact O-CB 3.29Å; I530-V533 PolarHBondContact O-N 3.4Å; I530-K914 HydrophobicContact CD1-CB 4.25Å; I530-K914 HydrophobicContact CD1-CD 4.45Å; I530-F918 HydrophobicContact CD1-CD2 4.18Å; I530-F918 HydrophobicContact CD1-CE2 3.89Å; I530-F952 HydrophobicContact CD1-CD1 4.27Å; I530-F952 HydrophobicContact CD1-CE1 4.02Å; I530-F952 HydrophobicContact CG1-CD1 4.03Å; I530-F952 HydrophobicContact CG1-CE1 3.88Å
531	F	87.4	Confident	92	Very high	181 Å²	181	67.3 Å²	67.3	79%	0.794	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-72.8	-16.8	172.6	-59.3	-65	0	0	0	113.9	D529 V533	D529-F531 PolarHBondContact O-N 3.42Å; D529-F531 WeakPolarHBondContact OD1-CD2 3.36Å; D529-F531 PolarHBondContact OD1-N 2.91Å; D529-F531 VanDerWaalsContact OD1-N 3.16Å; F531-V533 PolarHBondContact O-N 2.98Å
532	D	90.2	Very high	92.3	Very high	59 Å²	59	64.4 Å²	64.4	32%	0.316	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-77.1	-10	172.6	-63.2	-46	0	0	0	111.8	N120 L528 D529 I530	N120-D532 PolarHBondContact ND2-O 2.83Å; N120-D532 VanDerWaalsContact ND2-O 3.15Å; L528-D532 HydrophobicContact CD2-CB 4.01Å; D529-D532 PolarHBondContact N-OD2 3.01Å; D529-D532 WeakPolarHBondContact O-CB 2.94Å; D529-D532 PolarHBondContact O-N 3.44Å; I530-D532 VanDerWaalsContact C-N 3.28Å; I530-D532 PolarHBondContact O-N 3.35Å
533	V	91.3	Very high	92.5	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.024	36%	0.363	C	S	.	.	S	Bend	trans	-89.8	128	175.7	-178.9	0	0	0	0	109.4	Q99 I530 F531 L535 L915 F918 F952	Q99-V533 HydrophobicContact CG-CG2 4.5Å; I530-V533 HydrophobicContact CD1-CG2 4.47Å; I530-V533 WeakPolarHBondContact O-CB 3.29Å; I530-V533 PolarHBondContact O-N 3.4Å; F531-V533 PolarHBondContact O-N 2.98Å; V533-L535 PolarHBondContact O-N 3.48Å; V533-L915 HydrophobicContact CG2-CD2 3.62Å; V533-F918 HydrophobicContact CG1-CB 3.96Å; V533-F918 HydrophobicContact CG1-CD1 4.12Å; V533-F918 HydrophobicContact CG1-CD2 3.88Å; V533-F918 HydrophobicContact CG1-CE2 4.4Å; V533-F918 HydrophobicContact CG1-CG 3.72Å; V533-F918 HydrophobicContact CG2-CD2 4.37Å; V533-F952 HydrophobicContact CB-CZ 4.45Å; V533-F952 HydrophobicContact CG1-CZ 4.03Å
534	P	91.9	Very high	92.7	Very high	71 Å²	71	67.5 Å²	67.5	46%	0.461	36%	0.359	S	S	.	.			trans	-55.2	135.9	177.1	-26.5	34.8	0	0	0	112.2	E536 R948	P534-E536 VanDerWaalsContact C-N 3.3Å; P534-E536 PolarHBondContact O-N 3.42Å; P534-R948 PolarHBondContact O-NE 2.88Å; P534-R948 PolarHBondContact O-NH2 3.46Å
535	L	93.5	Very high	92.8	Very high	124 Å²	124	68.1 Å²	68.1	65%	0.649	36%	0.361	S	S	*	.	S	Bend	trans	-70.3	-31.5	177.4	-68.7	175.5	0	0	0	112.2	V533 Q945 R948 F952	V533-L535 PolarHBondContact O-N 3.48Å; L535-Q945 PolarHBondContact O-NE2 2.78Å; L535-R948 VanDerWaalsContact O-CD 3.29Å; L535-R948 WeakPolarHBondContact O-CD 3.48Å; L535-R948 PolarHBondContact O-NE 3.43Å; L535-F952 HydrophobicContact CD2-CE1 4.45Å; L535-F952 HydrophobicContact CD2-CE2 4.26Å; L535-F952 HydrophobicContact CD2-CZ 4.07Å
536	E	95	Very high	92.6	Very high	153 Å²	153	73.8 Å²	73.8	72%	0.715	39%	0.388	S	S	*	.	S	Bend	trans	-103.7	141.2	-179.4	-63.8	-177.4	174.6	0	0	111	P534 Q945	P534-E536 VanDerWaalsContact C-N 3.3Å; P534-E536 PolarHBondContact O-N 3.42Å; E536-Q945 VanDerWaalsContact CA-OE1 3.25Å
537	C	93	Very high	92.3	Very high	20 Å²	20	73.5 Å²	73.5	14%	0.135	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-68.8	149	168.8	64.8	0	0	0	0	109.8	P539 Q945	C537-P539 WeakPolarHBondContact O-CD 3.47Å; C537-Q945 PolarHBondContact SG-OE1 2.95Å
538	R	90.5	Very high	91.8	Very high	137 Å²	137	73.9 Å²	73.9	52%	0.517	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-63.2	121.8	174.6	-174.8	179.6	-177.4	170.3	3.7	109.5	R944	R538-R944 PolarHBondContact O-NH2 2.73Å
539	P	91.1	Very high	91.3	Very high	91 Å²	91	78 Å²	78	59%	0.591	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.9	141	177.8	26.7	-33.5	0	0	0	110.3	C537 P541 D941	C537-P539 WeakPolarHBondContact O-CD 3.47Å; P539-P541 WeakPolarHBondContact O-CD 3.38Å; P539-D941 WeakPolarHBondContact CA-OD2 3.34Å
540	E	91.3	Very high	91.3	Very high	14 Å²	14	76.2 Å²	76.2	7%	0.065	40%	0.4	C	S	.	.			trans	-121.1	77	175.2	-73.1	174.2	-142.3	0	0	108.2	F542 R930 G931 D941 R944	E540-F542 WeakPolarHBondContact O-CD1 3.47Å; E540-R930 HydrophobicContact CG-CB 4.43Å; E540-G931 PolarHBondContact OE2-N 3.37Å; E540-D941 PolarHBondContact N-OD2 3.3Å; E540-R944 IonicContact OE1-CZ 3.09Å; E540-R944 IonicContact OE1-NH1 2.98Å; E540-R944 PolarHBondContact OE1-NH1 3.1Å; E540-R944 IonicContact OE1-NH2 3.84Å
541	P	89.6	Confident	91.6	Very high	109 Å²	109	78.1 Å²	78.1	71%	0.708	42%	0.415	S	S	*	.			trans	-66.7	139.3	-174.1	28.8	-35	0	0	0	110.8	P539	P539-P541 WeakPolarHBondContact O-CD 3.38Å
542	F	95.1	Very high	92	Very high	56 Å²	56	69.6 Å²	69.6	25%	0.246	38%	0.378	C	S	.	.			trans	-140.7	157.3	172.9	57.7	-95.7	0	0	0	109.6	E540 L544 Q553 L554 N555 Y934	E540-F542 WeakPolarHBondContact O-CD1 3.47Å; F542-L544 HydrophobicContact CD2-CD2 3.83Å; F542-L544 HydrophobicContact CD2-CG 3.98Å; F542-L544 HydrophobicContact CE2-CD1 4.14Å; F542-L544 HydrophobicContact CE2-CD2 3.7Å; F542-L544 HydrophobicContact CE2-CG 3.72Å; F542-Q553 HydrophobicContact CB-CG 3.75Å; F542-Q553 HydrophobicContact CD2-CG 3.78Å; F542-Q553 HydrophobicContact CG-CG 3.87Å; F542-L554 CarbonylContact C-O 3.59Å; F542-L554 VanDerWaalsContact CA-O 3.26Å; F542-L554 WeakPolarHBondContact CA-O 3.49Å; F542-L554 WeakPolarHBondContact CB-O 3.49Å; F542-N555 WeakPolarHBondContact CB-OD1 3.41Å; F542-Y934 HydrophobicContact CD2-CD1 4.45Å; F542-Y934 AromaticContact CE1-CD1 3.82Å; F542-Y934 HydrophobicContact CE1-CD1 3.82Å; F542-Y934 HydrophobicContact CE1-CD2 4.35Å; F542-Y934 AromaticContact CE1-CG 3.71Å; F542-Y934 HydrophobicContact CE1-CG 3.71Å; F542-Y934 AromaticContact CE2-CD1 3.63Å; F542-Y934 HydrophobicContact CE2-CD1 3.63Å; F542-Y934 AromaticContact CE2-CE1 3.61Å; F542-Y934 HydrophobicContact CE2-CE1 3.61Å; F542-Y934 HydrophobicContact CE2-CG 4.26Å; F542-Y934 AromaticContact CZ-CD1 3.26Å; F542-Y934 HydrophobicContact CZ-CD1 3.26Å; F542-Y934 AromaticContact CZ-CD2 3.86Å; F542-Y934 HydrophobicContact CZ-CD2 3.86Å; F542-Y934 AromaticContact CZ-CE1 3.56Å; F542-Y934 HydrophobicContact CZ-CE1 3.56Å; F542-Y934 HydrophobicContact CZ-CE2 4.1Å; F542-Y934 AromaticContact CZ-CG 3.43Å; F542-Y934 HydrophobicContact CZ-CG 3.43Å; F542-Y934 VanDerWaalsContact CZ-CG 3.43Å; F542-Y934 AromaticContact CZ-CZ 3.95Å
543	T	96.6	Very high	92.4	Very high	88 Å²	88	67 Å²	67	54%	0.54	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.6	173.7	-60.6	0	0	0	0	109.4	L554	T543-L554 PolarHBondContact N-O 3.03Å; T543-L554 PolarHBondContact O-N 2.97Å
544	L	96.3	Very high	92.7	Very high	103 Å²	103	68 Å²	68	54%	0.539	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129.5	169.1	-62.7	178.7	0	0	0	109.5	F542 Q553 Y934	F542-L544 HydrophobicContact CD2-CD2 3.83Å; F542-L544 HydrophobicContact CD2-CG 3.98Å; F542-L544 HydrophobicContact CE2-CD1 4.14Å; F542-L544 HydrophobicContact CE2-CD2 3.7Å; F542-L544 HydrophobicContact CE2-CG 3.72Å; L544-Q553 HydrophobicContact CD2-CB 4.17Å; L544-Q553 HydrophobicContact CD2-CG 4.32Å; L544-Y934 HydrophobicContact CD1-CE1 4.47Å; L544-Y934 HydrophobicContact CD2-CE1 4.1Å
545	T	95.5	Very high	93	Very high	62 Å²	62	64.8 Å²	64.8	38%	0.38	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-174.1	174.8	-167.5	0	0	0	0	109.4	V552 L554 L776	T545-V552 HydrophobicContact CG2-CB 3.86Å; T545-V552 HydrophobicContact CG2-CG1 4.3Å; T545-V552 PolarHBondContact N-O 3.44Å; T545-V552 PolarHBondContact O-N 3.43Å; T545-V552 VanDerWaalsContact O-O 3.13Å; T545-L554 HydrophobicContact CG2-CD1 3.9Å; T545-L554 HydrophobicContact CG2-CG 4.08Å; T545-L776 HydrophobicContact CG2-CD2 4.39Å
546	Q	92	Very high	93.1	Very high	127 Å²	127	65.8 Å²	65.8	59%	0.593	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.5	172.5	61.8	-175.1	3.2	0	0	110.8	F550	Q546-F550 CarbonylContact C-O 3.32Å; Q546-F550 WeakPolarHBondContact CA-O 3.35Å; Q546-F550 WeakPolarHBondContact CB-O 3.37Å
547	T	89.1	Confident	92.9	Very high	20 Å²	20	58.9 Å²	58.9	12%	0.123	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.1	176.7	-63.5	0	0	0	0	107.9	D549 F550 D780 L783	T547-D549 PolarHBondContact O-N 2.99Å; T547-D549 VanDerWaalsContact O-N 3.09Å; T547-F550 PolarHBondContact N-O 2.99Å; T547-F550 WeakPolarHBondContact O-CB 3.12Å; T547-F550 PolarHBondContact O-N 3.45Å; T547-D780 VanDerWaalsContact CG2-CA 3.5Å; T547-D780 HydrophobicContact CG2-CB 3.36Å; T547-D780 WeakPolarHBondContact CG2-OD1 3.42Å; T547-L783 HydrophobicContact CG2-CD1 4.24Å
548	S	84	Confident	92.7	Very high	40 Å²	40	61.2 Å²	61.2	28%	0.28	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	36.5	-171.9	-17.1	0	0	0	0	113.7	F550 D780	S548-F550 VanDerWaalsContact C-N 3.28Å; S548-F550 WeakPolarHBondContact O-CD2 3.42Å; S548-F550 PolarHBondContact O-N 3.43Å; S548-D780 PolarHBondContact OG-OD1 2.84Å
549	D	83.3	Confident	92.7	Very high	85 Å²	85	54.9 Å²	54.9	46%	0.455	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	9.8	-172.6	-56.3	-32.7	0	0	0	117.1	T547 R759	T547-D549 PolarHBondContact O-N 2.99Å; T547-D549 VanDerWaalsContact O-N 3.09Å; D549-R759 VanDerWaalsContact CB-CZ 3.49Å; D549-R759 IonicContact OD2-CZ 2.82Å; D549-R759 VanDerWaalsContact OD2-CZ 3.3Å; D549-R759 IonicContact OD2-NH1 3.83Å; D549-R759 PolarHBondContact OD2-NH1 3.44Å; D549-R759 IonicContact OD2-NH2 3.54Å; D549-R759 PolarHBondContact OD2-NH2 3.4Å
550	F	91.5	Very high	92.6	Very high	21 Å²	21	52.6 Å²	52.6	9%	0.092	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.4	171.7	-67.6	-99.2	0	0	0	110.8	Q546 T547 S548 R759 L761 F763 L783	Q546-F550 CarbonylContact C-O 3.32Å; Q546-F550 WeakPolarHBondContact CA-O 3.35Å; Q546-F550 WeakPolarHBondContact CB-O 3.37Å; T547-F550 PolarHBondContact N-O 2.99Å; T547-F550 WeakPolarHBondContact O-CB 3.12Å; T547-F550 PolarHBondContact O-N 3.45Å; S548-F550 VanDerWaalsContact C-N 3.28Å; S548-F550 WeakPolarHBondContact O-CD2 3.42Å; S548-F550 PolarHBondContact O-N 3.43Å; F550-R759 HydrophobicContact CZ-CG 4.42Å; F550-L761 HydrophobicContact CD1-CB 4.08Å; F550-L761 WeakPolarHBondContact CD1-O 3.41Å; F550-L761 HydrophobicContact CE1-CB 4.19Å; F550-F763 HydrophobicContact CB-CD2 4.27Å; F550-F763 HydrophobicContact CB-CE2 3.98Å; F550-F763 HydrophobicContact CD1-CE2 4.05Å; F550-F763 HydrophobicContact CG-CE2 4.22Å; F550-L783 HydrophobicContact CB-CD1 3.94Å; F550-L783 HydrophobicContact CB-CD2 4.5Å; F550-L783 HydrophobicContact CD1-CD2 4.1Å; F550-L783 HydrophobicContact CD2-CB 4.36Å; F550-L783 HydrophobicContact CD2-CD1 3.79Å; F550-L783 HydrophobicContact CD2-CD2 3.75Å; F550-L783 HydrophobicContact CD2-CG 4.17Å; F550-L783 HydrophobicContact CE1-CD2 4.21Å; F550-L783 HydrophobicContact CE2-CB 4.4Å; F550-L783 HydrophobicContact CE2-CD2 3.89Å; F550-L783 HydrophobicContact CG-CD1 4.01Å; F550-L783 HydrophobicContact CG-CD2 3.86Å; F550-L783 HydrophobicContact CZ-CD2 4.11Å
551	P	94.7	Very high	92.6	Very high	75 Å²	75	52.5 Å²	52.5	49%	0.487	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.2	175.9	-19	31.7	0	0	0	112	K762 F763	P551-K762 HydrophobicContact CB-CB 4.18Å; P551-K762 HydrophobicContact CG-CB 4.44Å; P551-F763 PolarHBondContact O-N 3.12Å
552	V	97.5	Very high	92.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.8	177.9	-174.1	0	0	0	0	110.1	T545 L554 F763 L765 L776 L779	T545-V552 HydrophobicContact CG2-CB 3.86Å; T545-V552 HydrophobicContact CG2-CG1 4.3Å; T545-V552 PolarHBondContact N-O 3.44Å; T545-V552 PolarHBondContact O-N 3.43Å; T545-V552 VanDerWaalsContact O-O 3.13Å; V552-L554 HydrophobicContact CG1-CD2 3.9Å; V552-F763 CarbonylContact C-O 3.57Å; V552-F763 WeakPolarHBondContact CA-O 3.4Å; V552-F763 HydrophobicContact CG1-CB 4.37Å; V552-F763 HydrophobicContact CG2-CB 4.32Å; V552-F763 HydrophobicContact CG2-CD2 4.46Å; V552-L765 HydrophobicContact CG1-CD1 4.37Å; V552-L765 HydrophobicContact CG1-CG 4.28Å; V552-L776 HydrophobicContact CG1-CD2 4.04Å; V552-L779 HydrophobicContact CG1-CD2 4.17Å; V552-L779 HydrophobicContact CG2-CD2 3.77Å
553	Q	98	Very high	92.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.7	168.8	-178.4	-179.2	-39.5	0	0	109.7	F542 L544 N555 F763 S764 L765 G931	F542-Q553 HydrophobicContact CB-CG 3.75Å; F542-Q553 HydrophobicContact CD2-CG 3.78Å; F542-Q553 HydrophobicContact CG-CG 3.87Å; L544-Q553 HydrophobicContact CD2-CB 4.17Å; L544-Q553 HydrophobicContact CD2-CG 4.32Å; Q553-N555 PolarHBondContact NE2-OD1 3.25Å; Q553-F763 PolarHBondContact N-O 2.88Å; Q553-S764 CarbonylContact O-C 3.46Å; Q553-S764 VanDerWaalsContact O-CA 3.3Å; Q553-S764 WeakPolarHBondContact O-CA 2.94Å; Q553-L765 PolarHBondContact O-N 3.19Å; Q553-G931 PolarHBondContact NE2-O 2.69Å
554	L	97.9	Very high	93	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128	176.6	-56.2	174.1	0	0	0	110.1	F542 T543 T545 V552 L765 L772 L776	F542-L554 CarbonylContact C-O 3.59Å; F542-L554 VanDerWaalsContact CA-O 3.26Å; F542-L554 WeakPolarHBondContact CA-O 3.49Å; F542-L554 WeakPolarHBondContact CB-O 3.49Å; T543-L554 PolarHBondContact N-O 3.03Å; T543-L554 PolarHBondContact O-N 2.97Å; T545-L554 HydrophobicContact CG2-CD1 3.9Å; T545-L554 HydrophobicContact CG2-CG 4.08Å; V552-L554 HydrophobicContact CG1-CD2 3.9Å; L554-L765 HydrophobicContact CD2-CB 4.17Å; L554-L765 HydrophobicContact CD2-CD1 4.13Å; L554-L765 HydrophobicContact CD2-CG 4.4Å; L554-L772 HydrophobicContact CD2-CD2 4.47Å; L554-L776 HydrophobicContact CD1-CD1 3.72Å; L554-L776 HydrophobicContact CD2-CD1 3.9Å; L554-L776 HydrophobicContact CD2-CD2 3.83Å; L554-L776 HydrophobicContact CD2-CG 3.8Å; L554-L776 HydrophobicContact CG-CD1 4.44Å
555	N	97.1	Very high	93.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	94.1	-176	-48.3	-86.4	0	0	0	108.6	F542 Q553 A557 S764 L765 H766 G767 R930	F542-N555 WeakPolarHBondContact CB-OD1 3.41Å; Q553-N555 PolarHBondContact NE2-OD1 3.25Å; N555-A557 PolarHBondContact O-N 2.99Å; N555-S764 PolarHBondContact ND2-OG 2.92Å; N555-L765 PolarHBondContact N-O 3.03Å; N555-L765 PolarHBondContact ND2-O 3.32Å; N555-H766 HydrophobicContact CB-CB 4.22Å; N555-H766 WeakPolarHBondContact CB-CD2 3.28Å; N555-H766 PolarHBondContact ND2-CE1 3.29Å; N555-H766 PolarHBondContact ND2-NE2 3.36Å; N555-H766 VanDerWaalsContact O-CA 3.32Å; N555-H766 WeakPolarHBondContact O-CA 3.39Å; N555-G767 PolarHBondContact O-N 2.93Å; N555-R930 PolarHBondContact OD1-O 2.82Å
556	E	95.6	Very high	93.2	Very high	144 Å²	144	34.5 Å²	34.5	67%	0.673	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.8	178.2	-168.3	177.9	156.6	0	0	110.2	G767 L772	E556-G767 WeakPolarHBondContact CA-O 3.45Å; E556-L772 HydrophobicContact CB-CD1 3.95Å; E556-L772 HydrophobicContact CG-CD1 4.34Å
557	A	91.1	Very high	93.5	Very high	9 Å²	9	28.5 Å²	28.5	7%	0.074	17%	0.166	C	C	.	.			trans	-152	146	179.8	0	0	0	0	0	111.3	N555 T559 G767 A927	N555-A557 PolarHBondContact O-N 2.99Å; A557-T559 HydrophobicContact CB-CG2 4.16Å; A557-T559 WeakPolarHBondContact O-CG2 3.39Å; A557-T559 PolarHBondContact O-N 3.27Å; A557-T559 PolarHBondContact O-OG1 3.43Å; A557-T559 VanDerWaalsContact O-OG1 3.11Å; A557-G767 PolarHBondContact N-O 3.4Å; A557-G767 CarbonylContact O-C 3.54Å; A557-A927 HydrophobicContact CB-CB 4.17Å; A557-A927 WeakPolarHBondContact CB-O 3.33Å
558	A	88.5	Confident	93.9	Very high	68 Å²	68	27.6 Å²	27.6	56%	0.562	16%	0.161	S	C	*	.			trans	-66	98.4	171.6	0	0	0	0	0	109.5	A927	A558-A927 WeakPolarHBondContact O-CB 3.47Å
559	T	90.9	Very high	94.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.031	15%	0.147	C	C	.	.			trans	-112.6	7.6	-168.5	39.7	0	0	0	0	112.2	A557 G561 L562 Y564 G767 E768 A927	A557-T559 HydrophobicContact CB-CG2 4.16Å; A557-T559 WeakPolarHBondContact O-CG2 3.39Å; A557-T559 PolarHBondContact O-N 3.27Å; A557-T559 PolarHBondContact O-OG1 3.43Å; A557-T559 VanDerWaalsContact O-OG1 3.11Å; T559-G561 VanDerWaalsContact C-N 3.34Å; T559-L562 WeakPolarHBondContact CB-O 3.25Å; T559-L562 WeakPolarHBondContact O-CB 3.29Å; T559-L562 PolarHBondContact O-N 3.19Å; T559-L562 PolarHBondContact OG1-O 3.17Å; T559-Y564 HydrophobicContact CG2-CD2 4.04Å; T559-Y564 HydrophobicContact CG2-CE2 3.78Å; T559-G767 WeakPolarHBondContact OG1-CA 3.47Å; T559-E768 PolarHBondContact N-OE1 3Å; T559-E768 PolarHBondContact OG1-N 2.99Å; T559-A927 HydrophobicContact CG2-CB 4.11Å
560	N	89.1	Confident	94.9	Very high	43 Å²	43	24.1 Å²	24.1	23%	0.23	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	39.9	175.9	-159.9	26.1	0	0	0	112.3	R405 L562 E768	R405-N560 WeakPolarHBondContact CA-ND2 3.41Å; R405-N560 PolarHBondContact O-ND2 3.03Å; N560-L562 VanDerWaalsContact C-N 3.29Å; N560-L562 PolarHBondContact O-N 3.15Å; N560-E768 PolarHBondContact N-OE1 3.35Å; N560-E768 VanDerWaalsContact N-OE1 3.14Å
561	G	90.7	Very high	95	Very high	12 Å²	12	23.2 Å²	23.2	12%	0.124	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	19.3	-176.6	0	0	0	0	0	114.9	T559 E646 E768	T559-G561 VanDerWaalsContact C-N 3.34Å; G561-E646 PolarHBondContact O-N 3.07Å; G561-E768 PolarHBondContact N-OE1 2.95Å
562	L	95	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.3	172.6	-64.3	173.1	0	0	0	111.1	L402 R405 H406 T559 N560 Y564 Y643 C644 L645	L402-L562 HydrophobicContact CD2-CD2 3.68Å; R405-L562 HydrophobicContact CB-CD1 4.02Å; R405-L562 HydrophobicContact CB-CD2 4.39Å; R405-L562 HydrophobicContact CB-CG 4.19Å; H406-L562 HydrophobicContact CB-CD1 4.4Å; T559-L562 WeakPolarHBondContact CB-O 3.25Å; T559-L562 WeakPolarHBondContact O-CB 3.29Å; T559-L562 PolarHBondContact O-N 3.19Å; T559-L562 PolarHBondContact OG1-O 3.17Å; N560-L562 VanDerWaalsContact C-N 3.29Å; N560-L562 PolarHBondContact O-N 3.15Å; L562-Y564 HydrophobicContact CB-CD2 4.45Å; L562-Y564 HydrophobicContact CB-CE2 3.68Å; L562-Y564 WeakPolarHBondContact CD1-OH 3.41Å; L562-Y643 HydrophobicContact CD2-CD2 4.27Å; L562-C644 CarbonylContact C-O 3.59Å; L562-C644 WeakPolarHBondContact CA-O 3.15Å; L562-L645 HydrophobicContact CD2-CD2 3.91Å
563	F	97.5	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.9	171.6	174.3	-99.1	0	0	0	109.7	F565 Y643 C644 I649 F652 F653 L765	F563-F565 HydrophobicContact CE1-CB 4.16Å; F563-Y643 CarbonylContact O-C 3.6Å; F563-Y643 WeakPolarHBondContact O-CA 3.24Å; F563-Y643 WeakPolarHBondContact O-CB 3.41Å; F563-C644 PolarHBondContact N-O 3Å; F563-C644 PolarHBondContact O-N 2.88Å; F563-I649 HydrophobicContact CB-CD1 3.94Å; F563-I649 HydrophobicContact CB-CG1 4.03Å; F563-I649 HydrophobicContact CD1-CD1 4.39Å; F563-I649 HydrophobicContact CD1-CG1 4.06Å; F563-I649 HydrophobicContact CD2-CD1 4.09Å; F563-I649 HydrophobicContact CG-CD1 3.89Å; F563-I649 HydrophobicContact CG-CG1 4Å; F563-F652 HydrophobicContact CE1-CD1 4.42Å; F563-F652 HydrophobicContact CE1-CE1 4.16Å; F563-F653 AromaticContact CE1-CE2 3.72Å; F563-F653 HydrophobicContact CE1-CE2 3.72Å; F563-F653 HydrophobicContact CE1-CZ 4.01Å; F563-F653 AromaticContact CZ-CE2 3.94Å; F563-F653 HydrophobicContact CZ-CE2 3.94Å; F563-F653 HydrophobicContact CZ-CZ 4.05Å; F563-L765 HydrophobicContact CE1-CD2 4.49Å; F563-L765 HydrophobicContact CE2-CB 4.01Å; F563-L765 HydrophobicContact CE2-CD1 4.17Å; F563-L765 HydrophobicContact CE2-CD2 4.36Å; F563-L765 HydrophobicContact CE2-CG 4.4Å; F563-L765 HydrophobicContact CZ-CB 4.22Å; F563-L765 HydrophobicContact CZ-CD1 4Å; F563-L765 HydrophobicContact CZ-CD2 3.69Å; F563-L765 HydrophobicContact CZ-CG 4.17Å
564	Y	97.6	Very high	93.5	Very high	21 Å²	21	30 Å²	30	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.5	178.1	-59.7	-100.3	0	0	0	110.6	H406 T559 L562 Y643 L765 H766	H406-Y564 PolarHBondContact ND1-OH 2.89Å; T559-Y564 HydrophobicContact CG2-CD2 4.04Å; T559-Y564 HydrophobicContact CG2-CE2 3.78Å; L562-Y564 HydrophobicContact CB-CD2 4.45Å; L562-Y564 HydrophobicContact CB-CE2 3.68Å; L562-Y564 WeakPolarHBondContact CD1-OH 3.41Å; Y564-Y643 HydrophobicContact CD1-CG 4.19Å; Y564-Y643 HydrophobicContact CE1-CD2 4.37Å; Y564-Y643 HydrophobicContact CE1-CG 4.02Å; Y564-L765 CarbonylContact O-C 3.57Å; Y564-L765 WeakPolarHBondContact O-CA 3.38Å; Y564-H766 HydrophobicContact CD2-CB 4.29Å; Y564-H766 HydrophobicContact CG-CB 4.49Å; Y564-H766 PolarHBondContact N-O 3.13Å; Y564-H766 PolarHBondContact O-N 2.7Å
565	F	97.9	Very high	92.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.7	-179.7	169.6	-89.9	0	0	0	109.8	F563 A567 S641 S642 F652 F653 W656 F763 L765 L779	F563-F565 HydrophobicContact CE1-CB 4.16Å; F565-A567 HydrophobicContact CE1-CB 4.01Å; F565-A567 HydrophobicContact CZ-CB 3.84Å; F565-S641 WeakPolarHBondContact O-CA 3.36Å; F565-S642 PolarHBondContact N-O 2.82Å; F565-S642 PolarHBondContact O-N 2.71Å; F565-S642 VanDerWaalsContact O-N 3.1Å; F565-F652 HydrophobicContact CB-CE1 3.68Å; F565-F652 HydrophobicContact CB-CZ 3.57Å; F565-F652 HydrophobicContact CD1-CE1 4.47Å; F565-F652 HydrophobicContact CD1-CZ 4.33Å; F565-F652 HydrophobicContact CD2-CE1 4.34Å; F565-F652 AromaticContact CG-CE1 3.94Å; F565-F652 HydrophobicContact CG-CE1 3.94Å; F565-F652 HydrophobicContact CG-CZ 4.06Å; F565-F653 HydrophobicContact CD2-CE1 4Å; F565-F653 HydrophobicContact CD2-CZ 4.01Å; F565-F653 AromaticContact CE2-CE1 3.9Å; F565-F653 HydrophobicContact CE2-CE1 3.9Å; F565-F653 HydrophobicContact CE2-CZ 4.35Å; F565-W656 AromaticContact CD1-CE2 3.98Å; F565-W656 HydrophobicContact CD1-CZ2 4.11Å; F565-W656 AromaticContact CD1-NE1 3.78Å; F565-W656 HydrophobicContact CE1-CD2 4.32Å; F565-W656 AromaticContact CE1-CE2 3.79Å; F565-W656 AromaticContact CE1-CZ2 3.98Å; F565-W656 HydrophobicContact CE1-CZ2 3.98Å; F565-W656 AromaticContact CE1-NE1 3.9Å; F565-F763 AromaticContact CE2-CD1 3.67Å; F565-F763 HydrophobicContact CE2-CD1 3.67Å; F565-F763 HydrophobicContact CE2-CE1 4.06Å; F565-F763 AromaticContact CZ-CD1 3.83Å; F565-F763 HydrophobicContact CZ-CD1 3.83Å; F565-F763 AromaticContact CZ-CE1 3.9Å; F565-F763 HydrophobicContact CZ-CE1 3.9Å; F565-L765 HydrophobicContact CD2-CD2 3.75Å; F565-L779 HydrophobicContact CE2-CD1 4.3Å
566	H	98.2	Very high	92.2	Very high	17 Å²	17	33.9 Å²	33.9	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.6	168.4	-58.3	-87.4	0	0	0	110.4	H639 L640 S641 F763 S764 H766 F935	H566-H639 AromaticContact CG-NE2 3.64Å; H566-H639 AromaticContact ND1-CE1 3.45Å; H566-H639 PolarHBondContact ND1-CE1 3.16Å; H566-H639 AromaticContact ND1-NE2 3.01Å; H566-H639 PolarHBondContact ND1-NE2 3.28Å; H566-L640 CarbonylContact C-O 3.54Å; H566-L640 VanDerWaalsContact CA-O 3.27Å; H566-L640 WeakPolarHBondContact CA-O 3.36Å; H566-S641 WeakPolarHBondContact ND1-CB 3.42Å; H566-F763 CarbonylContact O-C 3.52Å; H566-F763 VanDerWaalsContact O-CA 3.29Å; H566-F763 WeakPolarHBondContact O-CA 3.25Å; H566-S764 PolarHBondContact N-O 3.17Å; H566-S764 PolarHBondContact O-N 2.7Å; H566-H766 AromaticContact CD2-CE1 3.71Å; H566-H766 AromaticContact CD2-ND1 3.79Å; H566-F935 HydrophobicContact CB-CD1 4.36Å; H566-F935 HydrophobicContact CB-CE1 3.8Å
567	A	97.6	Very high	91.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	168.9	0	0	0	0	0	110.5	F565 H639 L640 K762 F763	F565-A567 HydrophobicContact CE1-CB 4.01Å; F565-A567 HydrophobicContact CZ-CB 3.84Å; A567-H639 WeakPolarHBondContact O-CA 3.45Å; A567-H639 PolarHBondContact O-CD2 2.78Å; A567-L640 HydrophobicContact CB-CB 4.22Å; A567-L640 HydrophobicContact CB-CD1 4.43Å; A567-L640 PolarHBondContact N-O 2.96Å; A567-L640 PolarHBondContact O-N 2.99Å; A567-K762 CarbonylContact C-O 3.17Å; A567-K762 VanDerWaalsContact CA-O 3.29Å; A567-K762 WeakPolarHBondContact CA-O 3.37Å; A567-F763 HydrophobicContact CB-CD1 3.6Å; A567-F763 HydrophobicContact CB-CE1 3.62Å
568	L	97.5	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.1	170.9	-76.3	170.9	0	0	0	109.3	F618 Q637 I638 H639 L761 K762 F935 L936	L568-F618 HydrophobicContact CD2-CD1 4.13Å; L568-F618 HydrophobicContact CD2-CG 4.45Å; L568-Q637 HydrophobicContact CD2-CB 3.98Å; L568-I638 WeakPolarHBondContact CA-O 3.32Å; L568-H639 HydrophobicContact CD2-CB 3.72Å; L568-L761 WeakPolarHBondContact O-CA 3.41Å; L568-K762 HydrophobicContact CB-CG 3.94Å; L568-K762 PolarHBondContact N-O 3.47Å; L568-K762 PolarHBondContact O-N 3.36Å; L568-K762 VanDerWaalsContact O-N 3.09Å; L568-F935 HydrophobicContact CB-CE1 4.44Å; L568-F935 HydrophobicContact CB-CZ 4.16Å; L568-F935 HydrophobicContact CD1-CD1 3.97Å; L568-F935 HydrophobicContact CD1-CE1 3.65Å; L568-F935 HydrophobicContact CD1-CE2 4.46Å; L568-F935 HydrophobicContact CD1-CZ 3.92Å; L568-F935 WeakPolarHBondContact CD1-O 3.47Å; L568-F935 HydrophobicContact CG-CD1 4.44Å; L568-F935 HydrophobicContact CG-CE1 3.66Å; L568-F935 HydrophobicContact CG-CZ 3.88Å; L568-L936 HydrophobicContact CD1-CD2 3.91Å; L568-L936 HydrophobicContact CD2-CD2 4.16Å; L568-L936 HydrophobicContact CG-CD2 4.27Å
569	A	96	Very high	92	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.8	172.8	0	0	0	0	0	110.3	Q637 I638 I755 R760 L761	A569-Q637 CarbonylContact O-C 3.59Å; A569-Q637 WeakPolarHBondContact O-CA 3.47Å; A569-Q637 WeakPolarHBondContact O-CB 3.42Å; A569-I638 HydrophobicContact CB-CB 4.3Å; A569-I638 PolarHBondContact N-O 3.35Å; A569-I638 PolarHBondContact O-N 3.02Å; A569-I755 HydrophobicContact CB-CB 3.9Å; A569-I755 HydrophobicContact CB-CG2 3.88Å; A569-R760 WeakPolarHBondContact CA-O 3.21Å; A569-L761 HydrophobicContact CB-CD2 3.65Å
570	D	93.1	Very high	92	Very high	53 Å²	53	30.6 Å²	30.6	28%	0.283	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	-179.4	-168.3	-20.3	0	0	0	112.4	K572 Y754 R760	D570-K572 VanDerWaalsContact OD1-CB 3.25Å; D570-K572 WeakPolarHBondContact OD1-CB 3.46Å; D570-K572 PolarHBondContact OD1-N 3.16Å; D570-Y754 WeakPolarHBondContact O-CE1 3.45Å; D570-R760 PolarHBondContact N-O 2.95Å
571	L	93.4	Very high	92.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.149	C	C	.	.			trans	-105.1	18	-179.9	-53.5	-177.3	0	0	0	114.1	D573 L574 L579 V582 R636 I638 W714 Y754 I755	L571-D573 PolarHBondContact O-N 2.89Å; L571-D573 VanDerWaalsContact O-N 3.08Å; L571-L574 HydrophobicContact CB-CB 4.15Å; L571-L574 HydrophobicContact CD1-CD2 4.35Å; L571-L574 HydrophobicContact CD2-CD2 4.32Å; L571-L574 WeakPolarHBondContact O-CB 3.47Å; L571-L574 PolarHBondContact O-N 3.26Å; L571-L579 HydrophobicContact CB-CD2 4.48Å; L571-L579 HydrophobicContact CD1-CD2 4.4Å; L571-V582 HydrophobicContact CD1-CG1 4Å; L571-V582 HydrophobicContact CD1-CG2 3.81Å; L571-R636 HydrophobicContact CB-CB 4.14Å; L571-R636 WeakPolarHBondContact CB-O 3.38Å; L571-R636 PolarHBondContact N-O 3.49Å; L571-I638 HydrophobicContact CD1-CG1 3.98Å; L571-I638 HydrophobicContact CD2-CD1 4.45Å; L571-I638 HydrophobicContact CD2-CG1 4.28Å; L571-I638 HydrophobicContact CG-CG1 4.41Å; L571-W714 HydrophobicContact CD1-CH2 4.04Å; L571-W714 HydrophobicContact CD1-CZ2 4.15Å; L571-Y754 HydrophobicContact CD2-CD1 4.18Å; L571-Y754 HydrophobicContact CD2-CE1 4.18Å; L571-I755 HydrophobicContact CD2-CG2 3.74Å
572	K	85.5	Confident	92.7	Very high	122 Å²	122	29.6 Å²	29.6	53%	0.53	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-42.9	-173.8	-178.1	-174.8	173.1	-169.8	0	114.9	D570	D570-K572 VanDerWaalsContact OD1-CB 3.25Å; D570-K572 WeakPolarHBondContact OD1-CB 3.46Å; D570-K572 PolarHBondContact OD1-N 3.16Å
573	D	83.9	Confident	92.8	Very high	93 Å²	93	30.2 Å²	30.2	50%	0.497	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	11.6	-175.1	-34.6	-60.6	0	0	0	112.4	L571 P575 Y754 R760	L571-D573 PolarHBondContact O-N 2.89Å; L571-D573 VanDerWaalsContact O-N 3.08Å; D573-P575 WeakPolarHBondContact O-CD 2.94Å; D573-Y754 VanDerWaalsContact CA-OH 3.24Å; D573-Y754 WeakPolarHBondContact CA-OH 3.48Å; D573-Y754 WeakPolarHBondContact CB-OH 3.35Å; D573-Y754 PolarHBondContact N-OH 2.79Å; D573-R760 IonicContact OD2-CZ 3.7Å; D573-R760 IonicContact OD2-NH1 2.79Å; D573-R760 PolarHBondContact OD2-NH1 2.7Å; D573-R760 IonicContact OD2-NH2 3.62Å; D573-R760 PolarHBondContact OD2-NH2 2.96Å
574	L	89.2	Confident	92.8	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.042	15%	0.147	C	C	.	.			trans	-69.6	128.1	179.7	-170.9	74.6	0	0	0	108.7	L571 Y576 L578 L579 V582 I751 Y754	L571-L574 HydrophobicContact CB-CB 4.15Å; L571-L574 HydrophobicContact CD1-CD2 4.35Å; L571-L574 HydrophobicContact CD2-CD2 4.32Å; L571-L574 WeakPolarHBondContact O-CB 3.47Å; L571-L574 PolarHBondContact O-N 3.26Å; L574-Y576 PolarHBondContact O-N 3.36Å; L574-L578 HydrophobicContact CD1-CB 4.14Å; L574-L578 HydrophobicContact CD1-CD1 3.86Å; L574-L578 HydrophobicContact CD2-CB 3.95Å; L574-L578 HydrophobicContact CG-CB 3.93Å; L574-L578 HydrophobicContact CG-CD1 4.48Å; L574-L579 HydrophobicContact CB-CD2 4.36Å; L574-L579 HydrophobicContact CD2-CD2 3.99Å; L574-L579 HydrophobicContact CD2-CG 4.38Å; L574-V582 HydrophobicContact CD2-CG2 3.9Å; L574-I751 HydrophobicContact CD2-CG1 4.42Å; L574-Y754 HydrophobicContact CB-CE1 4.15Å; L574-Y754 HydrophobicContact CB-CE2 4.33Å; L574-Y754 HydrophobicContact CD1-CD1 3.85Å; L574-Y754 HydrophobicContact CD1-CD2 3.71Å; L574-Y754 HydrophobicContact CD1-CE1 4.29Å; L574-Y754 HydrophobicContact CD1-CE2 4.14Å; L574-Y754 HydrophobicContact CD1-CG 3.55Å; L574-Y754 PolarHBondContact N-OH 2.75Å; L574-Y754 VanDerWaalsContact N-OH 3.12Å
575	P	86.5	Confident	92.9	Very high	35 Å²	35	29.2 Å²	29.2	23%	0.227	14%	0.143	C	C	.	.			trans	-54.1	140.1	177.6	-27.6	34.8	0	0	0	112.4	D573 E577 L578 L579	D573-P575 WeakPolarHBondContact O-CD 2.94Å; P575-E577 PolarHBondContact O-N 3.11Å; P575-E577 VanDerWaalsContact O-N 3.16Å; P575-L578 PolarHBondContact O-N 3.17Å; P575-L579 PolarHBondContact O-N 2.97Å
576	Y	81.2	Confident	92.9	Very high	78 Å²	78	29.3 Å²	29.3	31%	0.306	14%	0.144	S	C	.	.	H	α-helix	trans	-54.6	-36.8	-178.1	-176.7	-93.6	0	0	0	113.5	L574 L578 L579 L713 P808	L574-Y576 PolarHBondContact O-N 3.36Å; Y576-L578 PolarHBondContact O-N 3.16Å; Y576-L579 HydrophobicContact CD2-CD1 4.1Å; Y576-L579 WeakPolarHBondContact O-CB 3.15Å; Y576-L579 PolarHBondContact O-N 3.41Å; Y576-L579 VanDerWaalsContact O-N 3.09Å; Y576-L713 HydrophobicContact CE2-CD2 4.31Å; Y576-P808 WeakPolarHBondContact OH-CD 3.45Å; Y576-P808 WeakPolarHBondContact OH-CG 3.26Å
577	E	85.8	Confident	92.8	Very high	114 Å²	114	30 Å²	30	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-55.1	-40.7	175.1	-173.5	-177	163.2	0	0	112	P575 S580 Y581 R747	P575-E577 PolarHBondContact O-N 3.11Å; P575-E577 VanDerWaalsContact O-N 3.16Å; E577-S580 PolarHBondContact O-OG 3.25Å; E577-Y581 WeakPolarHBondContact O-CD2 3.5Å; E577-R747 IonicContact OE1-CZ 3.21Å; E577-R747 IonicContact OE1-NE 3.63Å; E577-R747 PolarHBondContact OE1-NE 2.91Å; E577-R747 IonicContact OE1-NH2 2.67Å; E577-R747 PolarHBondContact OE1-NH2 3.14Å
578	L	93.3	Very high	92.7	Very high	16 Å²	16	30 Å²	30	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-79.4	-25.1	178.7	-62.8	-179	0	0	0	112.8	L574 P575 Y576 S580 Y581 V582 R747 A750 I751	L574-L578 HydrophobicContact CD1-CB 4.14Å; L574-L578 HydrophobicContact CD1-CD1 3.86Å; L574-L578 HydrophobicContact CD2-CB 3.95Å; L574-L578 HydrophobicContact CG-CB 3.93Å; L574-L578 HydrophobicContact CG-CD1 4.48Å; P575-L578 PolarHBondContact O-N 3.17Å; Y576-L578 PolarHBondContact O-N 3.16Å; L578-S580 PolarHBondContact O-N 3.36Å; L578-Y581 PolarHBondContact O-N 2.93Å; L578-V582 PolarHBondContact O-N 2.61Å; L578-R747 HydrophobicContact CD2-CB 3.77Å; L578-R747 HydrophobicContact CD2-CG 3.65Å; L578-A750 HydrophobicContact CD1-CB 3.83Å; L578-A750 HydrophobicContact CD2-CB 4.42Å; L578-I751 HydrophobicContact CB-CD1 4.45Å; L578-I751 HydrophobicContact CB-CG1 4.12Å; L578-I751 HydrophobicContact CD1-CG1 4.49Å
579	L	92.5	Very high	92.8	Very high	4 Å²	4	30 Å²	30	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-38.1	177.4	-74.6	171.2	0	0	0	112.1	L571 L574 P575 Y576 Y581 V582 F631 L713 W714	L571-L579 HydrophobicContact CB-CD2 4.48Å; L571-L579 HydrophobicContact CD1-CD2 4.4Å; L574-L579 HydrophobicContact CB-CD2 4.36Å; L574-L579 HydrophobicContact CD2-CD2 3.99Å; L574-L579 HydrophobicContact CD2-CG 4.38Å; P575-L579 PolarHBondContact O-N 2.97Å; Y576-L579 HydrophobicContact CD2-CD1 4.1Å; Y576-L579 WeakPolarHBondContact O-CB 3.15Å; Y576-L579 PolarHBondContact O-N 3.41Å; Y576-L579 VanDerWaalsContact O-N 3.09Å; L579-Y581 PolarHBondContact O-N 2.83Å; L579-V582 HydrophobicContact CD2-CG2 4.48Å; L579-V582 WeakPolarHBondContact O-CB 3.41Å; L579-V582 WeakPolarHBondContact O-CG2 3.35Å; L579-V582 PolarHBondContact O-N 3.43Å; L579-F631 HydrophobicContact CD1-CZ 4.05Å; L579-L713 HydrophobicContact CB-CD2 4.46Å; L579-W714 HydrophobicContact CD2-CZ2 3.94Å; L579-W714 PolarHBondContact O-NE1 3.11Å
580	S	91.5	Very high	92.8	Very high	22 Å²	22	31.1 Å²	31.1	15%	0.154	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.7	176.6	66.7	0	0	0	0	114.1	E577 L578	E577-S580 PolarHBondContact O-OG 3.25Å; L578-S580 PolarHBondContact O-N 3.36Å
581	Y	95.8	Very high	92.9	Very high	35 Å²	35	31.3 Å²	31.3	14%	0.137	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-2.7	-179.3	-75.1	-91.9	0	0	0	113.3	E577 L578 L579 L584 F585 I726 M748	E577-Y581 WeakPolarHBondContact O-CD2 3.5Å; L578-Y581 PolarHBondContact O-N 2.93Å; L579-Y581 PolarHBondContact O-N 2.83Å; Y581-L584 HydrophobicContact CD1-CD2 4.15Å; Y581-L584 PolarHBondContact O-N 3.03Å; Y581-F585 WeakPolarHBondContact O-CB 3.28Å; Y581-F585 PolarHBondContact O-N 3.01Å; Y581-I726 HydrophobicContact CD1-CD1 4.28Å; Y581-I726 HydrophobicContact CE1-CD1 3.71Å; Y581-M748 HydrophobicContact CD1-CE 4.03Å; Y581-M748 HydrophobicContact CG-CE 4.33Å
582	V	98.1	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-44.8	-179.5	174.4	0	0	0	0	112.7	L571 L574 L578 L579 L584 F585 C586 P617 I638 W714 I751	L571-V582 HydrophobicContact CD1-CG1 4Å; L571-V582 HydrophobicContact CD1-CG2 3.81Å; L574-V582 HydrophobicContact CD2-CG2 3.9Å; L578-V582 PolarHBondContact O-N 2.61Å; L579-V582 HydrophobicContact CD2-CG2 4.48Å; L579-V582 WeakPolarHBondContact O-CB 3.41Å; L579-V582 WeakPolarHBondContact O-CG2 3.35Å; L579-V582 PolarHBondContact O-N 3.43Å; V582-L584 VanDerWaalsContact C-N 3.32Å; V582-L584 PolarHBondContact O-N 3.01Å; V582-F585 WeakPolarHBondContact O-CB 3.13Å; V582-F585 PolarHBondContact O-N 2.86Å; V582-C586 PolarHBondContact O-N 3.16Å; V582-C586 PolarHBondContact O-SG 3.35Å; V582-P617 HydrophobicContact CG1-CB 4.12Å; V582-I638 HydrophobicContact CG1-CD1 4.01Å; V582-I638 HydrophobicContact CG1-CG1 3.85Å; V582-W714 HydrophobicContact CB-CZ2 4.09Å; V582-W714 HydrophobicContact CG1-CH2 4.48Å; V582-W714 HydrophobicContact CG1-CZ2 4.07Å; V582-W714 HydrophobicContact CG2-CZ2 4.18Å; V582-I751 HydrophobicContact CG2-CD1 4.45Å
583	P	97.7	Very high	93.5	Very high	12 Å²	12	25.9 Å²	25.9	8%	0.078	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-41.4	177	-21.2	32.6	0	0	0	112.2	C586 S587 P617 W714 Q719	P583-C586 WeakPolarHBondContact O-CB 3.05Å; P583-C586 PolarHBondContact O-N 2.85Å; P583-S587 PolarHBondContact O-N 3.17Å; P583-P617 HydrophobicContact CB-CG 4.2Å; P583-P617 HydrophobicContact CG-CB 4.45Å; P583-P617 HydrophobicContact CG-CG 4.27Å; P583-W714 HydrophobicContact CG-CB 3.82Å; P583-W714 HydrophobicContact CG-CG 3.84Å; P583-Q719 HydrophobicContact CB-CG 4.38Å; P583-Q719 HydrophobicContact CG-CG 4.36Å
584	L	97.2	Very high	94.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-46.4	175.9	174.7	57.7	0	0	0	111	Y581 V582 C586 S587 L588 I675 M723 I726 I744 M748	Y581-L584 HydrophobicContact CD1-CD2 4.15Å; Y581-L584 PolarHBondContact O-N 3.03Å; V582-L584 VanDerWaalsContact C-N 3.32Å; V582-L584 PolarHBondContact O-N 3.01Å; L584-C586 VanDerWaalsContact C-N 3.3Å; L584-C586 PolarHBondContact O-N 3.05Å; L584-S587 PolarHBondContact O-N 2.95Å; L584-S587 VanDerWaalsContact O-N 3.16Å; L584-S587 PolarHBondContact O-OG 3.22Å; L584-L588 HydrophobicContact CD1-CD1 3.65Å; L584-L588 HydrophobicContact CD1-CG 3.92Å; L584-L588 HydrophobicContact CG-CD1 3.87Å; L584-L588 WeakPolarHBondContact O-CG 3.2Å; L584-L588 PolarHBondContact O-N 2.99Å; L584-L588 VanDerWaalsContact O-N 3.11Å; L584-I675 HydrophobicContact CD1-CD1 4.28Å; L584-I675 HydrophobicContact CD1-CG1 3.7Å; L584-I675 HydrophobicContact CD2-CD1 4.46Å; L584-M723 HydrophobicContact CB-SD 4.23Å; L584-M723 HydrophobicContact CD1-CE 4.12Å; L584-M723 HydrophobicContact CD1-SD 4.28Å; L584-I726 HydrophobicContact CD2-CD1 3.9Å; L584-I744 HydrophobicContact CD2-CG2 4.1Å; L584-M748 HydrophobicContact CD2-CE 4.39Å; L584-M748 HydrophobicContact CG-CE 4.36Å; L584-M748 HydrophobicContact CG-SD 4.37Å
585	F	98.2	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-53.2	-48.7	173.4	171.4	-88.9	0	0	0	111.7	Y581 V582 S587 L588 F589 I638 W665 M748 I751 W752 I755	Y581-F585 WeakPolarHBondContact O-CB 3.28Å; Y581-F585 PolarHBondContact O-N 3.01Å; V582-F585 WeakPolarHBondContact O-CB 3.13Å; V582-F585 PolarHBondContact O-N 2.86Å; F585-S587 VanDerWaalsContact C-N 3.33Å; F585-S587 PolarHBondContact O-N 3.06Å; F585-L588 PolarHBondContact O-N 3.48Å; F585-F589 HydrophobicContact CD1-CB 4.4Å; F585-F589 HydrophobicContact CE1-CB 3.96Å; F585-F589 HydrophobicContact CE1-CD1 4.21Å; F585-F589 HydrophobicContact CE1-CD2 4.48Å; F585-F589 AromaticContact CE1-CG 3.98Å; F585-F589 HydrophobicContact CE1-CG 3.98Å; F585-F589 HydrophobicContact CE2-CB 4.3Å; F585-F589 HydrophobicContact CE2-CD2 4.1Å; F585-F589 HydrophobicContact CE2-CG 4.31Å; F585-F589 HydrophobicContact CZ-CB 3.9Å; F585-F589 HydrophobicContact CZ-CD1 4.14Å; F585-F589 AromaticContact CZ-CD2 3.7Å; F585-F589 HydrophobicContact CZ-CD2 3.7Å; F585-F589 HydrophobicContact CZ-CE2 4.23Å; F585-F589 AromaticContact CZ-CG 3.64Å; F585-F589 HydrophobicContact CZ-CG 3.64Å; F585-F589 VanDerWaalsContact O-CB 3.25Å; F585-F589 WeakPolarHBondContact O-CB 3.35Å; F585-F589 PolarHBondContact O-N 3.33Å; F585-I638 HydrophobicContact CD1-CD1 3.57Å; F585-I638 HydrophobicContact CE1-CD1 3.63Å; F585-W665 AromaticContact CD2-CH2 3.75Å; F585-W665 HydrophobicContact CD2-CH2 3.75Å; F585-W665 HydrophobicContact CD2-CZ2 4.06Å; F585-W665 AromaticContact CE2-CH2 3.72Å; F585-W665 HydrophobicContact CE2-CH2 3.72Å; F585-W665 AromaticContact CE2-CZ2 3.58Å; F585-W665 HydrophobicContact CE2-CZ2 3.58Å; F585-M748 WeakPolarHBondContact CA-SD 3.29Å; F585-M748 HydrophobicContact CB-CE 4.2Å; F585-M748 HydrophobicContact CB-SD 3.74Å; F585-M748 HydrophobicContact CD2-SD 4.14Å; F585-M748 HydrophobicContact CG-SD 4.45Å; F585-I751 HydrophobicContact CB-CD1 4Å; F585-I751 HydrophobicContact CB-CG2 4.2Å; F585-I751 HydrophobicContact CD1-CG2 3.82Å; F585-I751 HydrophobicContact CD2-CB 3.89Å; F585-I751 HydrophobicContact CD2-CG2 3.73Å; F585-I751 HydrophobicContact CE1-CG2 4.14Å; F585-I751 HydrophobicContact CE2-CB 4.29Å; F585-I751 HydrophobicContact CE2-CG2 4.03Å; F585-I751 HydrophobicContact CG-CB 4.18Å; F585-I751 HydrophobicContact CG-CD1 4.48Å; F585-I751 HydrophobicContact CG-CG2 3.61Å; F585-I751 HydrophobicContact CZ-CG2 4.24Å; F585-W752 HydrophobicContact CE2-CB 3.87Å; F585-W752 HydrophobicContact CZ-CB 4.36Å; F585-I755 HydrophobicContact CE1-CD1 3.77Å; F585-I755 HydrophobicContact CZ-CD1 3.63Å; F585-I755 HydrophobicContact CZ-CG1 4.49Å
586	C	98.2	Very high	94.7	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-40.9	178.7	-70.5	0	0	0	0	112.5	V582 P583 L584 L588 A615 S616	V582-C586 PolarHBondContact O-N 3.16Å; V582-C586 PolarHBondContact O-SG 3.35Å; P583-C586 WeakPolarHBondContact O-CB 3.05Å; P583-C586 PolarHBondContact O-N 2.85Å; L584-C586 VanDerWaalsContact C-N 3.3Å; L584-C586 PolarHBondContact O-N 3.05Å; C586-L588 VanDerWaalsContact C-N 3.26Å; C586-L588 PolarHBondContact O-N 3.14Å; C586-A615 HydrophobicContact CB-CB 4.07Å; C586-A615 WeakPolarHBondContact CB-O 3.33Å; C586-S616 VanDerWaalsContact SG-C 3.56Å
587	S	95.8	Very high	95.5	Very high	31 Å²	31	24.4 Å²	24.4	22%	0.217	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-24.2	178.2	73.7	0	0	0	0	114	P583 L584 F585	P583-S587 PolarHBondContact O-N 3.17Å; L584-S587 PolarHBondContact O-N 2.95Å; L584-S587 VanDerWaalsContact O-N 3.16Å; L584-S587 PolarHBondContact O-OG 3.22Å; F585-S587 VanDerWaalsContact C-N 3.33Å; F585-S587 PolarHBondContact O-N 3.06Å
588	L	97.4	Very high	96	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-96.5	-42.8	-177.5	-67	172.4	0	0	0	112.5	L584 F585 C586 T590 R591 L592 W665 L671 V674 I675 M748	L584-L588 HydrophobicContact CD1-CD1 3.65Å; L584-L588 HydrophobicContact CD1-CG 3.92Å; L584-L588 HydrophobicContact CG-CD1 3.87Å; L584-L588 WeakPolarHBondContact O-CG 3.2Å; L584-L588 PolarHBondContact O-N 2.99Å; L584-L588 VanDerWaalsContact O-N 3.11Å; F585-L588 PolarHBondContact O-N 3.48Å; C586-L588 VanDerWaalsContact C-N 3.26Å; C586-L588 PolarHBondContact O-N 3.14Å; L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.19Å; L588-T590 VanDerWaalsContact O-N 3.15Å; L588-R591 WeakPolarHBondContact O-CA 3.48Å; L588-R591 WeakPolarHBondContact O-CB 3.35Å; L588-R591 PolarHBondContact O-N 3.4Å; L588-L592 WeakPolarHBondContact O-CG 3.49Å; L588-W665 HydrophobicContact CB-CZ3 4.13Å; L588-W665 HydrophobicContact CD1-CZ3 4.44Å; L588-L671 HydrophobicContact CB-CD2 4.43Å; L588-L671 HydrophobicContact CD1-CD2 3.89Å; L588-L671 HydrophobicContact CD2-CD2 3.82Å; L588-L671 HydrophobicContact CG-CD2 4.27Å; L588-V674 HydrophobicContact CD2-CB 3.77Å; L588-V674 HydrophobicContact CD2-CG1 3.57Å; L588-I675 HydrophobicContact CD1-CD1 4.46Å; L588-I675 HydrophobicContact CD1-CG1 4.47Å; L588-I675 HydrophobicContact CD2-CG1 4.23Å; L588-M748 HydrophobicContact CD1-CG 4.29Å; L588-M748 HydrophobicContact CD1-SD 3.9Å
589	F	97.5	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-54.5	-42.2	-164.5	-179.7	-122.8	0	0	0	113.3	F585 R591 A615 L640 L659 F660 P663 W665 W752	F585-F589 HydrophobicContact CD1-CB 4.4Å; F585-F589 HydrophobicContact CE1-CB 3.96Å; F585-F589 HydrophobicContact CE1-CD1 4.21Å; F585-F589 HydrophobicContact CE1-CD2 4.48Å; F585-F589 AromaticContact CE1-CG 3.98Å; F585-F589 HydrophobicContact CE1-CG 3.98Å; F585-F589 HydrophobicContact CE2-CB 4.3Å; F585-F589 HydrophobicContact CE2-CD2 4.1Å; F585-F589 HydrophobicContact CE2-CG 4.31Å; F585-F589 HydrophobicContact CZ-CB 3.9Å; F585-F589 HydrophobicContact CZ-CD1 4.14Å; F585-F589 AromaticContact CZ-CD2 3.7Å; F585-F589 HydrophobicContact CZ-CD2 3.7Å; F585-F589 HydrophobicContact CZ-CE2 4.23Å; F585-F589 AromaticContact CZ-CG 3.64Å; F585-F589 HydrophobicContact CZ-CG 3.64Å; F585-F589 VanDerWaalsContact O-CB 3.25Å; F585-F589 WeakPolarHBondContact O-CB 3.35Å; F585-F589 PolarHBondContact O-N 3.33Å; F589-R591 VanDerWaalsContact C-N 3.26Å; F589-R591 PolarHBondContact O-N 2.93Å; F589-A615 HydrophobicContact CD1-CB 4.46Å; F589-L640 HydrophobicContact CD1-CD2 4.35Å; F589-L640 HydrophobicContact CE1-CD2 4.37Å; F589-L659 HydrophobicContact CD1-CD2 4.21Å; F589-L659 HydrophobicContact CD2-CD1 4.48Å; F589-L659 HydrophobicContact CE1-CD2 3.88Å; F589-L659 HydrophobicContact CE1-CG 4.21Å; F589-L659 HydrophobicContact CE2-CD1 4.24Å; F589-L659 HydrophobicContact CE2-CD2 4.42Å; F589-L659 HydrophobicContact CE2-CG 3.96Å; F589-L659 HydrophobicContact CZ-CD2 4Å; F589-L659 HydrophobicContact CZ-CG 3.8Å; F589-L659 VanDerWaalsContact O-CD1 3.27Å; F589-L659 WeakPolarHBondContact O-CD1 3.46Å; F589-F660 HydrophobicContact CE1-CE2 4.07Å; F589-F660 HydrophobicContact CE1-CZ 4.48Å; F589-F660 HydrophobicContact CZ-CD2 4.15Å; F589-F660 HydrophobicContact CZ-CE2 4.1Å; F589-P663 HydrophobicContact CE2-CB 4.37Å; F589-P663 HydrophobicContact CE2-CG 4.37Å; F589-W665 HydrophobicContact CB-CH2 4.45Å; F589-W665 HydrophobicContact CD2-CH2 4.38Å; F589-W665 AromaticContact CD2-CZ2 3.94Å; F589-W665 HydrophobicContact CD2-CZ2 3.94Å; F589-W752 AromaticContact CE2-CD1 3.89Å
590	T	96	Very high	96.1	Very high	22 Å²	22	22.8 Å²	22.8	14%	0.135	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.9	-179	59.6	0	0	0	0	114.3	L588 F613 A615 L659	L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.19Å; L588-T590 VanDerWaalsContact O-N 3.15Å; T590-F613 VanDerWaalsContact CB-O 3.28Å; T590-F613 WeakPolarHBondContact CB-O 3.38Å; T590-F613 HydrophobicContact CG2-CB 3.75Å; T590-F613 PolarHBondContact OG1-O 2.84Å; T590-F613 VanDerWaalsContact OG1-O 3.12Å; T590-A615 HydrophobicContact CG2-CB 3.95Å; T590-L659 HydrophobicContact CG2-CD2 4.46Å
591	R	95.6	Very high	96.3	Very high	57 Å²	57	26.4 Å²	26.4	22%	0.215	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	14.5	-174.7	-68.4	-170.2	71.2	-171.3	2.1	113.6	D324 L588 F589 R670 V674	D324-R591 IonicContact OD1-CZ 3.56Å; D324-R591 IonicContact OD1-NH2 3.75Å; D324-R591 PolarHBondContact OD1-NH2 3.03Å; D324-R591 IonicContact OD2-NE 3.87Å; D324-R591 IonicContact OD2-NH2 2.69Å; L588-R591 WeakPolarHBondContact O-CA 3.48Å; L588-R591 WeakPolarHBondContact O-CB 3.35Å; L588-R591 PolarHBondContact O-N 3.4Å; F589-R591 VanDerWaalsContact C-N 3.26Å; F589-R591 PolarHBondContact O-N 2.93Å; R591-R670 PolarHBondContact O-NE 3.37Å; R591-R670 VanDerWaalsContact O-NE 3.16Å; R591-R670 PolarHBondContact O-NH2 2.94Å; R591-V674 VanDerWaalsContact NH1-CG1 3.35Å
592	L	95.8	Very high	96.3	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	15%	0.154	C	C	.	.	S	Bend	trans	-98.3	161.2	179.4	-56.2	177.4	0	0	0	112	L588 P663 W665 L671	L588-L592 WeakPolarHBondContact O-CG 3.49Å; L592-P663 HydrophobicContact CD1-CB 4.12Å; L592-W665 HydrophobicContact CD1-CD2 3.7Å; L592-W665 HydrophobicContact CD1-CE3 3.59Å; L592-W665 HydrophobicContact CD1-CG 4.45Å; L592-W665 HydrophobicContact CD1-CH2 3.65Å; L592-W665 HydrophobicContact CD1-CZ2 3.74Å; L592-W665 HydrophobicContact CD1-CZ3 3.57Å; L592-L671 HydrophobicContact CD2-CD2 3.69Å
593	G	97.2	Very high	96.2	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	16%	0.161	C	C	.	.			trans	-67.6	162.4	157.9	0	0	0	0	0	111.3	M597 S598 D664	G593-M597 CarbonylContact C-O 3.58Å; G593-M597 WeakPolarHBondContact CA-O 3.46Å; G593-S598 VanDerWaalsContact CA-C 3.49Å; G593-D664 PolarHBondContact O-N 3.16Å
594	A	96.5	Very high	95.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-159.1	149.7	176	0	0	0	0	0	112.8	G596 M597 M602 K658 L659 S662	A594-G596 PolarHBondContact O-N 2.65Å; A594-G596 VanDerWaalsContact O-N 3.15Å; A594-M597 PolarHBondContact N-O 3.29Å; A594-M597 VanDerWaalsContact O-CB 3.29Å; A594-M597 WeakPolarHBondContact O-CB 3.36Å; A594-M597 PolarHBondContact O-N 3.45Å; A594-M602 HydrophobicContact CB-CE 4.15Å; A594-M602 HydrophobicContact CB-CG 4.38Å; A594-M602 HydrophobicContact CB-SD 4.14Å; A594-K658 HydrophobicContact CB-CB 4.34Å; A594-L659 HydrophobicContact CB-CD1 4.29Å; A594-S662 CarbonylContact C-O 3.37Å; A594-S662 VanDerWaalsContact CA-O 3.23Å; A594-S662 WeakPolarHBondContact CA-O 3.38Å
595	D	94.4	Very high	95.8	Very high	56 Å²	56	28.9 Å²	28.9	30%	0.299	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.6	172	-158.4	55.7	0	0	0	113.7	M597 K658 R661 S662	D595-M597 VanDerWaalsContact C-N 3.33Å; D595-K658 HydrophobicContact CB-CB 3.75Å; D595-K658 HydrophobicContact CB-CD 4.06Å; D595-K658 HydrophobicContact CB-CG 3.73Å; D595-K658 IonicContact OD2-NZ 3.93Å; D595-K658 PolarHBondContact OD2-NZ 3.36Å; D595-R661 IonicContact OD1-NH1 2.95Å; D595-R661 PolarHBondContact OD1-NH1 3.43Å; D595-R661 IonicContact OD2-NH1 3.59Å; D595-R661 PolarHBondContact OD2-NH1 2.66Å; D595-R661 VanDerWaalsContact OD2-NH1 3.12Å; D595-S662 WeakPolarHBondContact CA-OG 3.49Å; D595-S662 PolarHBondContact N-O 3.19Å; D595-S662 PolarHBondContact N-OG 2.84Å; D595-S662 VanDerWaalsContact N-OG 3.14Å; D595-S662 PolarHBondContact OD1-OG 2.8Å
596	G	94	Very high	95.7	Very high	84 Å²	84	29.5 Å²	29.5	87%	0.866	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-6.2	-178.1	0	0	0	0	0	115.1	A594	A594-G596 PolarHBondContact O-N 2.65Å; A594-G596 VanDerWaalsContact O-N 3.15Å
597	M	96.6	Very high	95.5	Very high	41 Å²	41	31.5 Å²	31.5	20%	0.202	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-82.9	135.4	170.7	-61.5	174.3	63.6	0	0	110	G593 A594 D595 E601 M602 A605 K658	G593-M597 CarbonylContact C-O 3.58Å; G593-M597 WeakPolarHBondContact CA-O 3.46Å; A594-M597 PolarHBondContact N-O 3.29Å; A594-M597 VanDerWaalsContact O-CB 3.29Å; A594-M597 WeakPolarHBondContact O-CB 3.36Å; A594-M597 PolarHBondContact O-N 3.45Å; D595-M597 VanDerWaalsContact C-N 3.33Å; M597-E601 HydrophobicContact CB-CB 4.04Å; M597-E601 HydrophobicContact CE-CB 3.84Å; M597-E601 VanDerWaalsContact CE-O 3.31Å; M597-E601 WeakPolarHBondContact CE-O 3.36Å; M597-M602 HydrophobicContact CB-CG 3.88Å; M597-M602 HydrophobicContact CB-SD 4.09Å; M597-M602 HydrophobicContact CE-CG 4.42Å; M597-M602 HydrophobicContact CE-SD 3.91Å; M597-M602 HydrophobicContact SD-SD 3.75Å; M597-A605 HydrophobicContact CE-CB 3.94Å; M597-K658 HydrophobicContact SD-CD 3.66Å
598	S	95.9	Very high	95.4	Very high	46 Å²	46	32.2 Å²	32.2	32%	0.322	19%	0.189	S	C	.	.			trans	-62.3	163.7	166.8	62.3	0	0	0	0	111.4	G593 S600 E601 M602	G593-S598 VanDerWaalsContact CA-C 3.49Å; S598-S600 PolarHBondContact O-N 3.32Å; S598-E601 WeakPolarHBondContact CB-OE2 3.43Å; S598-E601 PolarHBondContact N-OE2 3.08Å; S598-E601 PolarHBondContact O-N 3.2Å; S598-E601 VanDerWaalsContact OG-CG 3.32Å; S598-E601 WeakPolarHBondContact OG-CG 3.35Å; S598-E601 PolarHBondContact OG-N 3.1Å; S598-E601 PolarHBondContact OG-OE2 3.29Å; S598-M602 PolarHBondContact O-N 3.46Å
599	Y	95.3	Very high	95.3	Very high	25 Å²	25	33.6 Å²	33.6	10%	0.098	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-34.8	175.2	80.1	-98.7	0	0	0	111.3	D324 E334 M602 D603 R670	D324-Y599 HydrophobicContact CB-CD2 4.2Å; D324-Y599 HydrophobicContact CB-CE2 3.86Å; E334-Y599 PolarHBondContact OE1-OH 3.4Å; E334-Y599 PolarHBondContact OE2-OH 3.44Å; Y599-M602 PolarHBondContact O-N 3.09Å; Y599-D603 VanDerWaalsContact O-CB 3.28Å; Y599-D603 WeakPolarHBondContact O-CB 3.31Å; Y599-D603 PolarHBondContact O-N 2.94Å; Y599-R670 HydrophobicContact CD1-CB 4.28Å; Y599-R670 HydrophobicContact CD1-CG 3.99Å; Y599-R670 HydrophobicContact CG-CG 4.15Å
600	S	93.9	Very high	95.3	Very high	30 Å²	30	33.6 Å²	33.6	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-46.3	177.9	166.4	0	0	0	0	111.7	N325 S598 Q604	N325-S600 PolarHBondContact ND2-O 2.92Å; N325-S600 VanDerWaalsContact OD1-CB 3.27Å; N325-S600 WeakPolarHBondContact OD1-CB 3.4Å; N325-S600 PolarHBondContact OD1-OG 3.29Å; S598-S600 PolarHBondContact O-N 3.32Å; S600-Q604 WeakPolarHBondContact O-CB 3.3Å; S600-Q604 PolarHBondContact O-N 3.18Å
601	E	95.2	Very high	95.2	Very high	97 Å²	97	33.5 Å²	33.5	45%	0.453	20%	0.198	S	C	.	.	H	α-helix	trans	-68.2	-37.8	176.5	-71.2	163.6	131.2	0	0	111.8	M597 S598 A605	M597-E601 HydrophobicContact CB-CB 4.04Å; M597-E601 HydrophobicContact CE-CB 3.84Å; M597-E601 VanDerWaalsContact CE-O 3.31Å; M597-E601 WeakPolarHBondContact CE-O 3.36Å; S598-E601 WeakPolarHBondContact CB-OE2 3.43Å; S598-E601 PolarHBondContact N-OE2 3.08Å; S598-E601 PolarHBondContact O-N 3.2Å; S598-E601 VanDerWaalsContact OG-CG 3.32Å; S598-E601 WeakPolarHBondContact OG-CG 3.35Å; S598-E601 PolarHBondContact OG-N 3.1Å; S598-E601 PolarHBondContact OG-OE2 3.29Å; E601-A605 WeakPolarHBondContact O-CB 3.27Å; E601-A605 PolarHBondContact O-N 3.08Å
602	M	96.3	Very high	95.2	Very high	4 Å²	4	32 Å²	32	2%	0.02	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-49.2	174.8	-79.1	-62	-66.1	0	0	111.6	A594 M597 S598 Y599 Q604 A605 L606 L655 L659	A594-M602 HydrophobicContact CB-CE 4.15Å; A594-M602 HydrophobicContact CB-CG 4.38Å; A594-M602 HydrophobicContact CB-SD 4.14Å; M597-M602 HydrophobicContact CB-CG 3.88Å; M597-M602 HydrophobicContact CB-SD 4.09Å; M597-M602 HydrophobicContact CE-CG 4.42Å; M597-M602 HydrophobicContact CE-SD 3.91Å; M597-M602 HydrophobicContact SD-SD 3.75Å; S598-M602 PolarHBondContact O-N 3.46Å; Y599-M602 PolarHBondContact O-N 3.09Å; M602-Q604 PolarHBondContact O-N 3.26Å; M602-A605 PolarHBondContact O-N 3.36Å; M602-L606 VanDerWaalsContact O-CG 3.25Å; M602-L606 WeakPolarHBondContact O-CG 3.41Å; M602-L606 PolarHBondContact O-N 2.61Å; M602-L655 HydrophobicContact CE-CD2 4.35Å; M602-L655 HydrophobicContact SD-CD2 4.36Å; M602-L659 HydrophobicContact CE-CB 4.44Å
603	D	94.5	Very high	95.3	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.144	20%	0.202	C	C	.	.	H	α-helix	trans	-55.6	-50	177.2	-178.6	62.2	0	0	0	111.3	D324 N325 Y599 A605 L606 E607	D324-D603 PolarHBondContact N-OD2 3.49Å; N325-D603 PolarHBondContact ND2-OD2 2.87Å; Y599-D603 VanDerWaalsContact O-CB 3.28Å; Y599-D603 WeakPolarHBondContact O-CB 3.31Å; Y599-D603 PolarHBondContact O-N 2.94Å; D603-A605 PolarHBondContact O-N 3.49Å; D603-L606 WeakPolarHBondContact O-CB 3.19Å; D603-L606 PolarHBondContact O-N 3.26Å; D603-E607 WeakPolarHBondContact O-CG 3.47Å; D603-E607 PolarHBondContact O-N 3.31Å
604	Q	93.1	Very high	95.3	Very high	52 Å²	52	35.9 Å²	35.9	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-41.4	177.6	-175.3	175.8	67.5	0	0	112.6	E391 S600 M602 L606 E607 L608	E391-Q604 HydrophobicContact CB-CG 4.43Å; S600-Q604 WeakPolarHBondContact O-CB 3.3Å; S600-Q604 PolarHBondContact O-N 3.18Å; M602-Q604 PolarHBondContact O-N 3.26Å; Q604-L606 VanDerWaalsContact C-N 3.34Å; Q604-E607 PolarHBondContact O-N 3.28Å; Q604-L608 WeakPolarHBondContact O-CB 3.44Å; Q604-L608 PolarHBondContact O-N 3.16Å
605	A	95.2	Very high	95.4	Very high	17 Å²	17	36.4 Å²	36.4	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-36	178.2	0	0	0	0	0	112.2	M597 E601 M602 D603 L608 H609 L655	M597-A605 HydrophobicContact CE-CB 3.94Å; E601-A605 WeakPolarHBondContact O-CB 3.27Å; E601-A605 PolarHBondContact O-N 3.08Å; M602-A605 PolarHBondContact O-N 3.36Å; D603-A605 PolarHBondContact O-N 3.49Å; A605-L608 PolarHBondContact O-N 3.07Å; A605-H609 WeakPolarHBondContact O-CB 3.48Å; A605-H609 PolarHBondContact O-CD2 3.33Å; A605-H609 PolarHBondContact O-N 3.4Å; A605-L655 HydrophobicContact CB-CD1 4.34Å; A605-L655 HydrophobicContact CB-CD2 3.73Å
606	L	95.8	Very high	95.6	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-48.4	173.8	-70.7	170.7	0	0	0	110.9	M602 D603 Q604 L608 H609 T610 F613 L655	M602-L606 VanDerWaalsContact O-CG 3.25Å; M602-L606 WeakPolarHBondContact O-CG 3.41Å; M602-L606 PolarHBondContact O-N 2.61Å; D603-L606 WeakPolarHBondContact O-CB 3.19Å; D603-L606 PolarHBondContact O-N 3.26Å; Q604-L606 VanDerWaalsContact C-N 3.34Å; L606-L608 VanDerWaalsContact C-N 3.26Å; L606-L608 PolarHBondContact O-N 3.03Å; L606-H609 PolarHBondContact O-N 2.78Å; L606-T610 HydrophobicContact CD2-CG2 4.33Å; L606-T610 CarbonylContact O-C 3.46Å; L606-T610 WeakPolarHBondContact O-CA 3.1Å; L606-T610 WeakPolarHBondContact O-CB 3.42Å; L606-T610 PolarHBondContact O-N 3.23Å; L606-T610 PolarHBondContact O-OG1 2.66Å; L606-F613 HydrophobicContact CD1-CD2 4.5Å; L606-F613 HydrophobicContact CD2-CB 4.35Å; L606-F613 HydrophobicContact CD2-CD1 3.57Å; L606-F613 HydrophobicContact CD2-CD2 3.49Å; L606-F613 VanDerWaalsContact CD2-CD2 3.49Å; L606-F613 HydrophobicContact CD2-CE1 3.62Å; L606-F613 HydrophobicContact CD2-CE2 3.52Å; L606-F613 HydrophobicContact CD2-CG 3.53Å; L606-F613 HydrophobicContact CD2-CZ 3.59Å; L606-L655 HydrophobicContact CD2-CB 4.32Å; L606-L655 HydrophobicContact CD2-CD1 4.04Å
607	E	93.3	Very high	95.8	Very high	46 Å²	46	33.1 Å²	33.1	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-28.6	178	-67.4	-173.8	159	0	0	113.1	A395 H398 Q399 D603 Q604	A395-E607 HydrophobicContact CB-CB 3.86Å; H398-E607 PolarHBondContact CD2-O 3.09Å; Q399-E607 PolarHBondContact NE2-O 3.45Å; D603-E607 WeakPolarHBondContact O-CG 3.47Å; D603-E607 PolarHBondContact O-N 3.31Å; Q604-E607 PolarHBondContact O-N 3.28Å
608	L	93.9	Very high	95.8	Very high	47 Å²	47	33 Å²	33	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-82.7	-20	-179.1	-171.4	62.6	0	0	0	113.8	E394 A395 H398 Q604 A605 L606	E394-L608 HydrophobicContact CB-CD1 4.28Å; A395-L608 HydrophobicContact CB-CB 4.5Å; A395-L608 HydrophobicContact CB-CD1 4.45Å; H398-L608 PolarHBondContact CD2-O 3.32Å; Q604-L608 WeakPolarHBondContact O-CB 3.44Å; Q604-L608 PolarHBondContact O-N 3.16Å; A605-L608 PolarHBondContact O-N 3.07Å; L606-L608 VanDerWaalsContact C-N 3.26Å; L606-L608 PolarHBondContact O-N 3.03Å
609	H	95.9	Very high	95.8	Very high	31 Å²	31	32.1 Å²	32.1	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-128.1	-11.9	-168.9	-64.2	-28.7	0	0	0	114.6	A605 L606 C644 K648 N651 L655	A605-H609 WeakPolarHBondContact O-CB 3.48Å; A605-H609 PolarHBondContact O-CD2 3.33Å; A605-H609 PolarHBondContact O-N 3.4Å; L606-H609 PolarHBondContact O-N 2.78Å; H609-C644 WeakPolarHBondContact O-CB 3.33Å; H609-K648 WeakPolarHBondContact O-CB 3.19Å; H609-N651 HydrophobicContact CB-CB 4.1Å; H609-N651 PolarHBondContact CD2-ND2 3.14Å; H609-N651 PolarHBondContact CE1-ND2 3.44Å; H609-N651 PolarHBondContact NE2-ND2 2.77Å; H609-L655 HydrophobicContact CB-CD1 4.2Å
610	T	96.8	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-144.5	166.7	-168.8	82.7	0	0	0	0	110.8	Q399 L606 G612 F613 F652 L655	Q399-T610 PolarHBondContact NE2-O 3.3Å; L606-T610 HydrophobicContact CD2-CG2 4.33Å; L606-T610 CarbonylContact O-C 3.46Å; L606-T610 WeakPolarHBondContact O-CA 3.1Å; L606-T610 WeakPolarHBondContact O-CB 3.42Å; L606-T610 PolarHBondContact O-N 3.23Å; L606-T610 PolarHBondContact O-OG1 2.66Å; T610-G612 PolarHBondContact O-N 3.2Å; T610-G612 PolarHBondContact OG1-N 3.03Å; T610-F613 HydrophobicContact CG2-CE1 3.87Å; T610-F613 HydrophobicContact CG2-CZ 4.5Å; T610-F652 HydrophobicContact CG2-CD2 3.73Å; T610-F652 HydrophobicContact CG2-CE2 4.43Å; T610-L655 HydrophobicContact CG2-CD1 3.99Å
611	G	94.1	Very high	95.6	Very high	20 Å²	20	31.2 Å²	31.2	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	-85.6	24.4	166.7	0	0	0	0	0	113.6	Y643	G611-Y643 PolarHBondContact N-O 3.24Å
612	G	95	Very high	95.2	Very high	26 Å²	26	30 Å²	30	27%	0.268	18%	0.175	S	C	.	.			trans	86	153.1	-176.2	0	0	0	0	0	113.7	T610 S642	T610-G612 PolarHBondContact O-N 3.2Å; T610-G612 PolarHBondContact OG1-N 3.03Å; G612-S642 VanDerWaalsContact O-CB 3.22Å; G612-S642 WeakPolarHBondContact O-CB 2.93Å; G612-S642 PolarHBondContact O-OG 3.44Å
613	F	97.6	Very high	94.7	Very high	15 Å²	15	32.5 Å²	32.5	7%	0.066	19%	0.188	C	C	.	.			trans	-99.7	130.9	175.9	-75.2	4.2	0	0	0	110.6	T590 L606 T610 S642 F652 L655 W656 L659	T590-F613 VanDerWaalsContact CB-O 3.28Å; T590-F613 WeakPolarHBondContact CB-O 3.38Å; T590-F613 HydrophobicContact CG2-CB 3.75Å; T590-F613 PolarHBondContact OG1-O 2.84Å; T590-F613 VanDerWaalsContact OG1-O 3.12Å; L606-F613 HydrophobicContact CD1-CD2 4.5Å; L606-F613 HydrophobicContact CD2-CB 4.35Å; L606-F613 HydrophobicContact CD2-CD1 3.57Å; L606-F613 HydrophobicContact CD2-CD2 3.49Å; L606-F613 VanDerWaalsContact CD2-CD2 3.49Å; L606-F613 HydrophobicContact CD2-CE1 3.62Å; L606-F613 HydrophobicContact CD2-CE2 3.52Å; L606-F613 HydrophobicContact CD2-CG 3.53Å; L606-F613 HydrophobicContact CD2-CZ 3.59Å; T610-F613 HydrophobicContact CG2-CE1 3.87Å; T610-F613 HydrophobicContact CG2-CZ 4.5Å; F613-S642 VanDerWaalsContact CD1-OG 3.3Å; F613-S642 WeakPolarHBondContact CD1-OG 3.39Å; F613-F652 HydrophobicContact CE1-CD2 4.18Å; F613-F652 AromaticContact CE1-CE2 3.92Å; F613-F652 HydrophobicContact CE1-CE2 3.92Å; F613-F652 HydrophobicContact CE1-CZ 4.43Å; F613-L655 HydrophobicContact CE2-CB 4Å; F613-L655 HydrophobicContact CZ-CB 3.77Å; F613-W656 HydrophobicContact CB-CH2 4.04Å; F613-W656 HydrophobicContact CB-CZ2 4.18Å; F613-W656 AromaticContact CD1-CE2 3.86Å; F613-W656 HydrophobicContact CD1-CH2 4.41Å; F613-W656 AromaticContact CD1-CZ2 3.75Å; F613-W656 HydrophobicContact CD1-CZ2 3.75Å; F613-W656 AromaticContact CD2-CD2 3.9Å; F613-W656 HydrophobicContact CD2-CD2 3.9Å; F613-W656 AromaticContact CD2-CE2 3.86Å; F613-W656 AromaticContact CD2-CE3 3.88Å; F613-W656 HydrophobicContact CD2-CE3 3.88Å; F613-W656 AromaticContact CD2-CH2 3.84Å; F613-W656 HydrophobicContact CD2-CH2 3.84Å; F613-W656 AromaticContact CD2-CZ2 3.85Å; F613-W656 HydrophobicContact CD2-CZ2 3.85Å; F613-W656 AromaticContact CD2-CZ3 3.85Å; F613-W656 HydrophobicContact CD2-CZ3 3.85Å; F613-W656 AromaticContact CE1-CD1 3.88Å; F613-W656 HydrophobicContact CE1-CD2 4.25Å; F613-W656 AromaticContact CE1-CE2 3.63Å; F613-W656 HydrophobicContact CE1-CG 4.41Å; F613-W656 HydrophobicContact CE1-CZ2 4.02Å; F613-W656 AromaticContact CE1-NE1 3.36Å; F613-W656 HydrophobicContact CE2-CB 4.41Å; F613-W656 AromaticContact CE2-CD2 3.45Å; F613-W656 HydrophobicContact CE2-CD2 3.45Å; F613-W656 VanDerWaalsContact CE2-CD2 3.45Å; F613-W656 AromaticContact CE2-CE2 3.64Å; F613-W656 AromaticContact CE2-CE3 3.76Å; F613-W656 HydrophobicContact CE2-CE3 3.76Å; F613-W656 AromaticContact CE2-CG 3.74Å; F613-W656 HydrophobicContact CE2-CG 3.74Å; F613-W656 HydrophobicContact CE2-CH2 4.4Å; F613-W656 HydrophobicContact CE2-CZ2 4.14Å; F613-W656 HydrophobicContact CE2-CZ3 4.22Å; F613-W656 AromaticContact CE2-NE1 3.95Å; F613-W656 HydrophobicContact CG-CD2 4.48Å; F613-W656 AromaticContact CG-CE2 3.97Å; F613-W656 AromaticContact CG-CH2 3.85Å; F613-W656 HydrophobicContact CG-CH2 3.85Å; F613-W656 AromaticContact CG-CZ2 3.65Å; F613-W656 HydrophobicContact CG-CZ2 3.65Å; F613-W656 HydrophobicContact CG-CZ3 4.34Å; F613-W656 HydrophobicContact CZ-CB 4.43Å; F613-W656 AromaticContact CZ-CD1 3.4Å; F613-W656 VanDerWaalsContact CZ-CD1 3.4Å; F613-W656 AromaticContact CZ-CD2 3.65Å; F613-W656 HydrophobicContact CZ-CD2 3.65Å; F613-W656 AromaticContact CZ-CE2 3.52Å; F613-W656 HydrophobicContact CZ-CE3 4.41Å; F613-W656 AromaticContact CZ-CG 3.61Å; F613-W656 HydrophobicContact CZ-CG 3.61Å; F613-W656 HydrophobicContact CZ-CZ2 4.21Å; F613-W656 AromaticContact CZ-NE1 3.33Å; F613-W656 VanDerWaalsContact CZ-NE1 3.33Å; F613-L659 HydrophobicContact CD2-CD2 4.11Å
614	V	97.7	Very high	94.1	Very high	75 Å²	75	36.3 Å²	36.3	46%	0.455	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.1	178.5	-178.5	0	0	0	0	109.5	L640 S641	V614-L640 CarbonylContact O-C 3.59Å; V614-L640 WeakPolarHBondContact O-CA 3.14Å; V614-S641 PolarHBondContact N-O 3.39Å; V614-S641 PolarHBondContact O-N 2.98Å
615	A	98.4	Very high	93.1	Very high	12 Å²	12	36.3 Å²	36.3	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.6	163.7	0	0	0	0	0	108.9	C586 F589 T590 I638 H639 L640	C586-A615 HydrophobicContact CB-CB 4.07Å; C586-A615 WeakPolarHBondContact CB-O 3.33Å; F589-A615 HydrophobicContact CD1-CB 4.46Å; T590-A615 HydrophobicContact CG2-CB 3.95Å; A615-I638 HydrophobicContact CB-CG2 4.47Å; A615-H639 CarbonylContact C-O 3.42Å; A615-H639 WeakPolarHBondContact CA-O 3.44Å; A615-L640 HydrophobicContact CB-CD2 3.48Å; A615-L640 VanDerWaalsContact CB-CD2 3.48Å
616	S	98.2	Very high	91.5	Very high	37 Å²	37	38.1 Å²	38.1	26%	0.259	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.1	179.2	59.8	0	0	0	0	111.9	C586 H639	C586-S616 VanDerWaalsContact SG-C 3.56Å; S616-H639 PolarHBondContact N-O 3.44Å; S616-H639 PolarHBondContact O-N 2.87Å; S616-H639 PolarHBondContact OG-O 3.38Å
617	P	98.2	Very high	89.7	Confident	35 Å²	35	44.4 Å²	44.4	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133	170	28.4	-33.2	0	0	0	109.7	V582 P583 W714	V582-P617 HydrophobicContact CG1-CB 4.12Å; P583-P617 HydrophobicContact CB-CG 4.2Å; P583-P617 HydrophobicContact CG-CB 4.45Å; P583-P617 HydrophobicContact CG-CG 4.27Å; P617-W714 HydrophobicContact CB-CB 4.24Å; P617-W714 HydrophobicContact CB-CD2 3.82Å; P617-W714 HydrophobicContact CB-CE3 3.58Å; P617-W714 HydrophobicContact CB-CG 4.14Å; P617-W714 HydrophobicContact CB-CZ3 4.09Å; P617-W714 HydrophobicContact CG-CB 4.41Å
618	F	97.6	Very high	88.1	Confident	39 Å²	39	44.9 Å²	44.9	17%	0.171	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	120.4	-176.8	-172.8	-95.6	0	0	0	111.7	L568 T620 Q637 H639 W714 L936	L568-F618 HydrophobicContact CD2-CD1 4.13Å; L568-F618 HydrophobicContact CD2-CG 4.45Å; F618-T620 HydrophobicContact CE1-CG2 3.97Å; F618-Q637 PolarHBondContact N-O 3.48Å; F618-Q637 PolarHBondContact O-N 3.37Å; F618-H639 HydrophobicContact CB-CB 3.94Å; F618-H639 HydrophobicContact CG-CB 4.42Å; F618-W714 WeakPolarHBondContact O-CZ3 3.4Å; F618-L936 HydrophobicContact CE1-CB 4.18Å; F618-L936 VanDerWaalsContact CE1-O 3.25Å; F618-L936 WeakPolarHBondContact CE1-O 3.34Å; F618-L936 HydrophobicContact CE2-CB 4.39Å; F618-L936 HydrophobicContact CZ-CB 3.72Å
619	V	95.6	Very high	86.2	Confident	27 Å²	27	48.1 Å²	48.1	16%	0.164	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.6	178.8	68.1	0	0	0	0	111.5	A634 S635 R636 T707 T710 R711 W714	V619-A634 HydrophobicContact CG2-CB 4.29Å; V619-S635 VanDerWaalsContact CA-O 3.32Å; V619-S635 WeakPolarHBondContact CA-O 3.5Å; V619-S635 WeakPolarHBondContact CG2-O 3.01Å; V619-R636 HydrophobicContact CG2-CG 3.89Å; V619-T707 HydrophobicContact CG1-CG2 4.48Å; V619-T707 HydrophobicContact CG2-CG2 4.09Å; V619-T710 HydrophobicContact CB-CG2 4.13Å; V619-T710 HydrophobicContact CG1-CG2 4.28Å; V619-T710 HydrophobicContact CG2-CG2 3.95Å; V619-R711 HydrophobicContact CG1-CB 4.28Å; V619-W714 HydrophobicContact CB-CE3 4.06Å; V619-W714 HydrophobicContact CB-CZ3 3.73Å; V619-W714 HydrophobicContact CG1-CE3 4.22Å; V619-W714 HydrophobicContact CG1-CZ3 4.4Å
620	T	94.1	Very high	84.6	Confident	12 Å²	12	49.8 Å²	49.8	7%	0.074	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.6	178.6	-174.2	0	0	0	0	110.5	F618 S635 N937	F618-T620 HydrophobicContact CE1-CG2 3.97Å; T620-S635 PolarHBondContact N-O 2.79Å; T620-S635 PolarHBondContact O-N 3.49Å; T620-N937 PolarHBondContact OG1-ND2 2.87Å
621	P	91.1	Very high	82.6	Confident	24 Å²	24	51 Å²	51	16%	0.156	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	145.6	166	-16.7	31.1	0	0	0	110	T707 P873 E874	P621-T707 HydrophobicContact CG-CG2 4.04Å; P621-P873 HydrophobicContact CG-CB 4.36Å; P621-E874 HydrophobicContact CG-CG 4.16Å
622	K	87.8	Confident	81.2	Confident	72 Å²	72	52.4 Å²	52.4	31%	0.313	31%	0.309	S	S	.	.			trans	-72.9	144.5	170.9	-71	-174.3	-172.8	168.8	0	110.9	P624 S625 S632 S633 A634	K622-P624 CarbonylContact O-C 3.5Å; K622-S625 WeakPolarHBondContact O-CA 3.46Å; K622-S632 WeakPolarHBondContact CD-O 3.36Å; K622-S632 WeakPolarHBondContact CE-O 3.42Å; K622-S632 PolarHBondContact NZ-O 2.68Å; K622-S633 WeakPolarHBondContact CB-O 3.29Å; K622-S633 WeakPolarHBondContact CG-O 3.45Å; K622-S633 PolarHBondContact N-O 3.17Å; K622-A634 WeakPolarHBondContact CE-O 3.21Å
623	I	85.4	Confident	80.2	Confident	55 Å²	55	51.4 Å²	51.4	28%	0.282	30%	0.297	S	S	.	.	S	Bend	trans	-122.9	131.4	175.4	-61.5	-178.5	0	0	0	108.5	I939 L943	I623-I939 HydrophobicContact CD1-CD1 4.26Å; I623-I939 HydrophobicContact CD1-CG1 3.43Å; I623-I939 VanDerWaalsContact CD1-CG1 3.43Å; I623-L943 HydrophobicContact CD1-CD2 4.09Å; I623-L943 HydrophobicContact CG2-CD2 3.75Å
624	P	80.6	Confident	79.8	Confident	108 Å²	108	50.9 Å²	50.9	70%	0.701	30%	0.296	S	S	*	.	S	Bend	cis	-65.5	150.5	-5	30.2	-35.1	0	0	0	111.6	K622 D835	K622-P624 CarbonylContact O-C 3.5Å; P624-D835 WeakPolarHBondContact CA-OD2 3.39Å
625	S	72.5	Confident	79.5	Confident	52 Å²	52	48.2 Å²	48.2	36%	0.364	28%	0.281	S	S	.	.			trans	-64.7	135.3	-176.3	53.7	0	0	0	0	112	K622 S833 D835	K622-S625 WeakPolarHBondContact O-CA 3.46Å; S625-S833 WeakPolarHBondContact CB-OG 2.8Å; S625-S833 PolarHBondContact OG-OG 2.98Å; S625-D835 WeakPolarHBondContact CB-OD1 3.48Å; S625-D835 PolarHBondContact N-OD2 3.03Å; S625-D835 PolarHBondContact OG-OD1 3.29Å; S625-D835 PolarHBondContact OG-OD2 3.18Å
626	C	61.4	Low	79.3	Confident	55 Å²	55	48 Å²	48	37%	0.372	28%	0.277	S	S	.	.			trans	-101.4	-175	167	58.3	0	0	0	0	110.4	K628 S633	C626-K628 PolarHBondContact O-N 3.27Å; C626-S633 WeakPolarHBondContact SG-CA 3.29Å; C626-S633 WeakPolarHBondContact SG-CB 3.27Å
627	L	58.3	Low	79.2	Confident	145 Å²	145	46.7 Å²	46.7	76%	0.759	27%	0.267	S	S	*	.			trans	-55	126.3	178.9	-69.3	167.3	0	0	0	110.9	T629 D630	L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.4Å; L627-T629 VanDerWaalsContact O-N 3.13Å; L627-D630 WeakPolarHBondContact O-CB 3.29Å; L627-D630 PolarHBondContact O-N 2.9Å; L627-D630 VanDerWaalsContact O-N 3.08Å
628	K	60.2	Low	79.3	Confident	56 Å²	56	45 Å²	45	24%	0.243	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.5	-168.1	-64.5	-179.7	-176.6	-178.5	0	116	C626 E830 A831	C626-K628 PolarHBondContact O-N 3.27Å; K628-E830 HydrophobicContact CD-CG 4.28Å; K628-E830 WeakPolarHBondContact CD-OE1 3.32Å; K628-E830 WeakPolarHBondContact CE-OE1 3.49Å; K628-E830 IonicContact NZ-OE1 2.84Å; K628-E830 PolarHBondContact NZ-OE1 3.2Å; K628-A831 PolarHBondContact NZ-O 3.47Å
629	T	54.7	Low	79.3	Confident	114 Å²	114	44.1 Å²	44.1	70%	0.699	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-4.3	-178.3	55.8	0	0	0	0	113.2	L627	L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.4Å; L627-T629 VanDerWaalsContact O-N 3.13Å
630	D	61	Low	79.4	Confident	66 Å²	66	42.9 Å²	42.9	35%	0.353	25%	0.245	S	C	.	.			trans	-73.3	128.5	176.6	-176.5	-5.2	0	0	0	109.7	L627 S632 S633	L627-D630 WeakPolarHBondContact O-CB 3.29Å; L627-D630 PolarHBondContact O-N 2.9Å; L627-D630 VanDerWaalsContact O-N 3.08Å; D630-S632 PolarHBondContact O-N 3.4Å; D630-S632 VanDerWaalsContact O-N 3.13Å; D630-S632 VanDerWaalsContact OD1-CB 3.27Å; D630-S632 WeakPolarHBondContact OD1-CB 3.48Å; D630-S632 PolarHBondContact OD1-N 3.24Å; D630-S632 PolarHBondContact OD1-OG 3.44Å; D630-S632 WeakPolarHBondContact OD2-CB 3.48Å; D630-S632 PolarHBondContact OD2-OG 2.85Å; D630-S633 WeakPolarHBondContact O-CB 3.34Å; D630-S633 PolarHBondContact O-N 3.12Å; D630-S633 PolarHBondContact O-OG 2.8Å
631	F	55.9	Low	79.6	Confident	27 Å²	27	43.4 Å²	43.4	12%	0.118	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-56	-28.5	173.1	-171.4	-99.3	0	0	0	111.8	L579 S633 R636 P804	L579-F631 HydrophobicContact CD1-CZ 4.05Å; F631-S633 PolarHBondContact O-N 2.66Å; F631-R636 PolarHBondContact O-NH2 3.48Å; F631-P804 HydrophobicContact CD1-CB 3.71Å; F631-P804 HydrophobicContact CD1-CG 4.05Å; F631-P804 HydrophobicContact CD2-CB 4.21Å; F631-P804 HydrophobicContact CE1-CB 3.54Å; F631-P804 HydrophobicContact CE1-CG 4.19Å; F631-P804 HydrophobicContact CE2-CB 4.08Å; F631-P804 HydrophobicContact CG-CB 4.04Å; F631-P804 HydrophobicContact CZ-CB 3.75Å
632	S	63.2	Low	79.9	Confident	49 Å²	49	42.6 Å²	42.6	34%	0.343	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-69	-10.8	175.4	98.9	0	0	0	0	113.6	K622 D630	K622-S632 WeakPolarHBondContact CD-O 3.36Å; K622-S632 WeakPolarHBondContact CE-O 3.42Å; K622-S632 PolarHBondContact NZ-O 2.68Å; D630-S632 PolarHBondContact O-N 3.4Å; D630-S632 VanDerWaalsContact O-N 3.13Å; D630-S632 VanDerWaalsContact OD1-CB 3.27Å; D630-S632 WeakPolarHBondContact OD1-CB 3.48Å; D630-S632 PolarHBondContact OD1-N 3.24Å; D630-S632 PolarHBondContact OD1-OG 3.44Å; D630-S632 WeakPolarHBondContact OD2-CB 3.48Å; D630-S632 PolarHBondContact OD2-OG 2.85Å
633	S	75.5	Confident	80.3	Confident	4 Å²	4	41.7 Å²	41.7	3%	0.028	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-75.2	-22.8	-179.6	67.4	0	0	0	0	114.9	K622 C626 D630 F631	K622-S633 WeakPolarHBondContact CB-O 3.29Å; K622-S633 WeakPolarHBondContact CG-O 3.45Å; K622-S633 PolarHBondContact N-O 3.17Å; C626-S633 WeakPolarHBondContact SG-CA 3.29Å; C626-S633 WeakPolarHBondContact SG-CB 3.27Å; D630-S633 WeakPolarHBondContact O-CB 3.34Å; D630-S633 PolarHBondContact O-N 3.12Å; D630-S633 PolarHBondContact O-OG 2.8Å; F631-S633 PolarHBondContact O-N 2.66Å
634	A	88.6	Confident	80.9	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.2	176.7	0	0	0	0	0	111.1	V619 K622	V619-A634 HydrophobicContact CG2-CB 4.29Å; K622-A634 WeakPolarHBondContact CE-O 3.21Å
635	S	92	Very high	81.6	Confident	20 Å²	20	34.3 Å²	34.3	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.2	164.6	-174.1	0	0	0	0	108.3	V619 T620	V619-S635 VanDerWaalsContact CA-O 3.32Å; V619-S635 WeakPolarHBondContact CA-O 3.5Å; V619-S635 WeakPolarHBondContact CG2-O 3.01Å; T620-S635 PolarHBondContact N-O 2.79Å; T620-S635 PolarHBondContact O-N 3.49Å
636	R	94.2	Very high	82.8	Confident	6 Å²	6	34.2 Å²	34.2	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.6	179.7	-76.6	177.3	-82	-85.2	-14.9	108.9	L571 V619 F631 S706 T710 W714	L571-R636 HydrophobicContact CB-CB 4.14Å; L571-R636 WeakPolarHBondContact CB-O 3.38Å; L571-R636 PolarHBondContact N-O 3.49Å; V619-R636 HydrophobicContact CG2-CG 3.89Å; F631-R636 PolarHBondContact O-NH2 3.48Å; R636-S706 PolarHBondContact NH1-OG 3.25Å; R636-T710 HydrophobicContact CG-CG2 3.94Å; R636-T710 PolarHBondContact NH1-OG1 3.37Å; R636-W714 HydrophobicContact CB-CH2 3.82Å; R636-W714 HydrophobicContact CB-CZ2 4.49Å; R636-W714 HydrophobicContact CG-CH2 3.96Å; R636-W714 HydrophobicContact CG-CZ2 4.46Å
637	Q	96.5	Very high	84.4	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.8	-171.8	-53.4	-173.5	-64.6	0	0	111.5	L568 A569 F618	L568-Q637 HydrophobicContact CD2-CB 3.98Å; A569-Q637 CarbonylContact O-C 3.59Å; A569-Q637 WeakPolarHBondContact O-CA 3.47Å; A569-Q637 WeakPolarHBondContact O-CB 3.42Å; F618-Q637 PolarHBondContact N-O 3.48Å; F618-Q637 PolarHBondContact O-N 3.37Å
638	I	98.3	Very high	86.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.5	160.9	-60	-175.1	0	0	0	107.5	L568 A569 L571 V582 F585 A615 L640 I751 I755	L568-I638 WeakPolarHBondContact CA-O 3.32Å; A569-I638 HydrophobicContact CB-CB 4.3Å; A569-I638 PolarHBondContact N-O 3.35Å; A569-I638 PolarHBondContact O-N 3.02Å; L571-I638 HydrophobicContact CD1-CG1 3.98Å; L571-I638 HydrophobicContact CD2-CD1 4.45Å; L571-I638 HydrophobicContact CD2-CG1 4.28Å; L571-I638 HydrophobicContact CG-CG1 4.41Å; V582-I638 HydrophobicContact CG1-CD1 4.01Å; V582-I638 HydrophobicContact CG1-CG1 3.85Å; F585-I638 HydrophobicContact CD1-CD1 3.57Å; F585-I638 HydrophobicContact CE1-CD1 3.63Å; A615-I638 HydrophobicContact CB-CG2 4.47Å; I638-L640 HydrophobicContact CG2-CD2 3.82Å; I638-L640 HydrophobicContact CG2-CG 4.28Å; I638-I751 HydrophobicContact CD1-CG2 4.15Å; I638-I755 HydrophobicContact CD1-CG2 4.06Å
639	H	98.3	Very high	88.1	Confident	20 Å²	20	29.3 Å²	29.3	9%	0.093	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.1	173.1	-179.4	-144.6	0	0	0	109.8	H566 A567 L568 A615 S616 F618	H566-H639 AromaticContact CG-NE2 3.64Å; H566-H639 AromaticContact ND1-CE1 3.45Å; H566-H639 PolarHBondContact ND1-CE1 3.16Å; H566-H639 AromaticContact ND1-NE2 3.01Å; H566-H639 PolarHBondContact ND1-NE2 3.28Å; A567-H639 WeakPolarHBondContact O-CA 3.45Å; A567-H639 PolarHBondContact O-CD2 2.78Å; L568-H639 HydrophobicContact CD2-CB 3.72Å; A615-H639 CarbonylContact C-O 3.42Å; A615-H639 WeakPolarHBondContact CA-O 3.44Å; S616-H639 PolarHBondContact N-O 3.44Å; S616-H639 PolarHBondContact O-N 2.87Å; S616-H639 PolarHBondContact OG-O 3.38Å; F618-H639 HydrophobicContact CB-CB 3.94Å; F618-H639 HydrophobicContact CG-CB 4.42Å
640	L	98.3	Very high	90.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.7	173	-54.5	173.9	0	0	0	108.1	H566 A567 F589 V614 A615 I638 W656 F660	H566-L640 CarbonylContact C-O 3.54Å; H566-L640 VanDerWaalsContact CA-O 3.27Å; H566-L640 WeakPolarHBondContact CA-O 3.36Å; A567-L640 HydrophobicContact CB-CB 4.22Å; A567-L640 HydrophobicContact CB-CD1 4.43Å; A567-L640 PolarHBondContact N-O 2.96Å; A567-L640 PolarHBondContact O-N 2.99Å; F589-L640 HydrophobicContact CD1-CD2 4.35Å; F589-L640 HydrophobicContact CE1-CD2 4.37Å; V614-L640 CarbonylContact O-C 3.59Å; V614-L640 WeakPolarHBondContact O-CA 3.14Å; A615-L640 HydrophobicContact CB-CD2 3.48Å; A615-L640 VanDerWaalsContact CB-CD2 3.48Å; I638-L640 HydrophobicContact CG2-CD2 3.82Å; I638-L640 HydrophobicContact CG2-CG 4.28Å; L640-W656 HydrophobicContact CB-CH2 4Å; L640-W656 HydrophobicContact CB-CZ3 4.46Å; L640-W656 HydrophobicContact CD1-CZ3 4.36Å; L640-F660 HydrophobicContact CD1-CE2 3.8Å; L640-F660 HydrophobicContact CD1-CZ 3.39Å
641	S	97.8	Very high	91.9	Very high	23 Å²	23	26.7 Å²	26.7	16%	0.161	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.6	-179.5	65.8	0	0	0	0	112.3	F565 H566 V614	F565-S641 WeakPolarHBondContact O-CA 3.36Å; H566-S641 WeakPolarHBondContact ND1-CB 3.42Å; V614-S641 PolarHBondContact N-O 3.39Å; V614-S641 PolarHBondContact O-N 2.98Å
642	S	97.4	Very high	93.9	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	172.9	172	-173	0	0	0	0	109.9	F565 G612 F613 F652	F565-S642 PolarHBondContact N-O 2.82Å; F565-S642 PolarHBondContact O-N 2.71Å; F565-S642 VanDerWaalsContact O-N 3.1Å; G612-S642 VanDerWaalsContact O-CB 3.22Å; G612-S642 WeakPolarHBondContact O-CB 2.93Å; G612-S642 PolarHBondContact O-OG 3.44Å; F613-S642 VanDerWaalsContact CD1-OG 3.3Å; F613-S642 WeakPolarHBondContact CD1-OG 3.39Å; S642-F652 WeakPolarHBondContact OG-CE2 3.45Å
643	Y	97	Very high	95.5	Very high	54 Å²	54	23.3 Å²	23.3	21%	0.212	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.6	175.9	65.8	-76.4	0	0	0	110.8	L402 L562 F563 Y564 G611	L402-Y643 HydrophobicContact CB-CE2 4.39Å; L402-Y643 HydrophobicContact CD1-CE2 4.49Å; L402-Y643 HydrophobicContact CD2-CE2 4.41Å; L562-Y643 HydrophobicContact CD2-CD2 4.27Å; F563-Y643 CarbonylContact O-C 3.6Å; F563-Y643 WeakPolarHBondContact O-CA 3.24Å; F563-Y643 WeakPolarHBondContact O-CB 3.41Å; Y564-Y643 HydrophobicContact CD1-CG 4.19Å; Y564-Y643 HydrophobicContact CE1-CD2 4.37Å; Y564-Y643 HydrophobicContact CE1-CG 4.02Å; G611-Y643 PolarHBondContact N-O 3.24Å
644	C	97.3	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	171.1	176.6	63.8	0	0	0	0	111.5	L562 F563 H609 K648 F652	L562-C644 CarbonylContact C-O 3.59Å; L562-C644 WeakPolarHBondContact CA-O 3.15Å; F563-C644 PolarHBondContact N-O 3Å; F563-C644 PolarHBondContact O-N 2.88Å; H609-C644 WeakPolarHBondContact O-CB 3.33Å; C644-K648 HydrophobicContact CB-CB 4.28Å; C644-F652 HydrophobicContact CB-CB 4.31Å; C644-F652 HydrophobicContact CB-CD2 3.64Å; C644-F652 HydrophobicContact CB-CE2 4.3Å; C644-F652 HydrophobicContact CB-CG 4.23Å; C644-F652 VanDerWaalsContact SG-CD2 3.56Å; C644-F652 VanDerWaalsContact SG-CG 3.6Å
645	L	96	Very high	97	Very high	8 Å²	8	27 Å²	27	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	145	164.8	-62.8	176.6	0	0	0	110.1	L402 R405 L562 S647 K648	L402-L645 HydrophobicContact CD2-CD2 3.99Å; L402-L645 HydrophobicContact CD2-CG 3.9Å; R405-L645 VanDerWaalsContact CD-CD2 3.4Å; L562-L645 HydrophobicContact CD2-CD2 3.91Å; L645-S647 PolarHBondContact O-N 2.87Å; L645-S647 VanDerWaalsContact O-N 3.12Å; L645-K648 HydrophobicContact CB-CG 4.14Å; L645-K648 WeakPolarHBondContact O-CA 3.47Å; L645-K648 WeakPolarHBondContact O-CB 3.32Å; L645-K648 PolarHBondContact O-N 3.45Å
646	E	96	Very high	97.2	Very high	49 Å²	49	26 Å²	26	23%	0.229	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-52.9	-37.8	177.6	-74.6	-178.8	177.5	0	0	113.5	G561 K648 I649	G561-E646 PolarHBondContact O-N 3.07Å; E646-K648 PolarHBondContact O-N 3.45Å; E646-I649 HydrophobicContact CB-CD1 4.35Å; E646-I649 HydrophobicContact CG-CD1 4.48Å; E646-I649 WeakPolarHBondContact O-CB 3.4Å; E646-I649 WeakPolarHBondContact O-CD1 3.38Å; E646-I649 VanDerWaalsContact O-CG1 3.26Å; E646-I649 WeakPolarHBondContact O-CG1 3.35Å; E646-I649 PolarHBondContact O-N 3.24Å
647	S	95.7	Very high	97.2	Very high	95 Å²	95	26.1 Å²	26.1	66%	0.664	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-65.2	-16.7	177	58	0	0	0	0	114.1	L645	L645-S647 PolarHBondContact O-N 2.87Å; L645-S647 VanDerWaalsContact O-N 3.12Å
648	K	97.1	Very high	97.1	Very high	59 Å²	59	27.3 Å²	27.3	26%	0.257	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-101.6	-2.9	-177.7	-61.1	-65.6	-168.9	176.1	0	113.2	H609 C644 L645 E646 P650 N651 F652	H609-K648 WeakPolarHBondContact O-CB 3.19Å; C644-K648 HydrophobicContact CB-CB 4.28Å; L645-K648 HydrophobicContact CB-CG 4.14Å; L645-K648 WeakPolarHBondContact O-CA 3.47Å; L645-K648 WeakPolarHBondContact O-CB 3.32Å; L645-K648 PolarHBondContact O-N 3.45Å; E646-K648 PolarHBondContact O-N 3.45Å; K648-P650 VanDerWaalsContact C-N 3.28Å; K648-P650 VanDerWaalsContact O-N 3.13Å; K648-N651 PolarHBondContact O-N 3.37Å; K648-F652 WeakPolarHBondContact O-CB 3.2Å; K648-F652 PolarHBondContact O-N 3.26Å
649	I	98.5	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-46.5	-42.2	178.2	-69.8	170.9	0	0	0	113.5	F563 E646 F652 F653 G771 H778	F563-I649 HydrophobicContact CB-CD1 3.94Å; F563-I649 HydrophobicContact CB-CG1 4.03Å; F563-I649 HydrophobicContact CD1-CD1 4.39Å; F563-I649 HydrophobicContact CD1-CG1 4.06Å; F563-I649 HydrophobicContact CD2-CD1 4.09Å; F563-I649 HydrophobicContact CG-CD1 3.89Å; F563-I649 HydrophobicContact CG-CG1 4Å; E646-I649 HydrophobicContact CB-CD1 4.35Å; E646-I649 HydrophobicContact CG-CD1 4.48Å; E646-I649 WeakPolarHBondContact O-CB 3.4Å; E646-I649 WeakPolarHBondContact O-CD1 3.38Å; E646-I649 VanDerWaalsContact O-CG1 3.26Å; E646-I649 WeakPolarHBondContact O-CG1 3.35Å; E646-I649 PolarHBondContact O-N 3.24Å; I649-F652 WeakPolarHBondContact O-CB 3.44Å; I649-F652 PolarHBondContact O-N 2.86Å; I649-F653 HydrophobicContact CG2-CD2 3.82Å; I649-F653 HydrophobicContact CG2-CE2 3.97Å; I649-F653 WeakPolarHBondContact O-CD2 3.38Å; I649-F653 PolarHBondContact O-N 3.36Å; I649-F653 VanDerWaalsContact O-N 3.08Å; I649-G771 WeakPolarHBondContact CD1-O 3.31Å; I649-H778 HydrophobicContact CG2-CB 4.2Å
650	P	98	Very high	96.7	Very high	56 Å²	56	26.9 Å²	26.9	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-49.4	178	-22.9	33.3	0	0	0	113	K648 F652 F653 E654	K648-P650 VanDerWaalsContact C-N 3.28Å; K648-P650 VanDerWaalsContact O-N 3.13Å; P650-F652 VanDerWaalsContact C-N 3.32Å; P650-F652 PolarHBondContact O-N 3.47Å; P650-F653 PolarHBondContact O-N 3.42Å; P650-E654 PolarHBondContact O-N 3.39Å
651	N	97.7	Very high	96.4	Very high	68 Å²	68	30.5 Å²	30.5	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-67.2	-36.8	178.8	-65.5	15.4	0	0	0	111	H609 K648 F653 E654 L655	H609-N651 HydrophobicContact CB-CB 4.1Å; H609-N651 PolarHBondContact CD2-ND2 3.14Å; H609-N651 PolarHBondContact CE1-ND2 3.44Å; H609-N651 PolarHBondContact NE2-ND2 2.77Å; K648-N651 PolarHBondContact O-N 3.37Å; N651-F653 PolarHBondContact O-N 3.14Å; N651-E654 PolarHBondContact O-N 2.77Å; N651-L655 WeakPolarHBondContact O-CG 3.39Å; N651-L655 PolarHBondContact O-N 2.67Å
652	F	98.1	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-49.8	176.8	176.6	-90	0	0	0	112.3	F563 F565 T610 F613 S642 C644 K648 I649 P650 L655 W656	F563-F652 HydrophobicContact CE1-CD1 4.42Å; F563-F652 HydrophobicContact CE1-CE1 4.16Å; F565-F652 HydrophobicContact CB-CE1 3.68Å; F565-F652 HydrophobicContact CB-CZ 3.57Å; F565-F652 HydrophobicContact CD1-CE1 4.47Å; F565-F652 HydrophobicContact CD1-CZ 4.33Å; F565-F652 HydrophobicContact CD2-CE1 4.34Å; F565-F652 AromaticContact CG-CE1 3.94Å; F565-F652 HydrophobicContact CG-CE1 3.94Å; F565-F652 HydrophobicContact CG-CZ 4.06Å; T610-F652 HydrophobicContact CG2-CD2 3.73Å; T610-F652 HydrophobicContact CG2-CE2 4.43Å; F613-F652 HydrophobicContact CE1-CD2 4.18Å; F613-F652 AromaticContact CE1-CE2 3.92Å; F613-F652 HydrophobicContact CE1-CE2 3.92Å; F613-F652 HydrophobicContact CE1-CZ 4.43Å; S642-F652 WeakPolarHBondContact OG-CE2 3.45Å; C644-F652 HydrophobicContact CB-CB 4.31Å; C644-F652 HydrophobicContact CB-CD2 3.64Å; C644-F652 HydrophobicContact CB-CE2 4.3Å; C644-F652 HydrophobicContact CB-CG 4.23Å; C644-F652 VanDerWaalsContact SG-CD2 3.56Å; C644-F652 VanDerWaalsContact SG-CG 3.6Å; K648-F652 WeakPolarHBondContact O-CB 3.2Å; K648-F652 PolarHBondContact O-N 3.26Å; I649-F652 WeakPolarHBondContact O-CB 3.44Å; I649-F652 PolarHBondContact O-N 2.86Å; P650-F652 VanDerWaalsContact C-N 3.32Å; P650-F652 PolarHBondContact O-N 3.47Å; F652-L655 PolarHBondContact O-N 3.32Å; F652-W656 AromaticContact CD1-CD1 3.93Å; F652-W656 AromaticContact CE1-CD1 3.49Å; F652-W656 VanDerWaalsContact CE1-CD1 3.49Å; F652-W656 AromaticContact CE1-NE1 3.44Å; F652-W656 AromaticContact CE2-NE1 3.92Å; F652-W656 AromaticContact CZ-CD1 3.78Å; F652-W656 AromaticContact CZ-NE1 3.24Å; F652-W656 PolarHBondContact O-N 2.81Å
653	F	97.9	Very high	96	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	17%	0.166	C	C	.	.	H	α-helix	trans	-73.6	-32.2	177.8	-83	-77.8	0	0	0	112.8	F563 F565 I649 P650 N651 L655 W656 S657 H778 L779 F782	F563-F653 AromaticContact CE1-CE2 3.72Å; F563-F653 HydrophobicContact CE1-CE2 3.72Å; F563-F653 HydrophobicContact CE1-CZ 4.01Å; F563-F653 AromaticContact CZ-CE2 3.94Å; F563-F653 HydrophobicContact CZ-CE2 3.94Å; F563-F653 HydrophobicContact CZ-CZ 4.05Å; F565-F653 HydrophobicContact CD2-CE1 4Å; F565-F653 HydrophobicContact CD2-CZ 4.01Å; F565-F653 AromaticContact CE2-CE1 3.9Å; F565-F653 HydrophobicContact CE2-CE1 3.9Å; F565-F653 HydrophobicContact CE2-CZ 4.35Å; I649-F653 HydrophobicContact CG2-CD2 3.82Å; I649-F653 HydrophobicContact CG2-CE2 3.97Å; I649-F653 WeakPolarHBondContact O-CD2 3.38Å; I649-F653 PolarHBondContact O-N 3.36Å; I649-F653 VanDerWaalsContact O-N 3.08Å; P650-F653 PolarHBondContact O-N 3.42Å; N651-F653 PolarHBondContact O-N 3.14Å; F653-L655 VanDerWaalsContact C-N 3.3Å; F653-L655 PolarHBondContact O-N 3.07Å; F653-W656 PolarHBondContact O-N 3.44Å; F653-S657 WeakPolarHBondContact O-CB 3.47Å; F653-S657 PolarHBondContact O-N 3.46Å; F653-S657 PolarHBondContact O-OG 2.71Å; F653-H778 HydrophobicContact CB-CB 3.88Å; F653-H778 HydrophobicContact CD2-CB 3.33Å; F653-H778 HydrophobicContact CE2-CB 3.96Å; F653-H778 HydrophobicContact CG-CB 3.67Å; F653-L779 HydrophobicContact CE1-CB 3.89Å; F653-L779 HydrophobicContact CE1-CD1 3.95Å; F653-L779 HydrophobicContact CZ-CB 3.97Å; F653-F782 HydrophobicContact CD1-CB 4.01Å; F653-F782 HydrophobicContact CD1-CG 4.43Å
654	E	96.9	Very high	96	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.36	17%	0.171	S	C	.	.	H	α-helix	trans	-58.7	-42.8	172.2	177.7	59.2	-162.2	0	0	111.2	P650 N651 S657 K658	P650-E654 PolarHBondContact O-N 3.39Å; N651-E654 PolarHBondContact O-N 2.77Å; E654-S657 WeakPolarHBondContact O-CB 3.5Å; E654-S657 PolarHBondContact O-N 2.88Å; E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.35Å; E654-K658 VanDerWaalsContact OE1-CE 3.27Å; E654-K658 WeakPolarHBondContact OE1-CE 3.37Å; E654-K658 IonicContact OE1-NZ 2.74Å; E654-K658 PolarHBondContact OE1-NZ 3.16Å
655	L	97.5	Very high	95.9	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-40.7	177.5	-68.8	169.4	0	0	0	112.5	M602 A605 L606 H609 T610 F613 N651 F652 F653 K658 L659	M602-L655 HydrophobicContact CE-CD2 4.35Å; M602-L655 HydrophobicContact SD-CD2 4.36Å; A605-L655 HydrophobicContact CB-CD1 4.34Å; A605-L655 HydrophobicContact CB-CD2 3.73Å; L606-L655 HydrophobicContact CD2-CB 4.32Å; L606-L655 HydrophobicContact CD2-CD1 4.04Å; H609-L655 HydrophobicContact CB-CD1 4.2Å; T610-L655 HydrophobicContact CG2-CD1 3.99Å; F613-L655 HydrophobicContact CE2-CB 4Å; F613-L655 HydrophobicContact CZ-CB 3.77Å; N651-L655 WeakPolarHBondContact O-CG 3.39Å; N651-L655 PolarHBondContact O-N 2.67Å; F652-L655 PolarHBondContact O-N 3.32Å; F653-L655 VanDerWaalsContact C-N 3.3Å; F653-L655 PolarHBondContact O-N 3.07Å; L655-K658 PolarHBondContact O-N 3.14Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 PolarHBondContact O-N 3.33Å; L655-L659 VanDerWaalsContact O-N 3.07Å
656	W	96.3	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-44.4	170.8	-81.7	116.4	0	0	0	111.8	F565 F613 L640 F652 F653 K658 L659 F660 F782	F565-W656 AromaticContact CD1-CE2 3.98Å; F565-W656 HydrophobicContact CD1-CZ2 4.11Å; F565-W656 AromaticContact CD1-NE1 3.78Å; F565-W656 HydrophobicContact CE1-CD2 4.32Å; F565-W656 AromaticContact CE1-CE2 3.79Å; F565-W656 AromaticContact CE1-CZ2 3.98Å; F565-W656 HydrophobicContact CE1-CZ2 3.98Å; F565-W656 AromaticContact CE1-NE1 3.9Å; F613-W656 HydrophobicContact CB-CH2 4.04Å; F613-W656 HydrophobicContact CB-CZ2 4.18Å; F613-W656 AromaticContact CD1-CE2 3.86Å; F613-W656 HydrophobicContact CD1-CH2 4.41Å; F613-W656 AromaticContact CD1-CZ2 3.75Å; F613-W656 HydrophobicContact CD1-CZ2 3.75Å; F613-W656 AromaticContact CD2-CD2 3.9Å; F613-W656 HydrophobicContact CD2-CD2 3.9Å; F613-W656 AromaticContact CD2-CE2 3.86Å; F613-W656 AromaticContact CD2-CE3 3.88Å; F613-W656 HydrophobicContact CD2-CE3 3.88Å; F613-W656 AromaticContact CD2-CH2 3.84Å; F613-W656 HydrophobicContact CD2-CH2 3.84Å; F613-W656 AromaticContact CD2-CZ2 3.85Å; F613-W656 HydrophobicContact CD2-CZ2 3.85Å; F613-W656 AromaticContact CD2-CZ3 3.85Å; F613-W656 HydrophobicContact CD2-CZ3 3.85Å; F613-W656 AromaticContact CE1-CD1 3.88Å; F613-W656 HydrophobicContact CE1-CD2 4.25Å; F613-W656 AromaticContact CE1-CE2 3.63Å; F613-W656 HydrophobicContact CE1-CG 4.41Å; F613-W656 HydrophobicContact CE1-CZ2 4.02Å; F613-W656 AromaticContact CE1-NE1 3.36Å; F613-W656 HydrophobicContact CE2-CB 4.41Å; F613-W656 AromaticContact CE2-CD2 3.45Å; F613-W656 HydrophobicContact CE2-CD2 3.45Å; F613-W656 VanDerWaalsContact CE2-CD2 3.45Å; F613-W656 AromaticContact CE2-CE2 3.64Å; F613-W656 AromaticContact CE2-CE3 3.76Å; F613-W656 HydrophobicContact CE2-CE3 3.76Å; F613-W656 AromaticContact CE2-CG 3.74Å; F613-W656 HydrophobicContact CE2-CG 3.74Å; F613-W656 HydrophobicContact CE2-CH2 4.4Å; F613-W656 HydrophobicContact CE2-CZ2 4.14Å; F613-W656 HydrophobicContact CE2-CZ3 4.22Å; F613-W656 AromaticContact CE2-NE1 3.95Å; F613-W656 HydrophobicContact CG-CD2 4.48Å; F613-W656 AromaticContact CG-CE2 3.97Å; F613-W656 AromaticContact CG-CH2 3.85Å; F613-W656 HydrophobicContact CG-CH2 3.85Å; F613-W656 AromaticContact CG-CZ2 3.65Å; F613-W656 HydrophobicContact CG-CZ2 3.65Å; F613-W656 HydrophobicContact CG-CZ3 4.34Å; F613-W656 HydrophobicContact CZ-CB 4.43Å; F613-W656 AromaticContact CZ-CD1 3.4Å; F613-W656 VanDerWaalsContact CZ-CD1 3.4Å; F613-W656 AromaticContact CZ-CD2 3.65Å; F613-W656 HydrophobicContact CZ-CD2 3.65Å; F613-W656 AromaticContact CZ-CE2 3.52Å; F613-W656 HydrophobicContact CZ-CE3 4.41Å; F613-W656 AromaticContact CZ-CG 3.61Å; F613-W656 HydrophobicContact CZ-CG 3.61Å; F613-W656 HydrophobicContact CZ-CZ2 4.21Å; F613-W656 AromaticContact CZ-NE1 3.33Å; F613-W656 VanDerWaalsContact CZ-NE1 3.33Å; L640-W656 HydrophobicContact CB-CH2 4Å; L640-W656 HydrophobicContact CB-CZ3 4.46Å; L640-W656 HydrophobicContact CD1-CZ3 4.36Å; F652-W656 AromaticContact CD1-CD1 3.93Å; F652-W656 AromaticContact CE1-CD1 3.49Å; F652-W656 VanDerWaalsContact CE1-CD1 3.49Å; F652-W656 AromaticContact CE1-NE1 3.44Å; F652-W656 AromaticContact CE2-NE1 3.92Å; F652-W656 AromaticContact CZ-CD1 3.78Å; F652-W656 AromaticContact CZ-NE1 3.24Å; F652-W656 PolarHBondContact O-N 2.81Å; F653-W656 PolarHBondContact O-N 3.44Å; W656-K658 PolarHBondContact O-N 2.92Å; W656-L659 HydrophobicContact CE3-CD2 4.37Å; W656-L659 HydrophobicContact CZ3-CD2 4.16Å; W656-L659 PolarHBondContact O-N 3.37Å; W656-F660 HydrophobicContact CE3-CD2 4.02Å; W656-F660 AromaticContact CE3-CE2 3.67Å; W656-F660 HydrophobicContact CE3-CE2 3.67Å; W656-F660 AromaticContact CZ3-CE2 3.95Å; W656-F660 HydrophobicContact CZ3-CE2 3.95Å; W656-F660 WeakPolarHBondContact O-CB 3.17Å; W656-F660 WeakPolarHBondContact O-CD2 3.4Å; W656-F660 PolarHBondContact O-N 3.4Å; W656-F782 HydrophobicContact CB-CD2 4.15Å; W656-F782 HydrophobicContact CB-CE2 3.99Å
657	S	95	Very high	95.5	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-47.5	176.9	-70.7	0	0	0	0	111.5	F653 E654 L659 F660 R661 F782	F653-S657 WeakPolarHBondContact O-CB 3.47Å; F653-S657 PolarHBondContact O-N 3.46Å; F653-S657 PolarHBondContact O-OG 2.71Å; E654-S657 WeakPolarHBondContact O-CB 3.5Å; E654-S657 PolarHBondContact O-N 2.88Å; S657-L659 PolarHBondContact O-N 3.23Å; S657-F660 PolarHBondContact O-N 2.67Å; S657-R661 WeakPolarHBondContact O-CB 3.44Å; S657-R661 PolarHBondContact O-N 2.9Å; S657-F782 WeakPolarHBondContact OG-CD2 3.41Å
658	K	95.2	Very high	95.4	Very high	36 Å²	36	34.3 Å²	34.3	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-52.2	176.8	-71.1	-168.8	-179.2	-42.6	0	111.5	A594 D595 M597 E654 L655 W656 F660 R661 S662	A594-K658 HydrophobicContact CB-CB 4.34Å; D595-K658 HydrophobicContact CB-CB 3.75Å; D595-K658 HydrophobicContact CB-CD 4.06Å; D595-K658 HydrophobicContact CB-CG 3.73Å; D595-K658 IonicContact OD2-NZ 3.93Å; D595-K658 PolarHBondContact OD2-NZ 3.36Å; M597-K658 HydrophobicContact SD-CD 3.66Å; E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.35Å; E654-K658 VanDerWaalsContact OE1-CE 3.27Å; E654-K658 WeakPolarHBondContact OE1-CE 3.37Å; E654-K658 IonicContact OE1-NZ 2.74Å; E654-K658 PolarHBondContact OE1-NZ 3.16Å; L655-K658 PolarHBondContact O-N 3.14Å; W656-K658 PolarHBondContact O-N 2.92Å; K658-F660 VanDerWaalsContact C-N 3.33Å; K658-F660 PolarHBondContact O-N 3.16Å; K658-R661 PolarHBondContact O-N 3.34Å; K658-S662 PolarHBondContact O-N 3.07Å; K658-S662 VanDerWaalsContact O-N 3.13Å
659	L	94.9	Very high	95.2	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-38.4	-176.8	-175.9	64.2	0	0	0	112.8	F589 T590 A594 M602 F613 L655 W656 S657 P663	F589-L659 HydrophobicContact CD1-CD2 4.21Å; F589-L659 HydrophobicContact CD2-CD1 4.48Å; F589-L659 HydrophobicContact CE1-CD2 3.88Å; F589-L659 HydrophobicContact CE1-CG 4.21Å; F589-L659 HydrophobicContact CE2-CD1 4.24Å; F589-L659 HydrophobicContact CE2-CD2 4.42Å; F589-L659 HydrophobicContact CE2-CG 3.96Å; F589-L659 HydrophobicContact CZ-CD2 4Å; F589-L659 HydrophobicContact CZ-CG 3.8Å; F589-L659 VanDerWaalsContact O-CD1 3.27Å; F589-L659 WeakPolarHBondContact O-CD1 3.46Å; T590-L659 HydrophobicContact CG2-CD2 4.46Å; A594-L659 HydrophobicContact CB-CD1 4.29Å; M602-L659 HydrophobicContact CE-CB 4.44Å; F613-L659 HydrophobicContact CD2-CD2 4.11Å; L655-L659 WeakPolarHBondContact O-CB 3.37Å; L655-L659 PolarHBondContact O-N 3.33Å; L655-L659 VanDerWaalsContact O-N 3.07Å; W656-L659 HydrophobicContact CE3-CD2 4.37Å; W656-L659 HydrophobicContact CZ3-CD2 4.16Å; W656-L659 PolarHBondContact O-N 3.37Å; S657-L659 PolarHBondContact O-N 3.23Å; L659-P663 HydrophobicContact CD1-CB 4.27Å; L659-P663 WeakPolarHBondContact O-CB 3.21Å; L659-P663 WeakPolarHBondContact O-CD 3.45Å; L659-P663 WeakPolarHBondContact O-CG 3.45Å
660	F	93.2	Very high	95	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-75	-35.7	177.5	-92.4	-105.7	0	0	0	113.3	F589 L640 W656 S657 K658 W752 T756 L761 F782 L786	F589-F660 HydrophobicContact CE1-CE2 4.07Å; F589-F660 HydrophobicContact CE1-CZ 4.48Å; F589-F660 HydrophobicContact CZ-CD2 4.15Å; F589-F660 HydrophobicContact CZ-CE2 4.1Å; L640-F660 HydrophobicContact CD1-CE2 3.8Å; L640-F660 HydrophobicContact CD1-CZ 3.39Å; W656-F660 HydrophobicContact CE3-CD2 4.02Å; W656-F660 AromaticContact CE3-CE2 3.67Å; W656-F660 HydrophobicContact CE3-CE2 3.67Å; W656-F660 AromaticContact CZ3-CE2 3.95Å; W656-F660 HydrophobicContact CZ3-CE2 3.95Å; W656-F660 WeakPolarHBondContact O-CB 3.17Å; W656-F660 WeakPolarHBondContact O-CD2 3.4Å; W656-F660 PolarHBondContact O-N 3.4Å; S657-F660 PolarHBondContact O-N 2.67Å; K658-F660 VanDerWaalsContact C-N 3.33Å; K658-F660 PolarHBondContact O-N 3.16Å; F660-W752 WeakPolarHBondContact O-CZ2 3.47Å; F660-W752 PolarHBondContact O-NE1 2.79Å; F660-W752 VanDerWaalsContact O-NE1 3.08Å; F660-T756 HydrophobicContact CD1-CG2 3.67Å; F660-T756 HydrophobicContact CE1-CG2 4.15Å; F660-L761 HydrophobicContact CE1-CD1 4.16Å; F660-F782 HydrophobicContact CB-CE2 3.99Å; F660-F782 HydrophobicContact CB-CZ 4.37Å; F660-F782 HydrophobicContact CD1-CE2 4.49Å; F660-F782 HydrophobicContact CD1-CZ 4.04Å; F660-F782 AromaticContact CD2-CE2 3.94Å; F660-F782 HydrophobicContact CD2-CE2 3.94Å; F660-F782 AromaticContact CD2-CZ 3.9Å; F660-F782 HydrophobicContact CD2-CZ 3.9Å; F660-F782 HydrophobicContact CE1-CZ 4.29Å; F660-F782 HydrophobicContact CE2-CZ 4.14Å; F660-F782 AromaticContact CG-CE2 3.89Å; F660-F782 HydrophobicContact CG-CE2 3.89Å; F660-F782 AromaticContact CG-CZ 3.83Å; F660-F782 HydrophobicContact CG-CZ 3.83Å; F660-F782 HydrophobicContact CZ-CZ 4.32Å; F660-L786 HydrophobicContact CB-CD1 4.33Å; F660-L786 HydrophobicContact CD1-CD1 3.91Å
661	R	90.8	Very high	94.8	Very high	77 Å²	77	34.4 Å²	34.4	29%	0.291	18%	0.179	S	C	.	.	H	α-helix	trans	-72.6	-46.1	-174.1	-172.2	-171.6	-57.8	132.9	-1.1	112.2	D595 S657 K658 D785	D595-R661 IonicContact OD1-NH1 2.95Å; D595-R661 PolarHBondContact OD1-NH1 3.43Å; D595-R661 IonicContact OD2-NH1 3.59Å; D595-R661 PolarHBondContact OD2-NH1 2.66Å; D595-R661 VanDerWaalsContact OD2-NH1 3.12Å; S657-R661 WeakPolarHBondContact O-CB 3.44Å; S657-R661 PolarHBondContact O-N 2.9Å; K658-R661 PolarHBondContact O-N 3.34Å; R661-D785 IonicContact CZ-OD2 3.4Å; R661-D785 IonicContact NH2-OD2 3.94Å; R661-D785 PolarHBondContact NH2-OD2 3.37Å
662	S	91.7	Very high	94.7	Very high	45 Å²	45	31.5 Å²	31.5	32%	0.315	16%	0.164	S	C	.	.			trans	-154.8	68	-174.4	54.5	0	0	0	0	112.8	A594 D595 K658 D664	A594-S662 CarbonylContact C-O 3.37Å; A594-S662 VanDerWaalsContact CA-O 3.23Å; A594-S662 WeakPolarHBondContact CA-O 3.38Å; D595-S662 WeakPolarHBondContact CA-OG 3.49Å; D595-S662 PolarHBondContact N-O 3.19Å; D595-S662 PolarHBondContact N-OG 2.84Å; D595-S662 VanDerWaalsContact N-OG 3.14Å; D595-S662 PolarHBondContact OD1-OG 2.8Å; K658-S662 PolarHBondContact O-N 3.07Å; K658-S662 VanDerWaalsContact O-N 3.13Å; S662-D664 PolarHBondContact O-N 3.4Å
663	P	95.4	Very high	94.5	Very high	11 Å²	11	32.4 Å²	32.4	7%	0.071	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-63.5	133.9	171.6	27.9	-31.2	0	0	0	110.5	F589 L592 L659 W665 W752	F589-P663 HydrophobicContact CE2-CB 4.37Å; F589-P663 HydrophobicContact CE2-CG 4.37Å; L592-P663 HydrophobicContact CD1-CB 4.12Å; L659-P663 HydrophobicContact CD1-CB 4.27Å; L659-P663 WeakPolarHBondContact O-CB 3.21Å; L659-P663 WeakPolarHBondContact O-CD 3.45Å; L659-P663 WeakPolarHBondContact O-CG 3.45Å; P663-W665 PolarHBondContact O-N 3.35Å; P663-W665 VanDerWaalsContact O-N 3.13Å; P663-W752 VanDerWaalsContact CD-CE2 3.47Å; P663-W752 HydrophobicContact CG-CD2 3.81Å; P663-W752 VanDerWaalsContact CG-CE2 3.49Å; P663-W752 HydrophobicContact CG-CE3 4.44Å; P663-W752 HydrophobicContact CG-CG 4.1Å; P663-W752 HydrophobicContact CG-CH2 4.49Å; P663-W752 HydrophobicContact CG-CZ2 3.89Å
664	D	96.1	Very high	94.4	Very high	58 Å²	58	32.3 Å²	32.3	31%	0.31	17%	0.169	S	C	.	.			trans	-83.3	87.8	-179.9	-173.1	8.4	0	0	0	111.3	G593 S662 S666	G593-D664 PolarHBondContact O-N 3.16Å; S662-D664 PolarHBondContact O-N 3.4Å; D664-S666 PolarHBondContact O-N 3.46Å; D664-S666 VanDerWaalsContact OD1-CB 3.25Å; D664-S666 WeakPolarHBondContact OD1-CB 3.42Å; D664-S666 PolarHBondContact OD1-N 2.98Å; D664-S666 PolarHBondContact OD1-OG 3.21Å
665	W	95.2	Very high	94.3	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.019	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.3	172.4	-62.7	101.6	0	0	0	113.8	F585 L588 F589 L592 P663 L671 I745 M748 K749 W752	F585-W665 AromaticContact CD2-CH2 3.75Å; F585-W665 HydrophobicContact CD2-CH2 3.75Å; F585-W665 HydrophobicContact CD2-CZ2 4.06Å; F585-W665 AromaticContact CE2-CH2 3.72Å; F585-W665 HydrophobicContact CE2-CH2 3.72Å; F585-W665 AromaticContact CE2-CZ2 3.58Å; F585-W665 HydrophobicContact CE2-CZ2 3.58Å; L588-W665 HydrophobicContact CB-CZ3 4.13Å; L588-W665 HydrophobicContact CD1-CZ3 4.44Å; F589-W665 HydrophobicContact CB-CH2 4.45Å; F589-W665 HydrophobicContact CD2-CH2 4.38Å; F589-W665 AromaticContact CD2-CZ2 3.94Å; F589-W665 HydrophobicContact CD2-CZ2 3.94Å; L592-W665 HydrophobicContact CD1-CD2 3.7Å; L592-W665 HydrophobicContact CD1-CE3 3.59Å; L592-W665 HydrophobicContact CD1-CG 4.45Å; L592-W665 HydrophobicContact CD1-CH2 3.65Å; L592-W665 HydrophobicContact CD1-CZ2 3.74Å; L592-W665 HydrophobicContact CD1-CZ3 3.57Å; P663-W665 PolarHBondContact O-N 3.35Å; P663-W665 VanDerWaalsContact O-N 3.13Å; W665-L671 HydrophobicContact CE3-CD2 4.35Å; W665-L671 HydrophobicContact CZ3-CD2 4.47Å; W665-I745 HydrophobicContact CB-CG2 4.07Å; W665-I745 WeakPolarHBondContact O-CD1 3.2Å; W665-I745 WeakPolarHBondContact O-CG1 3.4Å; W665-M748 HydrophobicContact CD2-CB 3.97Å; W665-M748 HydrophobicContact CE3-CB 3.5Å; W665-M748 HydrophobicContact CE3-CG 3.95Å; W665-M748 HydrophobicContact CH2-CB 3.72Å; W665-M748 HydrophobicContact CH2-CG 4.19Å; W665-M748 HydrophobicContact CH2-SD 4.42Å; W665-M748 HydrophobicContact CZ2-CB 4.15Å; W665-M748 HydrophobicContact CZ3-CB 3.37Å; W665-M748 HydrophobicContact CZ3-CG 3.57Å; W665-M748 HydrophobicContact CZ3-SD 4.16Å; W665-K749 HydrophobicContact CB-CG 4.26Å; W665-K749 HydrophobicContact CG-CG 4Å; W665-W752 HydrophobicContact CZ2-CB 4.28Å
666	S	92.2	Very high	94.2	Very high	88 Å²	88	28.9 Å²	28.9	62%	0.615	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-18.1	-172.8	75.6	0	0	0	0	113.9	D664 Q668	D664-S666 PolarHBondContact O-N 3.46Å; D664-S666 VanDerWaalsContact OD1-CB 3.25Å; D664-S666 WeakPolarHBondContact OD1-CB 3.42Å; D664-S666 PolarHBondContact OD1-N 2.98Å; D664-S666 PolarHBondContact OD1-OG 3.21Å; S666-Q668 PolarHBondContact O-N 3.45Å
667	D	93.1	Very high	94.1	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	16%	0.16	S	C	.	.			trans	-74.3	83.7	179.2	-168.2	-17.8	0	0	0	112	E669 R670 L671	D667-E669 VanDerWaalsContact C-N 3.3Å; D667-E669 PolarHBondContact O-N 2.83Å; D667-E669 PolarHBondContact OD1-N 2.83Å; D667-R670 HydrophobicContact CB-CB 3.93Å; D667-R670 PolarHBondContact O-N 3.45Å; D667-R670 WeakPolarHBondContact OD1-CB 3.31Å; D667-R670 PolarHBondContact OD1-N 3.22Å; D667-R670 VanDerWaalsContact OD2-CB 3.3Å; D667-R670 WeakPolarHBondContact OD2-CB 3.47Å; D667-L671 VanDerWaalsContact O-CG 3.29Å; D667-L671 WeakPolarHBondContact O-CG 3.43Å; D667-L671 PolarHBondContact O-N 3.38Å; D667-L671 VanDerWaalsContact O-N 3.08Å
668	Q	93.1	Very high	94.1	Very high	57 Å²	57	30.2 Å²	30.2	27%	0.266	16%	0.16	S	C	.	.	H	α-helix	trans	-61.9	-34.1	-179.5	-74.8	-167.8	16.1	0	0	113.6	S666 S672 L741 I745	S666-Q668 PolarHBondContact O-N 3.45Å; Q668-S672 VanDerWaalsContact O-CB 3.27Å; Q668-S672 WeakPolarHBondContact O-CB 3.47Å; Q668-S672 PolarHBondContact O-N 2.98Å; Q668-L741 HydrophobicContact CB-CD1 3.98Å; Q668-L741 HydrophobicContact CG-CB 4.29Å; Q668-L741 HydrophobicContact CG-CD1 4.41Å; Q668-I745 HydrophobicContact CG-CD1 3.81Å
669	E	92	Very high	94.1	Very high	106 Å²	106	28.5 Å²	28.5	50%	0.495	15%	0.152	S	C	.	.	H	α-helix	trans	-72.9	-41.2	-178.8	-69.5	-59.2	153.3	0	0	110.9	D667 S672 T673 R737	D667-E669 VanDerWaalsContact C-N 3.3Å; D667-E669 PolarHBondContact O-N 2.83Å; D667-E669 PolarHBondContact OD1-N 2.83Å; E669-S672 PolarHBondContact O-N 3.02Å; E669-T673 WeakPolarHBondContact O-CB 3.49Å; E669-T673 PolarHBondContact O-N 2.97Å; E669-T673 PolarHBondContact O-OG1 2.89Å; E669-R737 IonicContact OE1-CZ 3.66Å; E669-R737 IonicContact OE1-NH1 3.49Å; E669-R737 PolarHBondContact OE1-NH1 3.38Å; E669-R737 IonicContact OE1-NH2 3Å; E669-R737 PolarHBondContact OE1-NH2 3.4Å; E669-R737 IonicContact OE2-CZ 3.12Å; E669-R737 IonicContact OE2-NH1 2.7Å; E669-R737 PolarHBondContact OE2-NH1 3.11Å; E669-R737 IonicContact OE2-NH2 3.28Å; E669-R737 PolarHBondContact OE2-NH2 2.96Å
670	R	94	Very high	94	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-49.6	172.3	176.2	58	179.1	178.4	-2.6	111.9	D324 Y329 R591 Y599 D667 S672 T673 V674	D324-R670 IonicContact OD1-CZ 3.44Å; D324-R670 IonicContact OD1-NH1 3.86Å; D324-R670 PolarHBondContact OD1-NH1 3.08Å; D324-R670 IonicContact OD1-NH2 2.58Å; D324-R670 PolarHBondContact OD1-NH2 3.49Å; D324-R670 IonicContact OD2-CZ 3.03Å; D324-R670 IonicContact OD2-NH1 3.9Å; D324-R670 IonicContact OD2-NH2 3.32Å; D324-R670 PolarHBondContact OD2-NH2 3.45Å; Y329-R670 PolarHBondContact OH-NH1 3.23Å; R591-R670 PolarHBondContact O-NE 3.37Å; R591-R670 VanDerWaalsContact O-NE 3.16Å; R591-R670 PolarHBondContact O-NH2 2.94Å; Y599-R670 HydrophobicContact CD1-CB 4.28Å; Y599-R670 HydrophobicContact CD1-CG 3.99Å; Y599-R670 HydrophobicContact CG-CG 4.15Å; D667-R670 HydrophobicContact CB-CB 3.93Å; D667-R670 PolarHBondContact O-N 3.45Å; D667-R670 WeakPolarHBondContact OD1-CB 3.31Å; D667-R670 PolarHBondContact OD1-N 3.22Å; D667-R670 VanDerWaalsContact OD2-CB 3.3Å; D667-R670 WeakPolarHBondContact OD2-CB 3.47Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 2.71Å; R670-T673 PolarHBondContact O-N 3.3Å; R670-V674 WeakPolarHBondContact O-CG2 3.21Å; R670-V674 PolarHBondContact O-N 2.98Å
671	L	95.1	Very high	93.9	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-46.1	177.8	-69.2	177.6	0	0	0	111.3	L588 L592 W665 D667 T673 V674 I675 I745	L588-L671 HydrophobicContact CB-CD2 4.43Å; L588-L671 HydrophobicContact CD1-CD2 3.89Å; L588-L671 HydrophobicContact CD2-CD2 3.82Å; L588-L671 HydrophobicContact CG-CD2 4.27Å; L592-L671 HydrophobicContact CD2-CD2 3.69Å; W665-L671 HydrophobicContact CE3-CD2 4.35Å; W665-L671 HydrophobicContact CZ3-CD2 4.47Å; D667-L671 VanDerWaalsContact O-CG 3.29Å; D667-L671 WeakPolarHBondContact O-CG 3.43Å; D667-L671 PolarHBondContact O-N 3.38Å; D667-L671 VanDerWaalsContact O-N 3.08Å; L671-T673 VanDerWaalsContact C-N 3.35Å; L671-T673 PolarHBondContact O-N 3.23Å; L671-V674 PolarHBondContact O-N 3.31Å; L671-I675 WeakPolarHBondContact O-CB 3.33Å; L671-I675 WeakPolarHBondContact O-CD1 3.43Å; L671-I675 WeakPolarHBondContact O-CG1 3.12Å; L671-I675 PolarHBondContact O-N 3.42Å; L671-I745 HydrophobicContact CD1-CD1 3.8Å; L671-I745 HydrophobicContact CD1-CG1 3.43Å; L671-I745 VanDerWaalsContact CD1-CG1 3.43Å
672	S	94.4	Very high	94	Very high	8 Å²	8	31.3 Å²	31.3	6%	0.056	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-48.4	175.2	178.7	0	0	0	0	111.3	Q668 E669 R670 I675 Q676 I730 R737	Q668-S672 VanDerWaalsContact O-CB 3.27Å; Q668-S672 WeakPolarHBondContact O-CB 3.47Å; Q668-S672 PolarHBondContact O-N 2.98Å; E669-S672 PolarHBondContact O-N 3.02Å; R670-S672 VanDerWaalsContact C-N 3.32Å; R670-S672 PolarHBondContact O-N 2.71Å; S672-I675 PolarHBondContact O-N 2.86Å; S672-Q676 WeakPolarHBondContact O-CB 3.45Å; S672-Q676 WeakPolarHBondContact O-CG 3.29Å; S672-Q676 PolarHBondContact O-N 2.58Å; S672-I730 WeakPolarHBondContact OG-CG2 3.4Å; S672-R737 PolarHBondContact OG-NH2 3.06Å
673	T	94.6	Very high	94.1	Very high	19 Å²	19	30.6 Å²	30.6	12%	0.117	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-50.3	-178.9	-58.9	0	0	0	0	111.2	I333 E669 R670 L671 I675 Q676 M677	I333-T673 HydrophobicContact CG2-CG2 4.23Å; E669-T673 WeakPolarHBondContact O-CB 3.49Å; E669-T673 PolarHBondContact O-N 2.97Å; E669-T673 PolarHBondContact O-OG1 2.89Å; R670-T673 PolarHBondContact O-N 3.3Å; L671-T673 VanDerWaalsContact C-N 3.35Å; L671-T673 PolarHBondContact O-N 3.23Å; T673-I675 PolarHBondContact O-N 3.02Å; T673-Q676 PolarHBondContact O-N 2.76Å; T673-M677 VanDerWaalsContact O-CB 3.31Å; T673-M677 WeakPolarHBondContact O-CB 3.49Å; T673-M677 PolarHBondContact O-N 2.83Å
674	V	95.5	Very high	93.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-40.2	-178.4	175.9	0	0	0	0	112.1	L588 R591 R670 L671 M677 S678	L588-V674 HydrophobicContact CD2-CB 3.77Å; L588-V674 HydrophobicContact CD2-CG1 3.57Å; R591-V674 VanDerWaalsContact NH1-CG1 3.35Å; R670-V674 WeakPolarHBondContact O-CG2 3.21Å; R670-V674 PolarHBondContact O-N 2.98Å; L671-V674 PolarHBondContact O-N 3.31Å; V674-M677 PolarHBondContact O-N 3.28Å; V674-S678 PolarHBondContact O-N 2.78Å
675	I	96	Very high	93.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-46.3	177.6	-69.3	166.8	0	0	0	111.1	L584 L588 L671 S672 T673 M677 S678 A679 M723 I726 I730 I744	L584-I675 HydrophobicContact CD1-CD1 4.28Å; L584-I675 HydrophobicContact CD1-CG1 3.7Å; L584-I675 HydrophobicContact CD2-CD1 4.46Å; L588-I675 HydrophobicContact CD1-CD1 4.46Å; L588-I675 HydrophobicContact CD1-CG1 4.47Å; L588-I675 HydrophobicContact CD2-CG1 4.23Å; L671-I675 WeakPolarHBondContact O-CB 3.33Å; L671-I675 WeakPolarHBondContact O-CD1 3.43Å; L671-I675 WeakPolarHBondContact O-CG1 3.12Å; L671-I675 PolarHBondContact O-N 3.42Å; S672-I675 PolarHBondContact O-N 2.86Å; T673-I675 PolarHBondContact O-N 3.02Å; I675-M677 VanDerWaalsContact C-N 3.32Å; I675-M677 PolarHBondContact O-N 3Å; I675-S678 PolarHBondContact O-N 3.32Å; I675-A679 WeakPolarHBondContact O-CB 3.34Å; I675-A679 PolarHBondContact O-N 2.82Å; I675-M723 HydrophobicContact CG2-CE 4.4Å; I675-I726 HydrophobicContact CG2-CG2 3.81Å; I675-I730 HydrophobicContact CB-CD1 3.98Å; I675-I730 HydrophobicContact CD1-CD1 3.67Å; I675-I730 HydrophobicContact CG1-CD1 4.4Å; I675-I730 HydrophobicContact CG2-CD1 3.56Å; I675-I744 HydrophobicContact CD1-CD1 4.45Å; I675-I744 HydrophobicContact CD1-CG2 4.45Å
676	Q	94.4	Very high	93.6	Very high	15 Å²	15	28.3 Å²	28.3	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-40.7	179	-68.6	-62.7	-14.6	0	0	111.7	H288 L339 S672 T673 A679 A680 A727	H288-Q676 PolarHBondContact NE2-OE1 3.47Å; L339-Q676 HydrophobicContact CD2-CB 4.27Å; S672-Q676 WeakPolarHBondContact O-CB 3.45Å; S672-Q676 WeakPolarHBondContact O-CG 3.29Å; S672-Q676 PolarHBondContact O-N 2.58Å; T673-Q676 PolarHBondContact O-N 2.76Å; Q676-A679 PolarHBondContact O-N 3.3Å; Q676-A680 WeakPolarHBondContact O-CB 3.37Å; Q676-A680 PolarHBondContact O-N 3.21Å; Q676-A727 PolarHBondContact NE2-O 2.84Å
677	M	94.6	Very high	93.5	Very high	29 Å²	29	26 Å²	26	14%	0.143	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-46.6	177	-164.9	-174.2	84.3	0	0	111.7	Y329 I333 L339 D340 T673 V674 I675 A679 A680 G681	Y329-M677 HydrophobicContact CE2-SD 4.18Å; I333-M677 HydrophobicContact CG2-SD 4.21Å; L339-M677 VanDerWaalsContact O-CA 3.27Å; L339-M677 WeakPolarHBondContact O-CA 3.23Å; L339-M677 WeakPolarHBondContact O-CB 3.4Å; D340-M677 HydrophobicContact CB-CG 3.87Å; D340-M677 WeakPolarHBondContact OD1-CG 3.16Å; T673-M677 VanDerWaalsContact O-CB 3.31Å; T673-M677 WeakPolarHBondContact O-CB 3.49Å; T673-M677 PolarHBondContact O-N 2.83Å; V674-M677 PolarHBondContact O-N 3.28Å; I675-M677 VanDerWaalsContact C-N 3.32Å; I675-M677 PolarHBondContact O-N 3Å; M677-A679 VanDerWaalsContact C-N 3.35Å; M677-A679 PolarHBondContact O-N 3.43Å; M677-A680 PolarHBondContact O-N 3.42Å; M677-G681 PolarHBondContact O-N 3.26Å
678	S	94.6	Very high	93.6	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-61.7	-42	175.7	178.8	0	0	0	0	111.7	V674 I675 E682 W683	V674-S678 PolarHBondContact O-N 2.78Å; I675-S678 PolarHBondContact O-N 3.32Å; S678-E682 PolarHBondContact O-N 3.41Å; S678-E682 PolarHBondContact OG-OE2 2.85Å; S678-W683 VanDerWaalsContact O-CD1 3.28Å; S678-W683 PolarHBondContact O-N 3.03Å; S678-W683 VanDerWaalsContact O-N 3.13Å; S678-W683 VanDerWaalsContact OG-CD1 3.25Å; S678-W683 PolarHBondContact OG-NE1 3.12Å
679	A	94.5	Very high	93.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-43.3	178.3	0	0	0	0	0	113.2	I675 Q676 M677 W683 S684 Q724 A727	I675-A679 WeakPolarHBondContact O-CB 3.34Å; I675-A679 PolarHBondContact O-N 2.82Å; Q676-A679 PolarHBondContact O-N 3.3Å; M677-A679 VanDerWaalsContact C-N 3.35Å; M677-A679 PolarHBondContact O-N 3.43Å; A679-W683 CarbonylContact O-C 3.51Å; A679-S684 PolarHBondContact O-N 3.08Å; A679-Q724 PolarHBondContact O-NE2 3.08Å; A679-A727 HydrophobicContact CB-CB 3.47Å; A679-A727 VanDerWaalsContact CB-CB 3.47Å
680	A	93.1	Very high	93.3	Very high	17 Å²	17	18.5 Å²	18.5	14%	0.14	10%	0.104	C	C	.	.	H	α-helix	trans	-75.7	-28.5	179.4	0	0	0	0	0	113.2	L339 D340 Q362 Q676 M677 S684	L339-A680 HydrophobicContact CB-CB 3.65Å; L339-A680 HydrophobicContact CD1-CB 4.16Å; D340-A680 HydrophobicContact CB-CB 4.14Å; Q362-A680 PolarHBondContact NE2-O 3.35Å; Q676-A680 WeakPolarHBondContact O-CB 3.37Å; Q676-A680 PolarHBondContact O-N 3.21Å; M677-A680 PolarHBondContact O-N 3.42Å; A680-S684 VanDerWaalsContact O-CB 3.26Å; A680-S684 WeakPolarHBondContact O-CB 3.17Å; A680-S684 PolarHBondContact O-OG 3.28Å
681	G	92.4	Very high	93.3	Very high	10 Å²	10	20.2 Å²	20.2	10%	0.103	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-94.2	175.4	0	0	0	0	0	111.6	D340 M677 W683 S684 A687	D340-G681 WeakPolarHBondContact OD2-CA 3.49Å; D340-G681 PolarHBondContact OD2-N 3.41Å; M677-G681 PolarHBondContact O-N 3.26Å; G681-W683 VanDerWaalsContact C-N 3.27Å; G681-W683 PolarHBondContact O-N 3.27Å; G681-S684 WeakPolarHBondContact O-CB 3.49Å; G681-S684 PolarHBondContact O-N 3.23Å; G681-S684 PolarHBondContact O-OG 3.26Å; G681-A687 WeakPolarHBondContact O-CB 3.42Å
682	E	92	Very high	93.3	Very high	118 Å²	118	20 Å²	20	55%	0.551	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-37	-169.6	-59.6	171	165.7	0	0	114.1	S678 A687	S678-E682 PolarHBondContact O-N 3.41Å; S678-E682 PolarHBondContact OG-OE2 2.85Å; E682-A687 WeakPolarHBondContact O-CB 3.46Å
683	W	93.3	Very high	93.5	Very high	30 Å²	30	21.1 Å²	21.1	11%	0.114	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	11.9	-173.8	-55.7	103.5	0	0	0	114.3	M285 S678 A679 G681 F695 Q719 A720 M723 Q724	M285-W683 WeakPolarHBondContact CE-O 3.38Å; S678-W683 VanDerWaalsContact O-CD1 3.28Å; S678-W683 PolarHBondContact O-N 3.03Å; S678-W683 VanDerWaalsContact O-N 3.13Å; S678-W683 VanDerWaalsContact OG-CD1 3.25Å; S678-W683 PolarHBondContact OG-NE1 3.12Å; A679-W683 CarbonylContact O-C 3.51Å; G681-W683 VanDerWaalsContact C-N 3.27Å; G681-W683 PolarHBondContact O-N 3.27Å; W683-F695 HydrophobicContact CZ3-CE1 4.22Å; W683-Q719 HydrophobicContact CE3-CG 4.43Å; W683-Q719 HydrophobicContact CH2-CB 3.8Å; W683-Q719 HydrophobicContact CH2-CG 3.31Å; W683-Q719 HydrophobicContact CZ2-CB 4.47Å; W683-Q719 HydrophobicContact CZ2-CG 3.53Å; W683-Q719 HydrophobicContact CZ3-CB 3.87Å; W683-Q719 HydrophobicContact CZ3-CG 3.81Å; W683-A720 HydrophobicContact CB-CB 4.46Å; W683-A720 HydrophobicContact CE3-CB 3.66Å; W683-A720 HydrophobicContact CZ3-CB 4.36Å; W683-M723 HydrophobicContact CB-CB 4.13Å; W683-M723 HydrophobicContact CD2-CB 4.4Å; W683-M723 HydrophobicContact CD2-CG 4.16Å; W683-M723 HydrophobicContact CG-CB 3.78Å; W683-M723 HydrophobicContact CG-CG 3.94Å; W683-Q724 VanDerWaalsContact C-NE2 3.33Å; W683-Q724 PolarHBondContact O-NE2 3.47Å
684	S	91.8	Very high	93.6	Very high	5 Å²	5	25.4 Å²	25.4	4%	0.035	14%	0.139	C	C	.	.	S	Bend	trans	-78.3	163	177.2	66.8	0	0	0	0	113.1	A679 A680 G681 N686 A687 I688	A679-S684 PolarHBondContact O-N 3.08Å; A680-S684 VanDerWaalsContact O-CB 3.26Å; A680-S684 WeakPolarHBondContact O-CB 3.17Å; A680-S684 PolarHBondContact O-OG 3.28Å; G681-S684 WeakPolarHBondContact O-CB 3.49Å; G681-S684 PolarHBondContact O-N 3.23Å; G681-S684 PolarHBondContact O-OG 3.26Å; S684-N686 PolarHBondContact O-N 2.84Å; S684-A687 PolarHBondContact O-N 2.84Å; S684-A687 PolarHBondContact OG-N 2.95Å; S684-I688 WeakPolarHBondContact O-CG1 3.11Å; S684-I688 PolarHBondContact O-N 3.31Å
685	A	92.4	Very high	93.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-35.6	174.4	0	0	0	0	0	112.1	D283 M285 S689 M818 P819 Y820	D283-A685 WeakPolarHBondContact OD1-CB 3.1Å; D283-A685 PolarHBondContact OD2-N 3.41Å; M285-A685 HydrophobicContact CG-CB 4.44Å; M285-A685 HydrophobicContact SD-CB 4.27Å; A685-S689 PolarHBondContact O-N 3.23Å; A685-S689 VanDerWaalsContact O-N 3.08Å; A685-M818 HydrophobicContact CB-CE 3.55Å; A685-P819 HydrophobicContact CB-CG 3.72Å; A685-Y820 WeakPolarHBondContact O-CE1 3.4Å; A685-Y820 PolarHBondContact O-OH 3.21Å
686	N	92.2	Very high	93.8	Very high	20 Å²	20	26.6 Å²	26.6	11%	0.107	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-45.8	177.6	-71	-50	0	0	0	111.6	N180 S181 L182 S684 S689	N180-N686 PolarHBondContact ND2-O 3.43Å; N180-N686 VanDerWaalsContact ND2-O 3.15Å; N180-N686 PolarHBondContact OD1-OD1 3.05Å; S181-N686 PolarHBondContact N-OD1 3.07Å; S181-N686 VanDerWaalsContact N-OD1 3.07Å; S181-N686 VanDerWaalsContact OG-CG 3.31Å; S181-N686 PolarHBondContact OG-ND2 3.33Å; S181-N686 VanDerWaalsContact OG-ND2 3.1Å; S181-N686 PolarHBondContact OG-OD1 2.86Å; L182-N686 HydrophobicContact CD1-CB 3.91Å; L182-N686 HydrophobicContact CG-CB 4.07Å; S684-N686 PolarHBondContact O-N 2.84Å; N686-S689 WeakPolarHBondContact O-CB 3.42Å; N686-S689 PolarHBondContact O-N 3.34Å
687	A	90.9	Very high	94	Very high	40 Å²	40	26.7 Å²	26.7	33%	0.331	15%	0.145	S	C	.	.	H	α-helix	trans	-66.7	-38.9	179	0	0	0	0	0	112.5	G681 E682 S684 S689	G681-A687 WeakPolarHBondContact O-CB 3.42Å; E682-A687 WeakPolarHBondContact O-CB 3.46Å; S684-A687 PolarHBondContact O-N 2.84Å; S684-A687 PolarHBondContact OG-N 2.95Å; A687-S689 VanDerWaalsContact C-N 3.33Å; A687-S689 PolarHBondContact O-N 3.35Å
688	I	94	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.2	-36.5	177.3	-69.3	162.8	0	0	0	111.3	M285 S684 D690 S691 A692 F695 M717 A720 Y820	M285-I688 HydrophobicContact CE-CD1 3.81Å; M285-I688 HydrophobicContact SD-CD1 3.83Å; S684-I688 WeakPolarHBondContact O-CG1 3.11Å; S684-I688 PolarHBondContact O-N 3.31Å; I688-D690 VanDerWaalsContact C-N 3.31Å; I688-D690 PolarHBondContact O-N 2.93Å; I688-S691 CarbonylContact O-C 3.6Å; I688-S691 PolarHBondContact O-N 3.19Å; I688-S691 VanDerWaalsContact O-N 3.08Å; I688-A692 HydrophobicContact CG2-CB 4.33Å; I688-A692 VanDerWaalsContact O-CA 3.31Å; I688-A692 WeakPolarHBondContact O-CA 3.36Å; I688-A692 WeakPolarHBondContact O-CB 3.13Å; I688-A692 PolarHBondContact O-N 2.9Å; I688-F695 HydrophobicContact CB-CE2 4.36Å; I688-F695 HydrophobicContact CG1-CE1 4.23Å; I688-F695 HydrophobicContact CG1-CE2 4.04Å; I688-F695 HydrophobicContact CG1-CZ 3.88Å; I688-F695 HydrophobicContact CG2-CD2 3.87Å; I688-F695 HydrophobicContact CG2-CE2 4.17Å; I688-F695 HydrophobicContact CG2-CG 4.13Å; I688-M717 HydrophobicContact CD1-SD 4.4Å; I688-M717 HydrophobicContact CG2-SD 4.33Å; I688-A720 HydrophobicContact CD1-CB 4.05Å; I688-Y820 WeakPolarHBondContact CG2-OH 3.24Å
689	S	92.3	Very high	94.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-51.8	-44.7	-174.1	-179.9	0	0	0	0	113.6	A685 N686 A687 S691 Y820 Y824	A685-S689 PolarHBondContact O-N 3.23Å; A685-S689 VanDerWaalsContact O-N 3.08Å; N686-S689 WeakPolarHBondContact O-CB 3.42Å; N686-S689 PolarHBondContact O-N 3.34Å; A687-S689 VanDerWaalsContact C-N 3.33Å; A687-S689 PolarHBondContact O-N 3.35Å; S689-S691 VanDerWaalsContact C-N 3.26Å; S689-S691 PolarHBondContact O-N 3.06Å; S689-Y820 PolarHBondContact N-OH 3.43Å; S689-Y824 PolarHBondContact O-OH 2.81Å; S689-Y824 VanDerWaalsContact O-OH 3.12Å
690	D	88.2	Confident	94.2	Very high	59 Å²	59	26.2 Å²	26.2	32%	0.316	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-30	-175.4	-69.6	-26	0	0	0	112.4	I688 Y881	I688-D690 VanDerWaalsContact C-N 3.31Å; I688-D690 PolarHBondContact O-N 2.93Å; D690-Y881 WeakPolarHBondContact O-CE2 3.25Å; D690-Y881 PolarHBondContact O-OH 3.25Å
691	S	93	Very high	94.3	Very high	42 Å²	42	25.4 Å²	25.4	29%	0.294	14%	0.136	S	C	.	.	H	α-helix	trans	-118	19.3	-177.8	-64	0	0	0	0	113.8	I688 S689 H693 Q694 F695	I688-S691 CarbonylContact O-C 3.6Å; I688-S691 PolarHBondContact O-N 3.19Å; I688-S691 VanDerWaalsContact O-N 3.08Å; S689-S691 VanDerWaalsContact C-N 3.26Å; S689-S691 PolarHBondContact O-N 3.06Å; S691-H693 PolarHBondContact O-N 3.02Å; S691-H693 VanDerWaalsContact O-N 3.08Å; S691-Q694 WeakPolarHBondContact O-CA 3.5Å; S691-Q694 VanDerWaalsContact O-CB 3.29Å; S691-Q694 WeakPolarHBondContact O-CB 3.11Å; S691-Q694 PolarHBondContact O-N 3.44Å; S691-F695 PolarHBondContact O-N 3.45Å
692	A	95.9	Very high	94.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-28.4	-171.4	0	0	0	0	0	113.9	I688 Q694 F695 A696 Y820 Y824 I984	I688-A692 HydrophobicContact CG2-CB 4.33Å; I688-A692 VanDerWaalsContact O-CA 3.31Å; I688-A692 WeakPolarHBondContact O-CA 3.36Å; I688-A692 WeakPolarHBondContact O-CB 3.13Å; I688-A692 PolarHBondContact O-N 2.9Å; A692-Q694 VanDerWaalsContact C-N 3.28Å; A692-Q694 PolarHBondContact O-N 3.16Å; A692-F695 PolarHBondContact O-N 3.13Å; A692-A696 WeakPolarHBondContact O-CB 3.38Å; A692-A696 PolarHBondContact O-N 2.7Å; A692-Y820 HydrophobicContact CB-CE2 4.26Å; A692-Y824 HydrophobicContact CB-CD1 3.92Å; A692-Y824 HydrophobicContact CB-CD2 3.31Å; A692-Y824 HydrophobicContact CB-CE1 4.12Å; A692-Y824 HydrophobicContact CB-CE2 3.51Å; A692-Y824 HydrophobicContact CB-CG 3.51Å; A692-I984 WeakPolarHBondContact O-CD1 3.34Å
693	H	97.2	Very high	94	Very high	30 Å²	30	21.3 Å²	21.3	14%	0.139	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-33	171	63.3	-73.6	0	0	0	113	S691 M697 Y824 Y879 Y881	S691-H693 PolarHBondContact O-N 3.02Å; S691-H693 VanDerWaalsContact O-N 3.08Å; H693-M697 WeakPolarHBondContact O-CB 3.4Å; H693-M697 WeakPolarHBondContact O-CG 3.33Å; H693-M697 PolarHBondContact O-N 3.14Å; H693-Y824 HydrophobicContact CB-CD1 4.13Å; H693-Y879 HydrophobicContact CB-CD2 4.32Å; H693-Y881 HydrophobicContact CB-CD2 4.05Å; H693-Y881 AromaticContact CE1-CD2 3.82Å; H693-Y881 AromaticContact CE1-CE2 3.81Å; H693-Y881 AromaticContact CG-CD2 3.69Å; H693-Y881 AromaticContact ND1-CD2 3.12Å; H693-Y881 WeakPolarHBondContact ND1-CD2 3.26Å; H693-Y881 AromaticContact ND1-CE2 3.34Å; H693-Y881 VanDerWaalsContact ND1-CE2 3.34Å; H693-Y881 WeakPolarHBondContact ND1-CE2 3.48Å
694	Q	97.5	Very high	93.8	Very high	109 Å²	109	20.4 Å²	20.4	51%	0.509	12%	0.116	S	C	.	.	H	α-helix	trans	-71.4	-42.2	175.8	-54.8	-174.4	8.7	0	0	111.3	S691 A692 M697 C698	S691-Q694 WeakPolarHBondContact O-CA 3.5Å; S691-Q694 VanDerWaalsContact O-CB 3.29Å; S691-Q694 WeakPolarHBondContact O-CB 3.11Å; S691-Q694 PolarHBondContact O-N 3.44Å; A692-Q694 VanDerWaalsContact C-N 3.28Å; A692-Q694 PolarHBondContact O-N 3.16Å; Q694-M697 HydrophobicContact CG-CE 4.44Å; Q694-M697 PolarHBondContact O-N 2.8Å; Q694-C698 WeakPolarHBondContact O-CB 3.39Å; Q694-C698 PolarHBondContact O-N 3.42Å
695	F	97.5	Very high	93.6	Very high	28 Å²	28	20.4 Å²	20.4	12%	0.123	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-44.6	172.8	-75.3	-90.1	0	0	0	111.3	W683 I688 S691 A692 M697 C698 R699 M717 I984	W683-F695 HydrophobicContact CZ3-CE1 4.22Å; I688-F695 HydrophobicContact CB-CE2 4.36Å; I688-F695 HydrophobicContact CG1-CE1 4.23Å; I688-F695 HydrophobicContact CG1-CE2 4.04Å; I688-F695 HydrophobicContact CG1-CZ 3.88Å; I688-F695 HydrophobicContact CG2-CD2 3.87Å; I688-F695 HydrophobicContact CG2-CE2 4.17Å; I688-F695 HydrophobicContact CG2-CG 4.13Å; S691-F695 PolarHBondContact O-N 3.45Å; A692-F695 PolarHBondContact O-N 3.13Å; F695-M697 PolarHBondContact O-N 3.08Å; F695-C698 PolarHBondContact O-N 2.92Å; F695-R699 PolarHBondContact O-N 2.69Å; F695-M717 HydrophobicContact CB-CG 4.17Å; F695-M717 HydrophobicContact CB-SD 3.98Å; F695-M717 HydrophobicContact CD1-CG 4.23Å; F695-M717 HydrophobicContact CD1-SD 3.81Å; F695-M717 HydrophobicContact CG-SD 4.13Å; F695-I984 HydrophobicContact CB-CD1 3.9Å
696	A	97.9	Very high	93.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-46	175.7	0	0	0	0	0	111.8	A692 A700 A826 V982 I984	A692-A696 WeakPolarHBondContact O-CB 3.38Å; A692-A696 PolarHBondContact O-N 2.7Å; A696-A700 VanDerWaalsContact O-CB 3.26Å; A696-A700 WeakPolarHBondContact O-CB 3.32Å; A696-A700 PolarHBondContact O-N 2.87Å; A696-A826 VanDerWaalsContact C-CB 3.46Å; A696-A826 HydrophobicContact CB-CB 3.75Å; A696-V982 HydrophobicContact CB-CB 4.33Å; A696-V982 HydrophobicContact CB-CG1 3.99Å; A696-I984 HydrophobicContact CB-CD1 4.02Å; A696-I984 HydrophobicContact CB-CG1 4.1Å
697	M	98.2	Very high	93.4	Very high	17 Å²	17	19.5 Å²	19.5	8%	0.084	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-41.2	176	-78	-171.4	-71.3	0	0	112.9	H693 Q694 F695 A700 A701 A826 L877 Y879	H693-M697 WeakPolarHBondContact O-CB 3.4Å; H693-M697 WeakPolarHBondContact O-CG 3.33Å; H693-M697 PolarHBondContact O-N 3.14Å; Q694-M697 HydrophobicContact CG-CE 4.44Å; Q694-M697 PolarHBondContact O-N 2.8Å; F695-M697 PolarHBondContact O-N 3.08Å; M697-A700 PolarHBondContact O-N 3.28Å; M697-A701 WeakPolarHBondContact O-CB 3.38Å; M697-A701 PolarHBondContact O-N 2.95Å; M697-A701 VanDerWaalsContact O-N 3.09Å; M697-A826 HydrophobicContact CB-CB 4.48Å; M697-A826 HydrophobicContact CG-CB 3.98Å; M697-L877 HydrophobicContact CG-CB 4.43Å; M697-L877 HydrophobicContact SD-CB 4Å; M697-L877 HydrophobicContact SD-CD1 4.23Å; M697-Y879 HydrophobicContact CE-CD1 4.49Å; M697-Y879 HydrophobicContact CE-CG 4.29Å; M697-Y879 HydrophobicContact SD-CD1 3.95Å; M697-Y879 HydrophobicContact SD-CG 4.02Å
698	C	96.9	Very high	93.5	Very high	15 Å²	15	17.7 Å²	17.7	10%	0.101	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-50.4	178.8	-165.9	0	0	0	0	110.8	Q694 F695 A700 A701 A702 E712	Q694-C698 WeakPolarHBondContact O-CB 3.39Å; Q694-C698 PolarHBondContact O-N 3.42Å; F695-C698 PolarHBondContact O-N 2.92Å; C698-A700 PolarHBondContact O-N 2.62Å; C698-A701 PolarHBondContact O-N 3.25Å; C698-A702 PolarHBondContact O-N 2.95Å; C698-A702 VanDerWaalsContact O-N 3.1Å; C698-E712 VanDerWaalsContact SG-CA 3.55Å; C698-E712 PolarHBondContact SG-OE2 3.18Å
699	R	95.9	Very high	93.4	Very high	8 Å²	8	18.4 Å²	18.4	3%	0.03	10%	0.1	C	C	.	.	H	α-helix	trans	-64.7	-40.7	177.7	178.4	59.5	172.9	-152.9	-9	112.8	F695 A701 A702 E712 E718 F816 V982 E1006	F695-R699 PolarHBondContact O-N 2.69Å; R699-A701 PolarHBondContact O-N 2.8Å; R699-A702 WeakPolarHBondContact O-CB 3.43Å; R699-A702 PolarHBondContact O-N 2.97Å; R699-E712 VanDerWaalsContact CA-OE2 3.26Å; R699-E712 WeakPolarHBondContact CA-OE2 3.35Å; R699-E712 PolarHBondContact N-OE2 2.84Å; R699-E712 VanDerWaalsContact N-OE2 3.08Å; R699-E718 IonicContact CZ-OE1 3.65Å; R699-E718 VanDerWaalsContact NH1-CG 3.32Å; R699-E718 IonicContact NH1-OE1 3.75Å; R699-E718 PolarHBondContact NH1-OE1 3Å; R699-E718 IonicContact NH2-OE1 2.67Å; R699-E718 PolarHBondContact NH2-OE1 2.95Å; R699-F816 HydrophobicContact CB-CE2 4.45Å; R699-F816 HydrophobicContact CG-CE2 3.79Å; R699-F816 HydrophobicContact CG-CZ 4.01Å; R699-V982 HydrophobicContact CB-CG1 4.47Å; R699-V982 HydrophobicContact CB-CG2 3.83Å; R699-V982 HydrophobicContact CG-CG1 4.45Å; R699-V982 HydrophobicContact CG-CG2 3.54Å; R699-E1006 IonicContact NH2-OE2 3.29Å
700	A	95.5	Very high	93.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-33.6	177.5	0	0	0	0	0	111.9	A696 M697 C698 A826 A828 G980 V982	A696-A700 VanDerWaalsContact O-CB 3.26Å; A696-A700 WeakPolarHBondContact O-CB 3.32Å; A696-A700 PolarHBondContact O-N 2.87Å; M697-A700 PolarHBondContact O-N 3.28Å; C698-A700 PolarHBondContact O-N 2.62Å; A700-A826 HydrophobicContact CB-CB 4.13Å; A700-A828 VanDerWaalsContact C-CB 3.48Å; A700-A828 HydrophobicContact CB-CB 3.94Å; A700-A828 WeakPolarHBondContact O-CB 3.47Å; A700-G980 WeakPolarHBondContact O-CA 3.49Å; A700-V982 HydrophobicContact CB-CB 4.26Å; A700-V982 HydrophobicContact CB-CG2 3.81Å
701	A	94.7	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-88.6	-11.2	-177.8	0	0	0	0	0	114.1	M697 C698 R699 S703 L704 L708 A828 L877	M697-A701 WeakPolarHBondContact O-CB 3.38Å; M697-A701 PolarHBondContact O-N 2.95Å; M697-A701 VanDerWaalsContact O-N 3.09Å; C698-A701 PolarHBondContact O-N 3.25Å; R699-A701 PolarHBondContact O-N 2.8Å; A701-S703 PolarHBondContact O-N 3.09Å; A701-S703 VanDerWaalsContact O-N 3.09Å; A701-L704 HydrophobicContact CB-CD1 4.2Å; A701-L704 WeakPolarHBondContact O-CB 3.41Å; A701-L704 WeakPolarHBondContact O-CG 3.5Å; A701-L704 PolarHBondContact O-N 3.16Å; A701-L708 HydrophobicContact CB-CD1 4.29Å; A701-L708 HydrophobicContact CB-CD2 3.8Å; A701-L708 HydrophobicContact CB-CG 4.46Å; A701-L708 VanDerWaalsContact O-CB 3.24Å; A701-L708 WeakPolarHBondContact O-CB 3.33Å; A701-A828 HydrophobicContact CB-CB 3.71Å; A701-L877 HydrophobicContact CB-CD2 3.7Å
702	A	92.6	Very high	93.8	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.7	-171	0	0	0	0	0	113.8	C698 R699 L709 E712 I810	C698-A702 PolarHBondContact O-N 2.95Å; C698-A702 VanDerWaalsContact O-N 3.1Å; R699-A702 WeakPolarHBondContact O-CB 3.43Å; R699-A702 PolarHBondContact O-N 2.97Å; A702-L709 VanDerWaalsContact O-CA 3.25Å; A702-L709 WeakPolarHBondContact O-CA 3.25Å; A702-L709 VanDerWaalsContact O-CB 3.27Å; A702-L709 WeakPolarHBondContact O-CB 3.46Å; A702-L709 PolarHBondContact O-N 3.3Å; A702-E712 HydrophobicContact CB-CB 3.64Å; A702-E712 HydrophobicContact CB-CG 3.85Å; A702-I810 HydrophobicContact CB-CD1 4.39Å
703	S	86.5	Confident	93.7	Very high	41 Å²	41	17.9 Å²	17.9	29%	0.287	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.1	-178.4	71.3	0	0	0	0	115	A701	A701-S703 PolarHBondContact O-N 3.09Å; A701-S703 VanDerWaalsContact O-N 3.09Å
704	L	88.4	Confident	93.7	Very high	11 Å²	11	16.7 Å²	16.7	6%	0.058	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-30.3	-170.5	-57.5	179.6	0	0	0	113.9	A701 L708 A828 E830 A875 N978	A701-L704 HydrophobicContact CB-CD1 4.2Å; A701-L704 WeakPolarHBondContact O-CB 3.41Å; A701-L704 WeakPolarHBondContact O-CG 3.5Å; A701-L704 PolarHBondContact O-N 3.16Å; L704-L708 HydrophobicContact CB-CD1 3.73Å; L704-L708 HydrophobicContact CD1-CD1 4.33Å; L704-A828 HydrophobicContact CD1-CB 3.72Å; L704-E830 HydrophobicContact CD2-CB 4.31Å; L704-A875 HydrophobicContact CD1-CB 3.98Å; L704-N978 WeakPolarHBondContact CD2-O 3.41Å
705	S	88.4	Confident	93.6	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.028	8%	0.08	C	C	.	.			trans	-156	162.7	178.5	79	0	0	0	0	111.6	T707 L708 L709 E874	S705-T707 VanDerWaalsContact C-N 3.27Å; S705-T707 PolarHBondContact O-N 3.3Å; S705-T707 PolarHBondContact OG-N 2.77Å; S705-L708 PolarHBondContact O-N 3.33Å; S705-L708 WeakPolarHBondContact OG-CB 3.4Å; S705-L708 WeakPolarHBondContact OG-CD1 3.43Å; S705-L708 WeakPolarHBondContact OG-CG 3.4Å; S705-L708 PolarHBondContact OG-N 3.27Å; S705-L708 VanDerWaalsContact OG-N 3.09Å; S705-L709 PolarHBondContact O-N 3.36Å; S705-E874 WeakPolarHBondContact CB-OE2 3.37Å; S705-E874 PolarHBondContact OG-OE2 2.79Å
706	S	88.1	Confident	93.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-61.1	-36.4	174.6	-172.6	0	0	0	0	112.1	R636 T710	R636-S706 PolarHBondContact NH1-OG 3.25Å; S706-T710 WeakPolarHBondContact O-CB 3.31Å; S706-T710 PolarHBondContact O-N 2.89Å; S706-T710 PolarHBondContact O-OG1 2.62Å
707	T	92.3	Very high	93.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-45.9	175.5	-54.2	0	0	0	0	111	V619 P621 S705 T710 R711 E874	V619-T707 HydrophobicContact CG1-CG2 4.48Å; V619-T707 HydrophobicContact CG2-CG2 4.09Å; P621-T707 HydrophobicContact CG-CG2 4.04Å; S705-T707 VanDerWaalsContact C-N 3.27Å; S705-T707 PolarHBondContact O-N 3.3Å; S705-T707 PolarHBondContact OG-N 2.77Å; T707-T710 PolarHBondContact O-N 2.67Å; T707-R711 PolarHBondContact O-N 3.09Å; T707-E874 WeakPolarHBondContact CB-OE2 3.32Å; T707-E874 PolarHBondContact OG1-OE2 2.9Å
708	L	93.3	Very high	93	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-71.4	-39	-177.4	-71.6	162.9	0	0	0	112.1	A701 L704 S705 R711 E712 E874 A875	A701-L708 HydrophobicContact CB-CD1 4.29Å; A701-L708 HydrophobicContact CB-CD2 3.8Å; A701-L708 HydrophobicContact CB-CG 4.46Å; A701-L708 VanDerWaalsContact O-CB 3.24Å; A701-L708 WeakPolarHBondContact O-CB 3.33Å; L704-L708 HydrophobicContact CB-CD1 3.73Å; L704-L708 HydrophobicContact CD1-CD1 4.33Å; S705-L708 PolarHBondContact O-N 3.33Å; S705-L708 WeakPolarHBondContact OG-CB 3.4Å; S705-L708 WeakPolarHBondContact OG-CD1 3.43Å; S705-L708 WeakPolarHBondContact OG-CG 3.4Å; S705-L708 PolarHBondContact OG-N 3.27Å; S705-L708 VanDerWaalsContact OG-N 3.09Å; L708-R711 WeakPolarHBondContact O-CB 3.02Å; L708-R711 PolarHBondContact O-N 2.62Å; L708-E712 PolarHBondContact O-N 2.75Å; L708-E712 VanDerWaalsContact O-N 3.08Å; L708-E874 HydrophobicContact CD1-CB 4.03Å; L708-A875 HydrophobicContact CD1-CB 3.84Å; L708-A875 HydrophobicContact CD2-CB 4.42Å
709	L	91.1	Very high	92.9	Very high	15 Å²	15	13.1 Å²	13.1	8%	0.079	7%	0.073	C	C	.	.	H	α-helix	trans	-58.9	-48.2	170.6	176.9	60.2	0	0	0	111.5	A702 S705 R711 E712 L713 F807 P808 I810	A702-L709 VanDerWaalsContact O-CA 3.25Å; A702-L709 WeakPolarHBondContact O-CA 3.25Å; A702-L709 VanDerWaalsContact O-CB 3.27Å; A702-L709 WeakPolarHBondContact O-CB 3.46Å; A702-L709 PolarHBondContact O-N 3.3Å; S705-L709 PolarHBondContact O-N 3.36Å; L709-R711 PolarHBondContact O-N 2.87Å; L709-E712 WeakPolarHBondContact O-CB 3.43Å; L709-E712 PolarHBondContact O-N 3.05Å; L709-E712 VanDerWaalsContact O-N 3.15Å; L709-L713 PolarHBondContact O-N 3.5Å; L709-F807 HydrophobicContact CD2-CD1 3.49Å; L709-F807 VanDerWaalsContact CD2-CD1 3.49Å; L709-F807 HydrophobicContact CD2-CE1 3.82Å; L709-F807 HydrophobicContact CD2-CG 4.43Å; L709-P808 HydrophobicContact CD1-CG 4.41Å; L709-I810 HydrophobicContact CD1-CD1 3.39Å
710	T	92.6	Very high	92.8	Very high	10 Å²	10	12.7 Å²	12.7	6%	0.061	7%	0.071	C	C	.	.	H	α-helix	trans	-60.7	-37	179.6	-54.2	0	0	0	0	111	V619 R636 S706 T707 L713 W714	V619-T710 HydrophobicContact CB-CG2 4.13Å; V619-T710 HydrophobicContact CG1-CG2 4.28Å; V619-T710 HydrophobicContact CG2-CG2 3.95Å; R636-T710 HydrophobicContact CG-CG2 3.94Å; R636-T710 PolarHBondContact NH1-OG1 3.37Å; S706-T710 WeakPolarHBondContact O-CB 3.31Å; S706-T710 PolarHBondContact O-N 2.89Å; S706-T710 PolarHBondContact O-OG1 2.62Å; T707-T710 PolarHBondContact O-N 2.67Å; T710-L713 WeakPolarHBondContact O-CB 3.27Å; T710-L713 PolarHBondContact O-N 3.38Å; T710-W714 HydrophobicContact CG2-CD2 3.58Å; T710-W714 HydrophobicContact CG2-CE3 3.69Å; T710-W714 HydrophobicContact CG2-CG 4.26Å; T710-W714 HydrophobicContact CG2-CH2 3.96Å; T710-W714 HydrophobicContact CG2-CZ2 3.83Å; T710-W714 HydrophobicContact CG2-CZ3 3.89Å; T710-W714 WeakPolarHBondContact O-CB 3.25Å; T710-W714 PolarHBondContact O-N 3.42Å
711	R	95.2	Very high	92.7	Very high	62 Å²	62	19.2 Å²	19.2	23%	0.234	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-41.4	176.1	-162.8	-167.9	-45.5	173.4	2.9	112.4	V619 T707 L708 L709 L713 W714 S715	V619-R711 HydrophobicContact CG1-CB 4.28Å; T707-R711 PolarHBondContact O-N 3.09Å; L708-R711 WeakPolarHBondContact O-CB 3.02Å; L708-R711 PolarHBondContact O-N 2.62Å; L709-R711 PolarHBondContact O-N 2.87Å; R711-L713 VanDerWaalsContact C-N 3.32Å; R711-W714 PolarHBondContact O-N 3.17Å; R711-S715 PolarHBondContact O-N 3.2Å
712	E	95.1	Very high	92.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-42.8	173.2	174.7	58.1	-159.6	0	0	111.5	C698 R699 A702 L708 L709 W714 G716 M717 E718	C698-E712 VanDerWaalsContact SG-CA 3.55Å; C698-E712 PolarHBondContact SG-OE2 3.18Å; R699-E712 VanDerWaalsContact CA-OE2 3.26Å; R699-E712 WeakPolarHBondContact CA-OE2 3.35Å; R699-E712 PolarHBondContact N-OE2 2.84Å; R699-E712 VanDerWaalsContact N-OE2 3.08Å; A702-E712 HydrophobicContact CB-CB 3.64Å; A702-E712 HydrophobicContact CB-CG 3.85Å; L708-E712 PolarHBondContact O-N 2.75Å; L708-E712 VanDerWaalsContact O-N 3.08Å; L709-E712 WeakPolarHBondContact O-CB 3.43Å; L709-E712 PolarHBondContact O-N 3.05Å; L709-E712 VanDerWaalsContact O-N 3.15Å; E712-W714 VanDerWaalsContact C-N 3.26Å; E712-W714 PolarHBondContact O-N 3.39Å; E712-G716 VanDerWaalsContact O-CA 3.25Å; E712-G716 WeakPolarHBondContact O-CA 3.33Å; E712-G716 PolarHBondContact O-N 3.06Å; E712-G716 WeakPolarHBondContact OE2-CA 3.26Å; E712-M717 PolarHBondContact OE1-N 3.21Å; E712-E718 HydrophobicContact CG-CB 4.26Å; E712-E718 HydrophobicContact CG-CG 3.91Å; E712-E718 PolarHBondContact OE1-N 3.46Å
713	L	93.1	Very high	92.6	Very high	18 Å²	18	20.7 Å²	20.7	9%	0.094	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-29.7	176.4	-176.2	62.2	0	0	0	112.8	Y576 L579 L709 T710 R711 Q719 I722	Y576-L713 HydrophobicContact CE2-CD2 4.31Å; L579-L713 HydrophobicContact CB-CD2 4.46Å; L709-L713 PolarHBondContact O-N 3.5Å; T710-L713 WeakPolarHBondContact O-CB 3.27Å; T710-L713 PolarHBondContact O-N 3.38Å; R711-L713 VanDerWaalsContact C-N 3.32Å; L713-Q719 WeakPolarHBondContact O-CB 3.45Å; L713-Q719 PolarHBondContact O-OE1 3.21Å; L713-I722 HydrophobicContact CD1-CD1 3.8Å
714	W	96.2	Very high	93	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-103.1	-21	-173.8	-70.9	-9.3	0	0	0	115.5	L571 L579 V582 P583 P617 F618 V619 R636 T710 R711 E712	L571-W714 HydrophobicContact CD1-CH2 4.04Å; L571-W714 HydrophobicContact CD1-CZ2 4.15Å; L579-W714 HydrophobicContact CD2-CZ2 3.94Å; L579-W714 PolarHBondContact O-NE1 3.11Å; V582-W714 HydrophobicContact CB-CZ2 4.09Å; V582-W714 HydrophobicContact CG1-CH2 4.48Å; V582-W714 HydrophobicContact CG1-CZ2 4.07Å; V582-W714 HydrophobicContact CG2-CZ2 4.18Å; P583-W714 HydrophobicContact CG-CB 3.82Å; P583-W714 HydrophobicContact CG-CG 3.84Å; P617-W714 HydrophobicContact CB-CB 4.24Å; P617-W714 HydrophobicContact CB-CD2 3.82Å; P617-W714 HydrophobicContact CB-CE3 3.58Å; P617-W714 HydrophobicContact CB-CG 4.14Å; P617-W714 HydrophobicContact CB-CZ3 4.09Å; P617-W714 HydrophobicContact CG-CB 4.41Å; F618-W714 WeakPolarHBondContact O-CZ3 3.4Å; V619-W714 HydrophobicContact CB-CE3 4.06Å; V619-W714 HydrophobicContact CB-CZ3 3.73Å; V619-W714 HydrophobicContact CG1-CE3 4.22Å; V619-W714 HydrophobicContact CG1-CZ3 4.4Å; R636-W714 HydrophobicContact CB-CH2 3.82Å; R636-W714 HydrophobicContact CB-CZ2 4.49Å; R636-W714 HydrophobicContact CG-CH2 3.96Å; R636-W714 HydrophobicContact CG-CZ2 4.46Å; T710-W714 HydrophobicContact CG2-CD2 3.58Å; T710-W714 HydrophobicContact CG2-CE3 3.69Å; T710-W714 HydrophobicContact CG2-CG 4.26Å; T710-W714 HydrophobicContact CG2-CH2 3.96Å; T710-W714 HydrophobicContact CG2-CZ2 3.83Å; T710-W714 HydrophobicContact CG2-CZ3 3.89Å; T710-W714 WeakPolarHBondContact O-CB 3.25Å; T710-W714 PolarHBondContact O-N 3.42Å; R711-W714 PolarHBondContact O-N 3.17Å; E712-W714 VanDerWaalsContact C-N 3.26Å; E712-W714 PolarHBondContact O-N 3.39Å
715	S	95.9	Very high	93.1	Very high	62 Å²	62	23.2 Å²	23.2	43%	0.434	11%	0.11	S	C	.	.	H	α-helix	trans	-145.6	4.9	-171.8	-50.3	0	0	0	0	113.3	R711	R711-S715 PolarHBondContact O-N 3.2Å
716	G	95.8	Very high	93.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-104.3	-164.6	-176.1	0	0	0	0	0	114.3	E712 E718 Q719 A720	E712-G716 VanDerWaalsContact O-CA 3.25Å; E712-G716 WeakPolarHBondContact O-CA 3.33Å; E712-G716 PolarHBondContact O-N 3.06Å; E712-G716 WeakPolarHBondContact OE2-CA 3.26Å; G716-E718 VanDerWaalsContact C-N 3.27Å; G716-E718 PolarHBondContact O-N 3.48Å; G716-Q719 PolarHBondContact O-N 3.41Å; G716-A720 PolarHBondContact O-N 3.35Å
717	M	94.2	Very high	93.6	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-30.8	179.8	-69.6	-60.6	-64.9	0	0	111.8	I688 F695 E712 A720 R721 F816 M818 I984 M1010	I688-M717 HydrophobicContact CD1-SD 4.4Å; I688-M717 HydrophobicContact CG2-SD 4.33Å; F695-M717 HydrophobicContact CB-CG 4.17Å; F695-M717 HydrophobicContact CB-SD 3.98Å; F695-M717 HydrophobicContact CD1-CG 4.23Å; F695-M717 HydrophobicContact CD1-SD 3.81Å; F695-M717 HydrophobicContact CG-SD 4.13Å; E712-M717 PolarHBondContact OE1-N 3.21Å; M717-A720 PolarHBondContact O-N 2.87Å; M717-R721 PolarHBondContact O-N 3.46Å; M717-F816 HydrophobicContact CB-CD1 4.48Å; M717-F816 HydrophobicContact CB-CE1 3.77Å; M717-F816 HydrophobicContact CB-CE2 4.42Å; M717-F816 HydrophobicContact CB-CZ 3.73Å; M717-F816 HydrophobicContact CE-CB 4.39Å; M717-F816 HydrophobicContact CE-CD1 3.63Å; M717-F816 HydrophobicContact CE-CE1 4.05Å; M717-F816 HydrophobicContact CE-CG 4.02Å; M717-F816 HydrophobicContact CG-CD1 4.39Å; M717-F816 HydrophobicContact CG-CD2 4.44Å; M717-F816 HydrophobicContact CG-CE1 4.07Å; M717-F816 HydrophobicContact CG-CE2 4.13Å; M717-F816 HydrophobicContact CG-CZ 3.92Å; M717-M818 HydrophobicContact CE-SD 4.49Å; M717-I984 HydrophobicContact CG-CD1 4.4Å; M717-I984 HydrophobicContact SD-CD1 4.16Å; M717-M1010 HydrophobicContact CE-CE 3.9Å; M717-M1010 HydrophobicContact CE-CG 4.26Å; M717-M1010 HydrophobicContact CE-SD 3.97Å
718	E	92.2	Very high	93.5	Very high	28 Å²	28	24 Å²	24	13%	0.131	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-41.4	173.1	-69.3	-57.8	154.4	0	0	112.5	R699 E712 G716 R721 I722	R699-E718 IonicContact CZ-OE1 3.65Å; R699-E718 VanDerWaalsContact NH1-CG 3.32Å; R699-E718 IonicContact NH1-OE1 3.75Å; R699-E718 PolarHBondContact NH1-OE1 3Å; R699-E718 IonicContact NH2-OE1 2.67Å; R699-E718 PolarHBondContact NH2-OE1 2.95Å; E712-E718 HydrophobicContact CG-CB 4.26Å; E712-E718 HydrophobicContact CG-CG 3.91Å; E712-E718 PolarHBondContact OE1-N 3.46Å; G716-E718 VanDerWaalsContact C-N 3.27Å; G716-E718 PolarHBondContact O-N 3.48Å; E718-R721 PolarHBondContact O-N 3.29Å; E718-R721 IonicContact OE2-CZ 3.46Å; E718-R721 VanDerWaalsContact OE2-CZ 3.29Å; E718-R721 IonicContact OE2-NE 3.33Å; E718-R721 PolarHBondContact OE2-NE 3.12Å; E718-R721 VanDerWaalsContact OE2-NE 3.12Å; E718-R721 IonicContact OE2-NH2 3.49Å; E718-R721 PolarHBondContact OE2-NH2 3.41Å; E718-I722 WeakPolarHBondContact O-CG1 3.45Å; E718-I722 PolarHBondContact O-N 2.89Å
719	Q	94.3	Very high	93.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-65	-41.6	176.1	-174.9	55.8	24.4	0	0	111.4	P583 W683 L713 G716 R721 I722 M723	P583-Q719 HydrophobicContact CB-CG 4.38Å; P583-Q719 HydrophobicContact CG-CG 4.36Å; W683-Q719 HydrophobicContact CE3-CG 4.43Å; W683-Q719 HydrophobicContact CH2-CB 3.8Å; W683-Q719 HydrophobicContact CH2-CG 3.31Å; W683-Q719 HydrophobicContact CZ2-CB 4.47Å; W683-Q719 HydrophobicContact CZ2-CG 3.53Å; W683-Q719 HydrophobicContact CZ3-CB 3.87Å; W683-Q719 HydrophobicContact CZ3-CG 3.81Å; L713-Q719 WeakPolarHBondContact O-CB 3.45Å; L713-Q719 PolarHBondContact O-OE1 3.21Å; G716-Q719 PolarHBondContact O-N 3.41Å; Q719-R721 VanDerWaalsContact C-N 3.3Å; Q719-R721 PolarHBondContact O-N 2.88Å; Q719-I722 PolarHBondContact O-N 3.47Å; Q719-M723 HydrophobicContact CG-CG 4.44Å; Q719-M723 WeakPolarHBondContact O-CG 3.45Å; Q719-M723 PolarHBondContact O-N 2.95Å
720	A	94.3	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.4	-45.7	175.8	0	0	0	0	0	111.2	M285 W683 I688 G716 M717 I722 M723 Q724 M1010	M285-A720 HydrophobicContact CE-CB 3.95Å; W683-A720 HydrophobicContact CB-CB 4.46Å; W683-A720 HydrophobicContact CE3-CB 3.66Å; W683-A720 HydrophobicContact CZ3-CB 4.36Å; I688-A720 HydrophobicContact CD1-CB 4.05Å; G716-A720 PolarHBondContact O-N 3.35Å; M717-A720 PolarHBondContact O-N 2.87Å; A720-I722 PolarHBondContact O-N 3.48Å; A720-M723 PolarHBondContact O-N 2.95Å; A720-Q724 WeakPolarHBondContact O-CG 3.06Å; A720-Q724 PolarHBondContact O-N 2.77Å; A720-M1010 HydrophobicContact CB-CE 4.48Å
721	R	91.8	Very high	92.6	Very high	138 Å²	138	27.9 Å²	27.9	52%	0.521	14%	0.144	S	C	.	.	H	α-helix	trans	-61.4	-42.9	176.5	-172.2	176.2	66.8	119.2	-0.8	112.6	M717 E718 Q719 Q724 H725 M1010	M717-R721 PolarHBondContact O-N 3.46Å; E718-R721 PolarHBondContact O-N 3.29Å; E718-R721 IonicContact OE2-CZ 3.46Å; E718-R721 VanDerWaalsContact OE2-CZ 3.29Å; E718-R721 IonicContact OE2-NE 3.33Å; E718-R721 PolarHBondContact OE2-NE 3.12Å; E718-R721 VanDerWaalsContact OE2-NE 3.12Å; E718-R721 IonicContact OE2-NH2 3.49Å; E718-R721 PolarHBondContact OE2-NH2 3.41Å; Q719-R721 VanDerWaalsContact C-N 3.3Å; Q719-R721 PolarHBondContact O-N 2.88Å; R721-Q724 PolarHBondContact O-N 3.35Å; R721-H725 VanDerWaalsContact O-CB 3.32Å; R721-H725 WeakPolarHBondContact O-CB 3.47Å; R721-H725 PolarHBondContact O-N 3.23Å; R721-M1010 HydrophobicContact CB-CE 4.07Å
722	I	92.5	Very high	91.1	Very high	32 Å²	32	28.7 Å²	28.7	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-47.1	176.4	-70.4	162.9	0	0	0	110.3	L713 E718 Q719 A720 H725 I726	L713-I722 HydrophobicContact CD1-CD1 3.8Å; E718-I722 WeakPolarHBondContact O-CG1 3.45Å; E718-I722 PolarHBondContact O-N 2.89Å; Q719-I722 PolarHBondContact O-N 3.47Å; A720-I722 PolarHBondContact O-N 3.48Å; I722-H725 PolarHBondContact O-N 2.9Å; I722-I726 HydrophobicContact CG2-CD1 3.71Å; I722-I726 HydrophobicContact CG2-CG1 4.39Å; I722-I726 VanDerWaalsContact O-CG1 3.29Å; I722-I726 WeakPolarHBondContact O-CG1 3.45Å; I722-I726 PolarHBondContact O-N 3.42Å
723	M	94.4	Very high	89.6	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-43	-179.3	-71.4	-59.7	-56.2	0	0	112.3	L584 I675 W683 Q719 A720 I726 A727	L584-M723 HydrophobicContact CB-SD 4.23Å; L584-M723 HydrophobicContact CD1-CE 4.12Å; L584-M723 HydrophobicContact CD1-SD 4.28Å; I675-M723 HydrophobicContact CG2-CE 4.4Å; W683-M723 HydrophobicContact CB-CB 4.13Å; W683-M723 HydrophobicContact CD2-CB 4.4Å; W683-M723 HydrophobicContact CD2-CG 4.16Å; W683-M723 HydrophobicContact CG-CB 3.78Å; W683-M723 HydrophobicContact CG-CG 3.94Å; Q719-M723 HydrophobicContact CG-CG 4.44Å; Q719-M723 WeakPolarHBondContact O-CG 3.45Å; Q719-M723 PolarHBondContact O-N 2.95Å; A720-M723 PolarHBondContact O-N 2.95Å; M723-I726 PolarHBondContact O-N 3.44Å; M723-A727 VanDerWaalsContact O-CB 3.32Å; M723-A727 WeakPolarHBondContact O-CB 3.3Å; M723-A727 PolarHBondContact O-N 3.29Å
724	Q	93.4	Very high	88.3	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-40	175.2	-63.1	-51.4	-12.4	0	0	112.4	M285 P287 A679 W683 A720 R721 A727 S728 V1012	M285-Q724 HydrophobicContact CB-CG 4.4Å; M285-Q724 HydrophobicContact CE-CG 3.9Å; M285-Q724 WeakPolarHBondContact O-CG 3.5Å; M285-Q724 PolarHBondContact O-OE1 3.4Å; P287-Q724 VanDerWaalsContact CG-OE1 3.31Å; A679-Q724 PolarHBondContact O-NE2 3.08Å; W683-Q724 VanDerWaalsContact C-NE2 3.33Å; W683-Q724 PolarHBondContact O-NE2 3.47Å; A720-Q724 WeakPolarHBondContact O-CG 3.06Å; A720-Q724 PolarHBondContact O-N 2.77Å; R721-Q724 PolarHBondContact O-N 3.35Å; Q724-A727 PolarHBondContact O-N 3.03Å; Q724-S728 WeakPolarHBondContact O-CB 3.34Å; Q724-S728 PolarHBondContact O-N 3.38Å; Q724-V1012 HydrophobicContact CB-CG2 4.29Å
725	H	91.8	Very high	87.2	Confident	97 Å²	97	47.1 Å²	47.1	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-50.8	175.9	-179.3	62.2	0	0	0	111.6	R721 I722 A727 S728 E729	R721-H725 VanDerWaalsContact O-CB 3.32Å; R721-H725 WeakPolarHBondContact O-CB 3.47Å; R721-H725 PolarHBondContact O-N 3.23Å; I722-H725 PolarHBondContact O-N 2.9Å; H725-A727 VanDerWaalsContact C-N 3.33Å; H725-A727 PolarHBondContact O-N 2.97Å; H725-S728 WeakPolarHBondContact O-CB 3.1Å; H725-S728 PolarHBondContact O-N 2.85Å; H725-S728 VanDerWaalsContact O-N 3.14Å; H725-S728 PolarHBondContact O-OG 2.81Å; H725-E729 IonicContact CE1-OE1 3.76Å; H725-E729 IonicContact NE2-OE1 2.93Å; H725-E729 IonicContact NE2-OE2 3.11Å; H725-E729 PolarHBondContact O-N 3.38Å
726	I	92.9	Very high	86.4	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-46	177.4	-69.5	171.8	0	0	0	110.7	Y581 L584 I675 I722 M723 S728 E729 I730 I744	Y581-I726 HydrophobicContact CD1-CD1 4.28Å; Y581-I726 HydrophobicContact CE1-CD1 3.71Å; L584-I726 HydrophobicContact CD2-CD1 3.9Å; I675-I726 HydrophobicContact CG2-CG2 3.81Å; I722-I726 HydrophobicContact CG2-CD1 3.71Å; I722-I726 HydrophobicContact CG2-CG1 4.39Å; I722-I726 VanDerWaalsContact O-CG1 3.29Å; I722-I726 WeakPolarHBondContact O-CG1 3.45Å; I722-I726 PolarHBondContact O-N 3.42Å; M723-I726 PolarHBondContact O-N 3.44Å; I726-S728 VanDerWaalsContact C-N 3.31Å; I726-S728 PolarHBondContact O-N 2.92Å; I726-E729 PolarHBondContact O-N 2.98Å; I726-I730 HydrophobicContact CG2-CD1 3.86Å; I726-I730 WeakPolarHBondContact O-CG1 3.45Å; I726-I730 PolarHBondContact O-N 3.08Å; I726-I744 HydrophobicContact CG2-CD1 3.65Å
727	A	93.1	Very high	86	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-38.4	178.1	0	0	0	0	0	112.2	P287 H288 Q676 A679 M723 Q724 H725 I730 G731	P287-A727 HydrophobicContact CB-CB 4.38Å; P287-A727 HydrophobicContact CG-CB 3.82Å; H288-A727 PolarHBondContact CE1-O 2.93Å; Q676-A727 PolarHBondContact NE2-O 2.84Å; A679-A727 HydrophobicContact CB-CB 3.47Å; A679-A727 VanDerWaalsContact CB-CB 3.47Å; M723-A727 VanDerWaalsContact O-CB 3.32Å; M723-A727 WeakPolarHBondContact O-CB 3.3Å; M723-A727 PolarHBondContact O-N 3.29Å; Q724-A727 PolarHBondContact O-N 3.03Å; H725-A727 VanDerWaalsContact C-N 3.33Å; H725-A727 PolarHBondContact O-N 2.97Å; A727-I730 PolarHBondContact O-N 2.95Å; A727-G731 PolarHBondContact O-N 2.85Å
728	S	90.7	Very high	85.6	Confident	22 Å²	22	55.8 Å²	55.8	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-41.7	174.9	86.2	0	0	0	0	112.3	Q724 H725 I726 I730 G731 L732	Q724-S728 WeakPolarHBondContact O-CB 3.34Å; Q724-S728 PolarHBondContact O-N 3.38Å; H725-S728 WeakPolarHBondContact O-CB 3.1Å; H725-S728 PolarHBondContact O-N 2.85Å; H725-S728 VanDerWaalsContact O-N 3.14Å; H725-S728 PolarHBondContact O-OG 2.81Å; I726-S728 VanDerWaalsContact C-N 3.31Å; I726-S728 PolarHBondContact O-N 2.92Å; S728-I730 VanDerWaalsContact C-N 3.33Å; S728-I730 PolarHBondContact O-N 3.38Å; S728-G731 PolarHBondContact O-N 3.44Å; S728-G731 VanDerWaalsContact O-N 3.14Å; S728-L732 PolarHBondContact O-N 3.09Å
729	E	89.9	Confident	85.5	Confident	62 Å²	62	59.9 Å²	59.9	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-35.7	-179.6	-69.2	-161.3	127.2	0	0	111.7	H725 I726 G731 L732 V740	H725-E729 IonicContact CE1-OE1 3.76Å; H725-E729 IonicContact NE2-OE1 2.93Å; H725-E729 IonicContact NE2-OE2 3.11Å; H725-E729 PolarHBondContact O-N 3.38Å; I726-E729 PolarHBondContact O-N 2.98Å; E729-G731 VanDerWaalsContact C-N 3.32Å; E729-L732 HydrophobicContact CB-CD1 4.44Å; E729-L732 WeakPolarHBondContact O-CB 3.21Å; E729-L732 WeakPolarHBondContact O-CD1 3Å; E729-L732 VanDerWaalsContact O-CG 3.3Å; E729-L732 WeakPolarHBondContact O-CG 3.18Å; E729-L732 PolarHBondContact O-N 2.99Å; E729-V740 HydrophobicContact CB-CG1 3.74Å; E729-V740 HydrophobicContact CB-CG2 4.01Å
730	I	88.4	Confident	85.4	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-31.7	173.9	-66.7	168.5	0	0	0	111.4	S672 I675 I726 A727 S728 L732 R737 V740 L741 I744	S672-I730 WeakPolarHBondContact OG-CG2 3.4Å; I675-I730 HydrophobicContact CB-CD1 3.98Å; I675-I730 HydrophobicContact CD1-CD1 3.67Å; I675-I730 HydrophobicContact CG1-CD1 4.4Å; I675-I730 HydrophobicContact CG2-CD1 3.56Å; I726-I730 HydrophobicContact CG2-CD1 3.86Å; I726-I730 WeakPolarHBondContact O-CG1 3.45Å; I726-I730 PolarHBondContact O-N 3.08Å; A727-I730 PolarHBondContact O-N 2.95Å; S728-I730 VanDerWaalsContact C-N 3.33Å; S728-I730 PolarHBondContact O-N 3.38Å; I730-L732 PolarHBondContact O-N 3.1Å; I730-R737 WeakPolarHBondContact O-CD 3.4Å; I730-R737 WeakPolarHBondContact O-CG 3.33Å; I730-V740 HydrophobicContact CG1-CG1 4.09Å; I730-L741 HydrophobicContact CD1-CD2 3.83Å; I730-L741 HydrophobicContact CG1-CD2 3.88Å; I730-L741 HydrophobicContact CG1-CG 4.41Å; I730-L741 HydrophobicContact CG2-CD2 4.47Å; I730-I744 HydrophobicContact CD1-CD1 4.1Å; I730-I744 HydrophobicContact CG1-CD1 4.39Å
731	G	80	Confident	85.3	Confident	43 Å²	43	60.7 Å²	60.7	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.6	176.2	0	0	0	0	0	115.3	A727 S728 E729	A727-G731 PolarHBondContact O-N 2.85Å; S728-G731 PolarHBondContact O-N 3.44Å; S728-G731 VanDerWaalsContact O-N 3.14Å; E729-G731 VanDerWaalsContact C-N 3.32Å
732	L	63.1	Low	85.4	Confident	79 Å²	79	56.4 Å²	56.4	41%	0.414	30%	0.303	S	S	.	.	S	Bend	trans	-61.1	159.7	177.7	-63.3	174.3	0	0	0	111.6	S728 E729 I730 K736	S728-L732 PolarHBondContact O-N 3.09Å; E729-L732 HydrophobicContact CB-CD1 4.44Å; E729-L732 WeakPolarHBondContact O-CB 3.21Å; E729-L732 WeakPolarHBondContact O-CD1 3Å; E729-L732 VanDerWaalsContact O-CG 3.3Å; E729-L732 WeakPolarHBondContact O-CG 3.18Å; E729-L732 PolarHBondContact O-N 2.99Å; I730-L732 PolarHBondContact O-N 3.1Å; L732-K736 HydrophobicContact CB-CB 4.43Å; L732-K736 HydrophobicContact CD1-CB 4.39Å; L732-K736 HydrophobicContact CD1-CD 4.18Å
733	K	63	Low	85.4	Confident	184 Å²	184	58.3 Å²	58.3	80%	0.8	31%	0.314	S	S	*	.			trans	-48.2	148.4	173.9	-65.4	-176.6	179.3	-178.8	0	111.5	D735 K736	K733-D735 PolarHBondContact O-N 2.96Å; K733-K736 PolarHBondContact O-N 2.66Å; K733-K736 VanDerWaalsContact O-N 3.11Å
734	S	67.3	Low	85.4	Confident	89 Å²	89	58.5 Å²	58.5	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-40.1	-42.4	-171.9	53.3	0	0	0	0	115.3	K736 R737	S734-K736 VanDerWaalsContact C-N 3.28Å; S734-K736 PolarHBondContact O-N 3.49Å; S734-R737 PolarHBondContact O-N 3.32Å
735	D	71.6	Confident	85.5	Confident	136 Å²	136	58.6 Å²	58.6	73%	0.727	32%	0.315	S	S	*	.	H	α-helix	trans	-64.6	-29	-170.7	-56.3	-9.8	0	0	0	113.4	K733	K733-D735 PolarHBondContact O-N 2.96Å
736	K	79.8	Confident	85.7	Confident	135 Å²	135	56.5 Å²	56.5	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-95.8	-25.1	177.1	-69.6	-171.7	176.9	-172.9	0	113.5	L732 K733 S734 S738 D739 V740	L732-K736 HydrophobicContact CB-CB 4.43Å; L732-K736 HydrophobicContact CD1-CB 4.39Å; L732-K736 HydrophobicContact CD1-CD 4.18Å; K733-K736 PolarHBondContact O-N 2.66Å; K733-K736 VanDerWaalsContact O-N 3.11Å; S734-K736 VanDerWaalsContact C-N 3.28Å; S734-K736 PolarHBondContact O-N 3.49Å; K736-S738 VanDerWaalsContact C-N 3.3Å; K736-S738 PolarHBondContact O-N 3.25Å; K736-D739 PolarHBondContact O-N 3.23Å; K736-V740 WeakPolarHBondContact O-CG2 3.47Å; K736-V740 PolarHBondContact O-N 2.9Å
737	R	86.9	Confident	85.8	Confident	57 Å²	57	57.5 Å²	57.5	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-57.1	-44.7	-177.5	-179.3	178.1	-178.9	-138.4	2.8	111.5	E669 S672 I730 S734 D739 V740 L741	E669-R737 IonicContact OE1-CZ 3.66Å; E669-R737 IonicContact OE1-NH1 3.49Å; E669-R737 PolarHBondContact OE1-NH1 3.38Å; E669-R737 IonicContact OE1-NH2 3Å; E669-R737 PolarHBondContact OE1-NH2 3.4Å; E669-R737 IonicContact OE2-CZ 3.12Å; E669-R737 IonicContact OE2-NH1 2.7Å; E669-R737 PolarHBondContact OE2-NH1 3.11Å; E669-R737 IonicContact OE2-NH2 3.28Å; E669-R737 PolarHBondContact OE2-NH2 2.96Å; S672-R737 PolarHBondContact OG-NH2 3.06Å; I730-R737 WeakPolarHBondContact O-CD 3.4Å; I730-R737 WeakPolarHBondContact O-CG 3.33Å; S734-R737 PolarHBondContact O-N 3.32Å; R737-D739 PolarHBondContact O-N 3.08Å; R737-V740 PolarHBondContact O-N 3.39Å; R737-L741 HydrophobicContact CG-CD1 3.82Å; R737-L741 HydrophobicContact CG-CG 4.42Å; R737-L741 WeakPolarHBondContact O-CB 3.35Å; R737-L741 WeakPolarHBondContact O-CG 3.23Å; R737-L741 PolarHBondContact O-N 2.78Å
738	S	87	Confident	86	Confident	54 Å²	54	57.5 Å²	57.5	38%	0.378	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-41.6	178.6	179.8	0	0	0	0	112.4	K736 S742	K736-S738 VanDerWaalsContact C-N 3.3Å; K736-S738 PolarHBondContact O-N 3.25Å; S738-S742 VanDerWaalsContact O-CB 3.24Å; S738-S742 WeakPolarHBondContact O-CB 3.22Å; S738-S742 PolarHBondContact O-N 2.79Å; S738-S742 PolarHBondContact O-OG 2.86Å
739	D	89.8	Confident	86.2	Confident	115 Å²	115	59.6 Å²	59.6	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-67.8	-43.4	179.4	-71	-16.7	0	0	0	111.4	K736 R737 S742 N743	K736-D739 PolarHBondContact O-N 3.23Å; R737-D739 PolarHBondContact O-N 3.08Å; D739-S742 PolarHBondContact O-N 3.09Å; D739-N743 VanDerWaalsContact O-CB 3.23Å; D739-N743 WeakPolarHBondContact O-CB 3.35Å; D739-N743 PolarHBondContact O-N 3.24Å
740	V	91	Very high	86.5	Confident	16 Å²	16	57.2 Å²	57.2	10%	0.097	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-50.9	176.5	171.9	0	0	0	0	110.5	E729 I730 K736 R737 S742 N743 I744	E729-V740 HydrophobicContact CB-CG1 3.74Å; E729-V740 HydrophobicContact CB-CG2 4.01Å; I730-V740 HydrophobicContact CG1-CG1 4.09Å; K736-V740 WeakPolarHBondContact O-CG2 3.47Å; K736-V740 PolarHBondContact O-N 2.9Å; R737-V740 PolarHBondContact O-N 3.39Å; V740-S742 PolarHBondContact O-N 3.41Å; V740-N743 WeakPolarHBondContact O-CB 3.49Å; V740-N743 PolarHBondContact O-N 2.92Å; V740-I744 HydrophobicContact CG1-CD1 3.94Å; V740-I744 WeakPolarHBondContact O-CG1 3.32Å; V740-I744 PolarHBondContact O-N 3.49Å
741	L	93.3	Very high	86.8	Confident	1 Å²	1	57 Å²	57	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-42	178.9	-72.3	172.4	0	0	0	111.5	Q668 I730 R737 N743 I744 I745	Q668-L741 HydrophobicContact CB-CD1 3.98Å; Q668-L741 HydrophobicContact CG-CB 4.29Å; Q668-L741 HydrophobicContact CG-CD1 4.41Å; I730-L741 HydrophobicContact CD1-CD2 3.83Å; I730-L741 HydrophobicContact CG1-CD2 3.88Å; I730-L741 HydrophobicContact CG1-CG 4.41Å; I730-L741 HydrophobicContact CG2-CD2 4.47Å; R737-L741 HydrophobicContact CG-CD1 3.82Å; R737-L741 HydrophobicContact CG-CG 4.42Å; R737-L741 WeakPolarHBondContact O-CB 3.35Å; R737-L741 WeakPolarHBondContact O-CG 3.23Å; R737-L741 PolarHBondContact O-N 2.78Å; L741-N743 VanDerWaalsContact C-N 3.29Å; L741-N743 PolarHBondContact O-N 3.19Å; L741-I744 PolarHBondContact O-N 2.91Å; L741-I745 WeakPolarHBondContact O-CB 3.41Å; L741-I745 WeakPolarHBondContact O-CD1 3.37Å; L741-I745 WeakPolarHBondContact O-CG1 3.39Å; L741-I745 PolarHBondContact O-N 3.3Å
742	S	93.1	Very high	87.5	Confident	48 Å²	48	56.2 Å²	56.2	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-41.9	175.6	-60.8	0	0	0	0	111.5	S738 D739 V740 I745 E746	S738-S742 VanDerWaalsContact O-CB 3.24Å; S738-S742 WeakPolarHBondContact O-CB 3.22Å; S738-S742 PolarHBondContact O-N 2.79Å; S738-S742 PolarHBondContact O-OG 2.86Å; D739-S742 PolarHBondContact O-N 3.09Å; V740-S742 PolarHBondContact O-N 3.41Å; S742-I745 PolarHBondContact O-N 2.92Å; S742-E746 WeakPolarHBondContact O-CG 3.32Å; S742-E746 PolarHBondContact O-N 3.39Å
743	N	92.7	Very high	88.8	Confident	72 Å²	72	53.5 Å²	53.5	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-66.9	-35.9	177.8	-175.6	50.5	0	0	0	112.7	D739 V740 L741 R747	D739-N743 VanDerWaalsContact O-CB 3.23Å; D739-N743 WeakPolarHBondContact O-CB 3.35Å; D739-N743 PolarHBondContact O-N 3.24Å; V740-N743 WeakPolarHBondContact O-CB 3.49Å; V740-N743 PolarHBondContact O-N 2.92Å; L741-N743 VanDerWaalsContact C-N 3.29Å; L741-N743 PolarHBondContact O-N 3.19Å; N743-R747 PolarHBondContact ND2-NH1 3.33Å; N743-R747 PolarHBondContact O-N 2.74Å; N743-R747 PolarHBondContact O-NH1 3.41Å; N743-R747 PolarHBondContact OD1-NH1 2.85Å
744	I	94.3	Very high	90.2	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-47.9	171.9	-67.5	164.4	0	0	0	110	L584 I675 I726 I730 V740 L741 E746 R747 M748	L584-I744 HydrophobicContact CD2-CG2 4.1Å; I675-I744 HydrophobicContact CD1-CD1 4.45Å; I675-I744 HydrophobicContact CD1-CG2 4.45Å; I726-I744 HydrophobicContact CG2-CD1 3.65Å; I730-I744 HydrophobicContact CD1-CD1 4.1Å; I730-I744 HydrophobicContact CG1-CD1 4.39Å; V740-I744 HydrophobicContact CG1-CD1 3.94Å; V740-I744 WeakPolarHBondContact O-CG1 3.32Å; V740-I744 PolarHBondContact O-N 3.49Å; L741-I744 PolarHBondContact O-N 2.91Å; I744-E746 VanDerWaalsContact C-N 3.29Å; I744-E746 PolarHBondContact O-N 3.18Å; I744-R747 WeakPolarHBondContact O-CA 3.45Å; I744-R747 WeakPolarHBondContact O-CB 3.41Å; I744-R747 PolarHBondContact O-N 3.28Å; I744-M748 HydrophobicContact CG2-CG 4.14Å; I744-M748 WeakPolarHBondContact O-CG 3.36Å; I744-M748 PolarHBondContact O-N 3.45Å
745	I	96	Very high	91.3	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-54.7	-44.2	178.4	-74.1	163.5	0	0	0	111.3	W665 Q668 L671 L741 S742 R747 M748 K749	W665-I745 HydrophobicContact CB-CG2 4.07Å; W665-I745 WeakPolarHBondContact O-CD1 3.2Å; W665-I745 WeakPolarHBondContact O-CG1 3.4Å; Q668-I745 HydrophobicContact CG-CD1 3.81Å; L671-I745 HydrophobicContact CD1-CD1 3.8Å; L671-I745 HydrophobicContact CD1-CG1 3.43Å; L671-I745 VanDerWaalsContact CD1-CG1 3.43Å; L741-I745 WeakPolarHBondContact O-CB 3.41Å; L741-I745 WeakPolarHBondContact O-CD1 3.37Å; L741-I745 WeakPolarHBondContact O-CG1 3.39Å; L741-I745 PolarHBondContact O-N 3.3Å; S742-I745 PolarHBondContact O-N 2.92Å; I745-R747 VanDerWaalsContact C-N 3.32Å; I745-R747 PolarHBondContact O-N 2.65Å; I745-M748 PolarHBondContact O-N 3.05Å; I745-K749 HydrophobicContact CG2-CD 4.01Å; I745-K749 HydrophobicContact CG2-CG 4.38Å; I745-K749 WeakPolarHBondContact O-CB 3.28Å; I745-K749 WeakPolarHBondContact O-CG 3.21Å; I745-K749 PolarHBondContact O-N 2.62Å
746	E	95.8	Very high	92.1	Very high	52 Å²	52	37 Å²	37	24%	0.243	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-36.3	177.6	-73.4	-55.8	129.8	0	0	112.6	S742 I744 K749 A750	S742-E746 WeakPolarHBondContact O-CG 3.32Å; S742-E746 PolarHBondContact O-N 3.39Å; I744-E746 VanDerWaalsContact C-N 3.29Å; I744-E746 PolarHBondContact O-N 3.18Å; E746-K749 IonicContact OE1-NZ 3.47Å; E746-A750 WeakPolarHBondContact O-CB 3.34Å; E746-A750 PolarHBondContact O-N 3.12Å
747	R	95.6	Very high	92.2	Very high	24 Å²	24	32.1 Å²	32.1	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-68.4	-42.1	172.6	-70.5	-176.3	178.7	66.8	3.7	112	E577 L578 N743 I744 I745 A750 I751	E577-R747 IonicContact OE1-CZ 3.21Å; E577-R747 IonicContact OE1-NE 3.63Å; E577-R747 PolarHBondContact OE1-NE 2.91Å; E577-R747 IonicContact OE1-NH2 2.67Å; E577-R747 PolarHBondContact OE1-NH2 3.14Å; L578-R747 HydrophobicContact CD2-CB 3.77Å; L578-R747 HydrophobicContact CD2-CG 3.65Å; N743-R747 PolarHBondContact ND2-NH1 3.33Å; N743-R747 PolarHBondContact O-N 2.74Å; N743-R747 PolarHBondContact O-NH1 3.41Å; N743-R747 PolarHBondContact OD1-NH1 2.85Å; I744-R747 WeakPolarHBondContact O-CA 3.45Å; I744-R747 WeakPolarHBondContact O-CB 3.41Å; I744-R747 PolarHBondContact O-N 3.28Å; I745-R747 VanDerWaalsContact C-N 3.32Å; I745-R747 PolarHBondContact O-N 2.65Å; R747-A750 WeakPolarHBondContact O-CB 3.48Å; R747-A750 PolarHBondContact O-N 3.03Å; R747-I751 WeakPolarHBondContact O-CG1 3.42Å; R747-I751 PolarHBondContact O-N 3.42Å
748	M	96.7	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-46.8	176.7	-64.2	-56.9	97.3	0	0	111.4	Y581 L584 F585 L588 W665 I744 I745 A750 I751 W752	Y581-M748 HydrophobicContact CD1-CE 4.03Å; Y581-M748 HydrophobicContact CG-CE 4.33Å; L584-M748 HydrophobicContact CD2-CE 4.39Å; L584-M748 HydrophobicContact CG-CE 4.36Å; L584-M748 HydrophobicContact CG-SD 4.37Å; F585-M748 WeakPolarHBondContact CA-SD 3.29Å; F585-M748 HydrophobicContact CB-CE 4.2Å; F585-M748 HydrophobicContact CB-SD 3.74Å; F585-M748 HydrophobicContact CD2-SD 4.14Å; F585-M748 HydrophobicContact CG-SD 4.45Å; L588-M748 HydrophobicContact CD1-CG 4.29Å; L588-M748 HydrophobicContact CD1-SD 3.9Å; W665-M748 HydrophobicContact CD2-CB 3.97Å; W665-M748 HydrophobicContact CE3-CB 3.5Å; W665-M748 HydrophobicContact CE3-CG 3.95Å; W665-M748 HydrophobicContact CH2-CB 3.72Å; W665-M748 HydrophobicContact CH2-CG 4.19Å; W665-M748 HydrophobicContact CH2-SD 4.42Å; W665-M748 HydrophobicContact CZ2-CB 4.15Å; W665-M748 HydrophobicContact CZ3-CB 3.37Å; W665-M748 HydrophobicContact CZ3-CG 3.57Å; W665-M748 HydrophobicContact CZ3-SD 4.16Å; I744-M748 HydrophobicContact CG2-CG 4.14Å; I744-M748 WeakPolarHBondContact O-CG 3.36Å; I744-M748 PolarHBondContact O-N 3.45Å; I745-M748 PolarHBondContact O-N 3.05Å; M748-A750 VanDerWaalsContact C-N 3.3Å; M748-A750 PolarHBondContact O-N 3.18Å; M748-I751 HydrophobicContact CE-CD1 4.19Å; M748-I751 PolarHBondContact O-N 3.19Å; M748-W752 WeakPolarHBondContact O-CB 3.39Å; M748-W752 PolarHBondContact O-N 3.22Å
749	K	95.6	Very high	90.7	Very high	66 Å²	66	41.9 Å²	41.9	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-37.4	174.7	-74.6	176	-179.1	171.4	0	112.2	W665 I745 E746 S753	W665-K749 HydrophobicContact CB-CG 4.26Å; W665-K749 HydrophobicContact CG-CG 4Å; I745-K749 HydrophobicContact CG2-CD 4.01Å; I745-K749 HydrophobicContact CG2-CG 4.38Å; I745-K749 WeakPolarHBondContact O-CB 3.28Å; I745-K749 WeakPolarHBondContact O-CG 3.21Å; I745-K749 PolarHBondContact O-N 2.62Å; E746-K749 IonicContact OE1-NZ 3.47Å; K749-S753 WeakPolarHBondContact O-CB 3.38Å; K749-S753 PolarHBondContact O-N 3.04Å
750	A	94.5	Very high	90.6	Very high	11 Å²	11	39.2 Å²	39.2	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-43.5	175.6	0	0	0	0	0	112.2	L578 E746 R747 M748 Y754 T794 L796	L578-A750 HydrophobicContact CD1-CB 3.83Å; L578-A750 HydrophobicContact CD2-CB 4.42Å; E746-A750 WeakPolarHBondContact O-CB 3.34Å; E746-A750 PolarHBondContact O-N 3.12Å; R747-A750 WeakPolarHBondContact O-CB 3.48Å; R747-A750 PolarHBondContact O-N 3.03Å; M748-A750 VanDerWaalsContact C-N 3.3Å; M748-A750 PolarHBondContact O-N 3.18Å; A750-Y754 WeakPolarHBondContact O-CB 3.43Å; A750-Y754 PolarHBondContact O-N 2.94Å; A750-T794 HydrophobicContact CB-CG2 4.19Å; A750-L796 HydrophobicContact CB-CD1 4.06Å
751	I	95.4	Very high	90.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-46	174.6	-64.3	167.9	0	0	0	110.5	L574 L578 V582 F585 I638 R747 M748 Y754 I755	L574-I751 HydrophobicContact CD2-CG1 4.42Å; L578-I751 HydrophobicContact CB-CD1 4.45Å; L578-I751 HydrophobicContact CB-CG1 4.12Å; L578-I751 HydrophobicContact CD1-CG1 4.49Å; V582-I751 HydrophobicContact CG2-CD1 4.45Å; F585-I751 HydrophobicContact CB-CD1 4Å; F585-I751 HydrophobicContact CB-CG2 4.2Å; F585-I751 HydrophobicContact CD1-CG2 3.82Å; F585-I751 HydrophobicContact CD2-CB 3.89Å; F585-I751 HydrophobicContact CD2-CG2 3.73Å; F585-I751 HydrophobicContact CE1-CG2 4.14Å; F585-I751 HydrophobicContact CE2-CB 4.29Å; F585-I751 HydrophobicContact CE2-CG2 4.03Å; F585-I751 HydrophobicContact CG-CB 4.18Å; F585-I751 HydrophobicContact CG-CD1 4.48Å; F585-I751 HydrophobicContact CG-CG2 3.61Å; F585-I751 HydrophobicContact CZ-CG2 4.24Å; I638-I751 HydrophobicContact CD1-CG2 4.15Å; R747-I751 WeakPolarHBondContact O-CG1 3.42Å; R747-I751 PolarHBondContact O-N 3.42Å; M748-I751 HydrophobicContact CE-CD1 4.19Å; M748-I751 PolarHBondContact O-N 3.19Å; I751-Y754 WeakPolarHBondContact O-CB 3.24Å; I751-Y754 PolarHBondContact O-N 2.76Å; I751-I755 PolarHBondContact O-N 3.31Å
752	W	94.7	Very high	90.8	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-57.4	175.8	169.4	60	0	0	0	111.7	F585 F589 F660 P663 W665 M748 Y754 I755 T756 V792	F585-W752 HydrophobicContact CE2-CB 3.87Å; F585-W752 HydrophobicContact CZ-CB 4.36Å; F589-W752 AromaticContact CE2-CD1 3.89Å; F660-W752 WeakPolarHBondContact O-CZ2 3.47Å; F660-W752 PolarHBondContact O-NE1 2.79Å; F660-W752 VanDerWaalsContact O-NE1 3.08Å; P663-W752 VanDerWaalsContact CD-CE2 3.47Å; P663-W752 HydrophobicContact CG-CD2 3.81Å; P663-W752 VanDerWaalsContact CG-CE2 3.49Å; P663-W752 HydrophobicContact CG-CE3 4.44Å; P663-W752 HydrophobicContact CG-CG 4.1Å; P663-W752 HydrophobicContact CG-CH2 4.49Å; P663-W752 HydrophobicContact CG-CZ2 3.89Å; W665-W752 HydrophobicContact CZ2-CB 4.28Å; M748-W752 WeakPolarHBondContact O-CB 3.39Å; M748-W752 PolarHBondContact O-N 3.22Å; W752-Y754 PolarHBondContact O-N 2.78Å; W752-Y754 VanDerWaalsContact O-N 3.17Å; W752-I755 WeakPolarHBondContact O-CG1 3.47Å; W752-I755 PolarHBondContact O-N 3.08Å; W752-T756 HydrophobicContact CG-CG2 4.49Å; W752-T756 WeakPolarHBondContact O-CG2 3.43Å; W752-T756 PolarHBondContact O-N 3.2Å; W752-T756 PolarHBondContact O-OG1 2.98Å; W752-T756 VanDerWaalsContact O-OG1 3.06Å; W752-V792 HydrophobicContact CH2-CG2 3.82Å; W752-V792 HydrophobicContact CZ3-CB 4.41Å; W752-V792 HydrophobicContact CZ3-CG1 4.41Å; W752-V792 HydrophobicContact CZ3-CG2 3.79Å
753	S	91.6	Very high	91	Very high	22 Å²	22	39.5 Å²	39.5	15%	0.154	18%	0.182	C	C	.	.	H	α-helix	trans	-55.1	-37.1	178	-178.4	0	0	0	0	111.5	K749 T756 S757 V792	K749-S753 WeakPolarHBondContact O-CB 3.38Å; K749-S753 PolarHBondContact O-N 3.04Å; S753-T756 WeakPolarHBondContact CA-OG1 3.5Å; S753-T756 PolarHBondContact O-OG1 3.38Å; S753-S757 WeakPolarHBondContact O-CB 3.43Å; S753-S757 PolarHBondContact O-N 3.16Å; S753-V792 PolarHBondContact OG-O 2.81Å
754	Y	91.1	Very high	91.2	Very high	33 Å²	33	36 Å²	36	13%	0.129	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-51.2	175.4	-173.3	-83.1	0	0	0	112.1	D570 L571 D573 L574 A750 I751 W752 T756 S757 R760	D570-Y754 WeakPolarHBondContact O-CE1 3.45Å; L571-Y754 HydrophobicContact CD2-CD1 4.18Å; L571-Y754 HydrophobicContact CD2-CE1 4.18Å; D573-Y754 VanDerWaalsContact CA-OH 3.24Å; D573-Y754 WeakPolarHBondContact CA-OH 3.48Å; D573-Y754 WeakPolarHBondContact CB-OH 3.35Å; D573-Y754 PolarHBondContact N-OH 2.79Å; L574-Y754 HydrophobicContact CB-CE1 4.15Å; L574-Y754 HydrophobicContact CB-CE2 4.33Å; L574-Y754 HydrophobicContact CD1-CD1 3.85Å; L574-Y754 HydrophobicContact CD1-CD2 3.71Å; L574-Y754 HydrophobicContact CD1-CE1 4.29Å; L574-Y754 HydrophobicContact CD1-CE2 4.14Å; L574-Y754 HydrophobicContact CD1-CG 3.55Å; L574-Y754 PolarHBondContact N-OH 2.75Å; L574-Y754 VanDerWaalsContact N-OH 3.12Å; A750-Y754 WeakPolarHBondContact O-CB 3.43Å; A750-Y754 PolarHBondContact O-N 2.94Å; I751-Y754 WeakPolarHBondContact O-CB 3.24Å; I751-Y754 PolarHBondContact O-N 2.76Å; W752-Y754 PolarHBondContact O-N 2.78Å; W752-Y754 VanDerWaalsContact O-N 3.17Å; Y754-T756 VanDerWaalsContact C-N 3.32Å; Y754-T756 PolarHBondContact O-N 2.94Å; Y754-S757 WeakPolarHBondContact O-CB 3.43Å; Y754-S757 PolarHBondContact O-N 3.49Å; Y754-S757 PolarHBondContact O-OG 2.93Å; Y754-R760 VanDerWaalsContact CZ-CZ 3.46Å; Y754-R760 WeakPolarHBondContact O-CD 3.25Å; Y754-R760 PolarHBondContact OH-NH1 2.85Å; Y754-R760 PolarHBondContact OH-NH2 2.85Å
755	I	91.5	Very high	91.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72	-24.4	-177.5	65.6	167.4	0	0	0	113.5	A569 L571 F585 I638 I751 W752 S757	A569-I755 HydrophobicContact CB-CB 3.9Å; A569-I755 HydrophobicContact CB-CG2 3.88Å; L571-I755 HydrophobicContact CD2-CG2 3.74Å; F585-I755 HydrophobicContact CE1-CD1 3.77Å; F585-I755 HydrophobicContact CZ-CD1 3.63Å; F585-I755 HydrophobicContact CZ-CG1 4.49Å; I638-I755 HydrophobicContact CD1-CG2 4.06Å; I751-I755 PolarHBondContact O-N 3.31Å; W752-I755 WeakPolarHBondContact O-CG1 3.47Å; W752-I755 PolarHBondContact O-N 3.08Å; I755-S757 VanDerWaalsContact C-N 3.32Å
756	T	88.3	Confident	91.5	Very high	30 Å²	30	35.3 Å²	35.3	18%	0.184	16%	0.16	C	C	.	.	H	α-helix	trans	-83.3	-8.2	173.7	59.5	0	0	0	0	113.1	F660 W752 S753 Y754 L786	F660-T756 HydrophobicContact CD1-CG2 3.67Å; F660-T756 HydrophobicContact CE1-CG2 4.15Å; W752-T756 HydrophobicContact CG-CG2 4.49Å; W752-T756 WeakPolarHBondContact O-CG2 3.43Å; W752-T756 PolarHBondContact O-N 3.2Å; W752-T756 PolarHBondContact O-OG1 2.98Å; W752-T756 VanDerWaalsContact O-OG1 3.06Å; S753-T756 WeakPolarHBondContact CA-OG1 3.5Å; S753-T756 PolarHBondContact O-OG1 3.38Å; Y754-T756 VanDerWaalsContact C-N 3.32Å; Y754-T756 PolarHBondContact O-N 2.94Å; T756-L786 HydrophobicContact CG2-CD1 4.2Å
757	S	81.7	Confident	91.5	Very high	31 Å²	31	32.8 Å²	32.8	22%	0.217	15%	0.148	C	C	.	.	S	Bend	trans	-75.5	164.9	-179.6	75.8	0	0	0	0	114	S753 Y754 I755 R759 R760	S753-S757 WeakPolarHBondContact O-CB 3.43Å; S753-S757 PolarHBondContact O-N 3.16Å; Y754-S757 WeakPolarHBondContact O-CB 3.43Å; Y754-S757 PolarHBondContact O-N 3.49Å; Y754-S757 PolarHBondContact O-OG 2.93Å; I755-S757 VanDerWaalsContact C-N 3.32Å; S757-R759 PolarHBondContact O-N 2.95Å; S757-R759 VanDerWaalsContact O-N 3.16Å; S757-R760 PolarHBondContact OG-NE 3.2Å
758	H	65.7	Low	91.5	Very high	153 Å²	153	35.2 Å²	35.2	71%	0.708	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-20.1	104.1	179.8	-67.5	84.5	0	0	0	116.5	R760	H758-R760 VanDerWaalsContact C-N 3.33Å; H758-R760 WeakPolarHBondContact O-CG 3.38Å; H758-R760 PolarHBondContact O-N 2.93Å; H758-R760 VanDerWaalsContact O-N 3.16Å
759	R	75.4	Confident	91.4	Very high	164 Å²	164	37.5 Å²	37.5	62%	0.619	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	41.2	161.5	-57.4	-171.7	-175.4	-157.3	-4.4	115.5	D549 F550 S757	D549-R759 VanDerWaalsContact CB-CZ 3.49Å; D549-R759 IonicContact OD2-CZ 2.82Å; D549-R759 VanDerWaalsContact OD2-CZ 3.3Å; D549-R759 IonicContact OD2-NH1 3.83Å; D549-R759 PolarHBondContact OD2-NH1 3.44Å; D549-R759 IonicContact OD2-NH2 3.54Å; D549-R759 PolarHBondContact OD2-NH2 3.4Å; F550-R759 HydrophobicContact CZ-CG 4.42Å; S757-R759 PolarHBondContact O-N 2.95Å; S757-R759 VanDerWaalsContact O-N 3.16Å
760	R	87.7	Confident	91.5	Very high	59 Å²	59	40.2 Å²	40.2	22%	0.223	20%	0.197	C	C	.	.			trans	-93.6	-4.1	176	-63.3	-173.3	177.6	-81	-0.7	114.6	A569 D570 D573 Y754 S757 H758	A569-R760 WeakPolarHBondContact CA-O 3.21Å; D570-R760 PolarHBondContact N-O 2.95Å; D573-R760 IonicContact OD2-CZ 3.7Å; D573-R760 IonicContact OD2-NH1 2.79Å; D573-R760 PolarHBondContact OD2-NH1 2.7Å; D573-R760 IonicContact OD2-NH2 3.62Å; D573-R760 PolarHBondContact OD2-NH2 2.96Å; Y754-R760 VanDerWaalsContact CZ-CZ 3.46Å; Y754-R760 WeakPolarHBondContact O-CD 3.25Å; Y754-R760 PolarHBondContact OH-NH1 2.85Å; Y754-R760 PolarHBondContact OH-NH2 2.85Å; S757-R760 PolarHBondContact OG-NE 3.2Å; H758-R760 VanDerWaalsContact C-N 3.33Å; H758-R760 WeakPolarHBondContact O-CG 3.38Å; H758-R760 PolarHBondContact O-N 2.93Å; H758-R760 VanDerWaalsContact O-N 3.16Å
761	L	93.7	Very high	91.6	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.7	-175.9	-63.6	168.2	0	0	0	111.3	F550 L568 A569 F660 F763 L786	F550-L761 HydrophobicContact CD1-CB 4.08Å; F550-L761 WeakPolarHBondContact CD1-O 3.41Å; F550-L761 HydrophobicContact CE1-CB 4.19Å; L568-L761 WeakPolarHBondContact O-CA 3.41Å; A569-L761 HydrophobicContact CB-CD2 3.65Å; F660-L761 HydrophobicContact CE1-CD1 4.16Å; L761-F763 HydrophobicContact CB-CE1 4.48Å; L761-F763 HydrophobicContact CB-CE2 3.74Å; L761-F763 HydrophobicContact CB-CZ 3.61Å; L761-F763 HydrophobicContact CD1-CZ 3.91Å; L761-F763 HydrophobicContact CG-CZ 4.3Å; L761-L786 HydrophobicContact CD1-CD2 3.68Å
762	K	95.2	Very high	91.7	Very high	62 Å²	62	40.2 Å²	40.2	27%	0.27	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.2	160.8	61.5	172.8	-175.8	169.7	0	109.2	P551 A567 L568 F935	P551-K762 HydrophobicContact CB-CB 4.18Å; P551-K762 HydrophobicContact CG-CB 4.44Å; A567-K762 CarbonylContact C-O 3.17Å; A567-K762 VanDerWaalsContact CA-O 3.29Å; A567-K762 WeakPolarHBondContact CA-O 3.37Å; L568-K762 HydrophobicContact CB-CG 3.94Å; L568-K762 PolarHBondContact N-O 3.47Å; L568-K762 PolarHBondContact O-N 3.36Å; L568-K762 VanDerWaalsContact O-N 3.09Å; K762-F935 HydrophobicContact CB-CE2 4.33Å; K762-F935 HydrophobicContact CD-CD2 4.48Å; K762-F935 HydrophobicContact CD-CE2 3.96Å; K762-F935 HydrophobicContact CG-CE2 3.77Å; K762-F935 HydrophobicContact CG-CZ 4.13Å; K762-F935 PolarHBondContact NZ-O 3.44Å; K762-F935 WeakPolarHBondContact O-CZ 3.41Å
763	F	97.4	Very high	91.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.7	-170.3	-56.9	-88.1	0	0	0	112.5	F550 P551 V552 Q553 F565 H566 A567 L761 L779 F782 L783 F935	F550-F763 HydrophobicContact CB-CD2 4.27Å; F550-F763 HydrophobicContact CB-CE2 3.98Å; F550-F763 HydrophobicContact CD1-CE2 4.05Å; F550-F763 HydrophobicContact CG-CE2 4.22Å; P551-F763 PolarHBondContact O-N 3.12Å; V552-F763 CarbonylContact C-O 3.57Å; V552-F763 WeakPolarHBondContact CA-O 3.4Å; V552-F763 HydrophobicContact CG1-CB 4.37Å; V552-F763 HydrophobicContact CG2-CB 4.32Å; V552-F763 HydrophobicContact CG2-CD2 4.46Å; Q553-F763 PolarHBondContact N-O 2.88Å; F565-F763 AromaticContact CE2-CD1 3.67Å; F565-F763 HydrophobicContact CE2-CD1 3.67Å; F565-F763 HydrophobicContact CE2-CE1 4.06Å; F565-F763 AromaticContact CZ-CD1 3.83Å; F565-F763 HydrophobicContact CZ-CD1 3.83Å; F565-F763 AromaticContact CZ-CE1 3.9Å; F565-F763 HydrophobicContact CZ-CE1 3.9Å; H566-F763 CarbonylContact O-C 3.52Å; H566-F763 VanDerWaalsContact O-CA 3.29Å; H566-F763 WeakPolarHBondContact O-CA 3.25Å; A567-F763 HydrophobicContact CB-CD1 3.6Å; A567-F763 HydrophobicContact CB-CE1 3.62Å; L761-F763 HydrophobicContact CB-CE1 4.48Å; L761-F763 HydrophobicContact CB-CE2 3.74Å; L761-F763 HydrophobicContact CB-CZ 3.61Å; L761-F763 HydrophobicContact CD1-CZ 3.91Å; L761-F763 HydrophobicContact CG-CZ 4.3Å; F763-L779 HydrophobicContact CB-CD2 4.11Å; F763-L779 HydrophobicContact CD1-CD1 3.86Å; F763-L779 HydrophobicContact CD2-CD1 4.33Å; F763-L779 HydrophobicContact CD2-CD2 4.36Å; F763-L779 HydrophobicContact CE1-CD1 3.92Å; F763-L779 HydrophobicContact CE2-CD1 4.41Å; F763-L779 HydrophobicContact CG-CD1 4.07Å; F763-L779 HydrophobicContact CG-CD2 4.1Å; F763-L779 HydrophobicContact CZ-CD1 4.2Å; F763-F782 HydrophobicContact CE1-CE1 4.13Å; F763-F782 HydrophobicContact CZ-CE1 4.14Å; F763-L783 HydrophobicContact CE2-CD1 4.29Å; F763-L783 HydrophobicContact CE2-CD2 3.68Å; F763-L783 HydrophobicContact CE2-CG 4.49Å; F763-L783 HydrophobicContact CZ-CD2 3.65Å; F763-F935 WeakPolarHBondContact O-CE2 3.45Å
764	S	98	Very high	92	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123.3	169.7	-172.6	0	0	0	0	109.5	Q553 N555 H566 H766	Q553-S764 CarbonylContact O-C 3.46Å; Q553-S764 VanDerWaalsContact O-CA 3.3Å; Q553-S764 WeakPolarHBondContact O-CA 2.94Å; N555-S764 PolarHBondContact ND2-OG 2.92Å; H566-S764 PolarHBondContact N-O 3.17Å; H566-S764 PolarHBondContact O-N 2.7Å; S764-H766 PolarHBondContact OG-CE1 3.47Å; S764-H766 VanDerWaalsContact OG-CE1 3.23Å
765	L	98.1	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.9	-179.1	-52.5	-175	0	0	0	109.3	V552 Q553 L554 N555 F563 Y564 F565 L772 L776 L779	V552-L765 HydrophobicContact CG1-CD1 4.37Å; V552-L765 HydrophobicContact CG1-CG 4.28Å; Q553-L765 PolarHBondContact O-N 3.19Å; L554-L765 HydrophobicContact CD2-CB 4.17Å; L554-L765 HydrophobicContact CD2-CD1 4.13Å; L554-L765 HydrophobicContact CD2-CG 4.4Å; N555-L765 PolarHBondContact N-O 3.03Å; N555-L765 PolarHBondContact ND2-O 3.32Å; F563-L765 HydrophobicContact CE1-CD2 4.49Å; F563-L765 HydrophobicContact CE2-CB 4.01Å; F563-L765 HydrophobicContact CE2-CD1 4.17Å; F563-L765 HydrophobicContact CE2-CD2 4.36Å; F563-L765 HydrophobicContact CE2-CG 4.4Å; F563-L765 HydrophobicContact CZ-CB 4.22Å; F563-L765 HydrophobicContact CZ-CD1 4Å; F563-L765 HydrophobicContact CZ-CD2 3.69Å; F563-L765 HydrophobicContact CZ-CG 4.17Å; Y564-L765 CarbonylContact O-C 3.57Å; Y564-L765 WeakPolarHBondContact O-CA 3.38Å; F565-L765 HydrophobicContact CD2-CD2 3.75Å; L765-L772 HydrophobicContact CB-CD2 3.71Å; L765-L776 HydrophobicContact CD1-CD2 4.26Å; L765-L776 HydrophobicContact CD1-CG 4.23Å; L765-L779 HydrophobicContact CD1-CD2 4.19Å
766	H	97.2	Very high	92.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.7	173.5	-44.8	56.5	0	0	0	109.6	N555 Y564 H566 S764 G928 R930 L932	N555-H766 HydrophobicContact CB-CB 4.22Å; N555-H766 WeakPolarHBondContact CB-CD2 3.28Å; N555-H766 PolarHBondContact ND2-CE1 3.29Å; N555-H766 PolarHBondContact ND2-NE2 3.36Å; N555-H766 VanDerWaalsContact O-CA 3.32Å; N555-H766 WeakPolarHBondContact O-CA 3.39Å; Y564-H766 HydrophobicContact CD2-CB 4.29Å; Y564-H766 HydrophobicContact CG-CB 4.49Å; Y564-H766 PolarHBondContact N-O 3.13Å; Y564-H766 PolarHBondContact O-N 2.7Å; H566-H766 AromaticContact CD2-CE1 3.71Å; H566-H766 AromaticContact CD2-ND1 3.79Å; S764-H766 PolarHBondContact OG-CE1 3.47Å; S764-H766 VanDerWaalsContact OG-CE1 3.23Å; H766-G928 PolarHBondContact CD2-O 2.85Å; H766-R930 PolarHBondContact CD2-O 3.39Å; H766-R930 PolarHBondContact NE2-O 3.24Å; H766-L932 VanDerWaalsContact CE1-CD2 3.41Å; H766-L932 WeakPolarHBondContact CE1-CD2 3.14Å
767	G	96.1	Very high	92.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	179	-177.6	0	0	0	0	0	111.8	N555 E556 A557 T559	N555-G767 PolarHBondContact O-N 2.93Å; E556-G767 WeakPolarHBondContact CA-O 3.45Å; A557-G767 PolarHBondContact N-O 3.4Å; A557-G767 CarbonylContact O-C 3.54Å; T559-G767 WeakPolarHBondContact OG1-CA 3.47Å
768	E	95.7	Very high	93.7	Very high	74 Å²	74	53 Å²	53	35%	0.346	25%	0.254	S	S	.	.			trans	-74.9	166	165.3	-63.7	169.7	-161.2	0	0	109.6	T559 N560 G561 D770 G771 L772	T559-E768 PolarHBondContact N-OE1 3Å; T559-E768 PolarHBondContact OG1-N 2.99Å; N560-E768 PolarHBondContact N-OE1 3.35Å; N560-E768 VanDerWaalsContact N-OE1 3.14Å; G561-E768 PolarHBondContact N-OE1 2.95Å; E768-D770 VanDerWaalsContact C-N 3.3Å; E768-D770 PolarHBondContact O-N 3.21Å; E768-G771 PolarHBondContact O-N 3.5Å; E768-G771 VanDerWaalsContact O-N 3.14Å; E768-L772 WeakPolarHBondContact O-CG 3.37Å; E768-L772 PolarHBondContact O-N 2.95Å
769	A	95.8	Very high	95.2	Very high	48 Å²	48	45.8 Å²	45.8	40%	0.397	22%	0.22	S	C	.	.	H	α-helix	trans	-55.2	-42.3	-171.2	0	0	0	0	0	113.4	L772 M773	A769-L772 PolarHBondContact O-N 2.98Å; A769-M773 WeakPolarHBondContact O-CB 3.25Å; A769-M773 PolarHBondContact O-N 3.39Å
770	D	96.1	Very high	96	Very high	123 Å²	123	40.9 Å²	40.9	66%	0.658	21%	0.206	S	C	*	.	H	α-helix	trans	-68.4	-43.3	179.1	-71.3	-18.1	0	0	0	111.6	E768 L772 M773 S774	E768-D770 VanDerWaalsContact C-N 3.3Å; E768-D770 PolarHBondContact O-N 3.21Å; D770-L772 PolarHBondContact O-N 2.79Å; D770-M773 PolarHBondContact O-N 2.9Å; D770-S774 WeakPolarHBondContact O-CB 3.35Å; D770-S774 PolarHBondContact O-N 3.41Å
771	G	96.7	Very high	96.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-43.6	173.4	0	0	0	0	0	112.8	I649 E768 S774 G775	I649-G771 WeakPolarHBondContact CD1-O 3.31Å; E768-G771 PolarHBondContact O-N 3.5Å; E768-G771 VanDerWaalsContact O-N 3.14Å; G771-S774 PolarHBondContact O-N 3.31Å; G771-G775 PolarHBondContact O-N 3.35Å
772	L	97.5	Very high	96.2	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-42	176.7	-71.9	177.3	0	0	0	112.6	L554 E556 L765 E768 A769 D770 G775 L776	L554-L772 HydrophobicContact CD2-CD2 4.47Å; E556-L772 HydrophobicContact CB-CD1 3.95Å; E556-L772 HydrophobicContact CG-CD1 4.34Å; L765-L772 HydrophobicContact CB-CD2 3.71Å; E768-L772 WeakPolarHBondContact O-CG 3.37Å; E768-L772 PolarHBondContact O-N 2.95Å; A769-L772 PolarHBondContact O-N 2.98Å; D770-L772 PolarHBondContact O-N 2.79Å; L772-G775 PolarHBondContact O-N 2.8Å; L772-L776 WeakPolarHBondContact O-CB 3.48Å; L772-L776 WeakPolarHBondContact O-CG 3.35Å; L772-L776 PolarHBondContact O-N 3.48Å
773	M	96.6	Very high	96	Very high	131 Å²	131	36.6 Å²	36.6	65%	0.645	20%	0.198	S	C	*	.	H	α-helix	trans	-63.5	-44.7	177.3	-169.8	-172.6	-47.9	0	0	111.3	A769 D770 K777	A769-M773 WeakPolarHBondContact O-CB 3.25Å; A769-M773 PolarHBondContact O-N 3.39Å; D770-M773 PolarHBondContact O-N 2.9Å; M773-K777 PolarHBondContact O-N 3.39Å
774	S	97.2	Very high	95.4	Very high	36 Å²	36	39.4 Å²	39.4	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-63.2	-45.2	174.4	-174.5	0	0	0	0	111.4	D770 G771 K777 H778	D770-S774 WeakPolarHBondContact O-CB 3.35Å; D770-S774 PolarHBondContact O-N 3.41Å; G771-S774 PolarHBondContact O-N 3.31Å; S774-K777 PolarHBondContact O-N 2.89Å; S774-H778 PolarHBondContact O-N 3.42Å; S774-H778 VanDerWaalsContact O-N 3.1Å; S774-H778 PolarHBondContact O-ND1 2.98Å
775	G	97.4	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-43.9	179.7	0	0	0	0	0	113	G771 L772 K777 H778 L779	G771-G775 PolarHBondContact O-N 3.35Å; L772-G775 PolarHBondContact O-N 2.8Å; G775-K777 PolarHBondContact O-N 3.32Å; G775-H778 PolarHBondContact O-N 3.23Å; G775-L779 VanDerWaalsContact O-CB 3.25Å; G775-L779 WeakPolarHBondContact O-CB 3.41Å; G775-L779 PolarHBondContact O-N 3.29Å
776	L	96.7	Very high	94	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-44.6	174.4	-86.2	172.1	0	0	0	112.7	T545 V552 L554 L765 L772 H778 L779 D780	T545-L776 HydrophobicContact CG2-CD2 4.39Å; V552-L776 HydrophobicContact CG1-CD2 4.04Å; L554-L776 HydrophobicContact CD1-CD1 3.72Å; L554-L776 HydrophobicContact CD2-CD1 3.9Å; L554-L776 HydrophobicContact CD2-CD2 3.83Å; L554-L776 HydrophobicContact CD2-CG 3.8Å; L554-L776 HydrophobicContact CG-CD1 4.44Å; L765-L776 HydrophobicContact CD1-CD2 4.26Å; L765-L776 HydrophobicContact CD1-CG 4.23Å; L772-L776 WeakPolarHBondContact O-CB 3.48Å; L772-L776 WeakPolarHBondContact O-CG 3.35Å; L772-L776 PolarHBondContact O-N 3.48Å; L776-H778 PolarHBondContact O-N 2.86Å; L776-L779 PolarHBondContact O-N 3.29Å; L776-D780 PolarHBondContact O-N 3.48Å
777	K	96.2	Very high	93	Very high	155 Å²	155	47 Å²	47	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-61.2	-44.7	178.7	178	-173.9	172	-171.2	0	111.6	M773 S774 G775 D780 G781	M773-K777 PolarHBondContact O-N 3.39Å; S774-K777 PolarHBondContact O-N 2.89Å; G775-K777 PolarHBondContact O-N 3.32Å; K777-D780 PolarHBondContact O-N 2.94Å; K777-G781 PolarHBondContact O-N 2.83Å
778	H	97.2	Very high	91.8	Very high	49 Å²	49	54.2 Å²	54.2	23%	0.227	30%	0.295	C	S	.	.	H	α-helix	trans	-76.1	-29.7	-179.7	-67.3	90.4	0	0	0	112.4	I649 F653 S774 G775 L776 G781 F782	I649-H778 HydrophobicContact CG2-CB 4.2Å; F653-H778 HydrophobicContact CB-CB 3.88Å; F653-H778 HydrophobicContact CD2-CB 3.33Å; F653-H778 HydrophobicContact CE2-CB 3.96Å; F653-H778 HydrophobicContact CG-CB 3.67Å; S774-H778 PolarHBondContact O-N 3.42Å; S774-H778 VanDerWaalsContact O-N 3.1Å; S774-H778 PolarHBondContact O-ND1 2.98Å; G775-H778 PolarHBondContact O-N 3.23Å; L776-H778 PolarHBondContact O-N 2.86Å; H778-G781 PolarHBondContact O-N 3.16Å; H778-F782 PolarHBondContact O-N 3.22Å
779	L	96.4	Very high	90.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-43.3	169.7	178.5	63.1	0	0	0	111.4	V552 F565 F653 F763 L765 G775 L776 G781 F782 L783	V552-L779 HydrophobicContact CG1-CD2 4.17Å; V552-L779 HydrophobicContact CG2-CD2 3.77Å; F565-L779 HydrophobicContact CE2-CD1 4.3Å; F653-L779 HydrophobicContact CE1-CB 3.89Å; F653-L779 HydrophobicContact CE1-CD1 3.95Å; F653-L779 HydrophobicContact CZ-CB 3.97Å; F763-L779 HydrophobicContact CB-CD2 4.11Å; F763-L779 HydrophobicContact CD1-CD1 3.86Å; F763-L779 HydrophobicContact CD2-CD1 4.33Å; F763-L779 HydrophobicContact CD2-CD2 4.36Å; F763-L779 HydrophobicContact CE1-CD1 3.92Å; F763-L779 HydrophobicContact CE2-CD1 4.41Å; F763-L779 HydrophobicContact CG-CD1 4.07Å; F763-L779 HydrophobicContact CG-CD2 4.1Å; F763-L779 HydrophobicContact CZ-CD1 4.2Å; L765-L779 HydrophobicContact CD1-CD2 4.19Å; G775-L779 VanDerWaalsContact O-CB 3.25Å; G775-L779 WeakPolarHBondContact O-CB 3.41Å; G775-L779 PolarHBondContact O-N 3.29Å; L776-L779 PolarHBondContact O-N 3.29Å; L779-G781 VanDerWaalsContact C-N 3.29Å; L779-G781 PolarHBondContact O-N 2.88Å; L779-F782 HydrophobicContact CD1-CD1 3.97Å; L779-F782 PolarHBondContact O-N 3.39Å; L779-L783 HydrophobicContact CD1-CD1 4.15Å; L779-L783 HydrophobicContact CD1-CG 4.14Å; L779-L783 HydrophobicContact CG-CD1 3.95Å; L779-L783 HydrophobicContact CG-CG 4.38Å; L779-L783 WeakPolarHBondContact O-CB 3.49Å; L779-L783 VanDerWaalsContact O-CG 3.25Å; L779-L783 WeakPolarHBondContact O-CG 3.46Å; L779-L783 PolarHBondContact O-N 2.99Å
780	D	93.8	Very high	88.3	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-42.4	174.1	-169.9	66	0	0	0	111.5	T547 S548 L776 K777 L783 N784	T547-D780 VanDerWaalsContact CG2-CA 3.5Å; T547-D780 HydrophobicContact CG2-CB 3.36Å; T547-D780 WeakPolarHBondContact CG2-OD1 3.42Å; S548-D780 PolarHBondContact OG-OD1 2.84Å; L776-D780 PolarHBondContact O-N 3.48Å; K777-D780 PolarHBondContact O-N 2.94Å; D780-L783 PolarHBondContact O-N 2.87Å; D780-N784 WeakPolarHBondContact O-CB 3.41Å; D780-N784 PolarHBondContact O-N 3.49Å; D780-N784 PolarHBondContact O-ND2 3.28Å; D780-N784 PolarHBondContact OD2-ND2 3.47Å; D780-N784 VanDerWaalsContact OD2-ND2 3.08Å
781	G	91.8	Very high	86.4	Confident	32 Å²	32	55.8 Å²	55.8	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-50.8	173.6	0	0	0	0	0	112.9	K777 H778 L779 L783 N784 D785	K777-G781 PolarHBondContact O-N 2.83Å; H778-G781 PolarHBondContact O-N 3.16Å; L779-G781 VanDerWaalsContact C-N 3.29Å; L779-G781 PolarHBondContact O-N 2.88Å; G781-L783 VanDerWaalsContact C-N 3.31Å; G781-L783 PolarHBondContact O-N 3.27Å; G781-N784 PolarHBondContact O-N 3.28Å; G781-D785 PolarHBondContact O-N 2.83Å
782	F	92.7	Very high	84.2	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-56.1	-42.9	175.9	165.9	-101.5	0	0	0	112.4	F653 W656 S657 F660 F763 H778 L779 D785 L786	F653-F782 HydrophobicContact CD1-CB 4.01Å; F653-F782 HydrophobicContact CD1-CG 4.43Å; W656-F782 HydrophobicContact CB-CD2 4.15Å; W656-F782 HydrophobicContact CB-CE2 3.99Å; S657-F782 WeakPolarHBondContact OG-CD2 3.41Å; F660-F782 HydrophobicContact CB-CE2 3.99Å; F660-F782 HydrophobicContact CB-CZ 4.37Å; F660-F782 HydrophobicContact CD1-CE2 4.49Å; F660-F782 HydrophobicContact CD1-CZ 4.04Å; F660-F782 AromaticContact CD2-CE2 3.94Å; F660-F782 HydrophobicContact CD2-CE2 3.94Å; F660-F782 AromaticContact CD2-CZ 3.9Å; F660-F782 HydrophobicContact CD2-CZ 3.9Å; F660-F782 HydrophobicContact CE1-CZ 4.29Å; F660-F782 HydrophobicContact CE2-CZ 4.14Å; F660-F782 AromaticContact CG-CE2 3.89Å; F660-F782 HydrophobicContact CG-CE2 3.89Å; F660-F782 AromaticContact CG-CZ 3.83Å; F660-F782 HydrophobicContact CG-CZ 3.83Å; F660-F782 HydrophobicContact CZ-CZ 4.32Å; F763-F782 HydrophobicContact CE1-CE1 4.13Å; F763-F782 HydrophobicContact CZ-CE1 4.14Å; H778-F782 PolarHBondContact O-N 3.22Å; L779-F782 HydrophobicContact CD1-CD1 3.97Å; L779-F782 PolarHBondContact O-N 3.39Å; F782-D785 PolarHBondContact O-N 2.8Å; F782-L786 PolarHBondContact O-N 2.85Å
783	L	90.8	Very high	82	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-70.8	-38.4	179.5	-69	172.8	0	0	0	112.7	T547 F550 F763 L779 D780 G781 D785 L786 S787	T547-L783 HydrophobicContact CG2-CD1 4.24Å; F550-L783 HydrophobicContact CB-CD1 3.94Å; F550-L783 HydrophobicContact CB-CD2 4.5Å; F550-L783 HydrophobicContact CD1-CD2 4.1Å; F550-L783 HydrophobicContact CD2-CB 4.36Å; F550-L783 HydrophobicContact CD2-CD1 3.79Å; F550-L783 HydrophobicContact CD2-CD2 3.75Å; F550-L783 HydrophobicContact CD2-CG 4.17Å; F550-L783 HydrophobicContact CE1-CD2 4.21Å; F550-L783 HydrophobicContact CE2-CB 4.4Å; F550-L783 HydrophobicContact CE2-CD2 3.89Å; F550-L783 HydrophobicContact CG-CD1 4.01Å; F550-L783 HydrophobicContact CG-CD2 3.86Å; F550-L783 HydrophobicContact CZ-CD2 4.11Å; F763-L783 HydrophobicContact CE2-CD1 4.29Å; F763-L783 HydrophobicContact CE2-CD2 3.68Å; F763-L783 HydrophobicContact CE2-CG 4.49Å; F763-L783 HydrophobicContact CZ-CD2 3.65Å; L779-L783 HydrophobicContact CD1-CD1 4.15Å; L779-L783 HydrophobicContact CD1-CG 4.14Å; L779-L783 HydrophobicContact CG-CD1 3.95Å; L779-L783 HydrophobicContact CG-CG 4.38Å; L779-L783 WeakPolarHBondContact O-CB 3.49Å; L779-L783 VanDerWaalsContact O-CG 3.25Å; L779-L783 WeakPolarHBondContact O-CG 3.46Å; L779-L783 PolarHBondContact O-N 2.99Å; D780-L783 PolarHBondContact O-N 2.87Å; G781-L783 VanDerWaalsContact C-N 3.31Å; G781-L783 PolarHBondContact O-N 3.27Å; L783-D785 VanDerWaalsContact C-N 3.31Å; L783-D785 PolarHBondContact O-N 3.36Å; L783-L786 PolarHBondContact O-N 3.24Å; L783-S787 PolarHBondContact O-N 2.95Å
784	N	86.5	Confident	79.7	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-41	173.8	-74.4	-39.1	0	0	0	111.1	D780 G781 S787 Q788	D780-N784 WeakPolarHBondContact O-CB 3.41Å; D780-N784 PolarHBondContact O-N 3.49Å; D780-N784 PolarHBondContact O-ND2 3.28Å; D780-N784 PolarHBondContact OD2-ND2 3.47Å; D780-N784 VanDerWaalsContact OD2-ND2 3.08Å; G781-N784 PolarHBondContact O-N 3.28Å; N784-S787 PolarHBondContact O-N 3.34Å; N784-S787 PolarHBondContact O-OG 2.99Å; N784-Q788 WeakPolarHBondContact O-CG 3.23Å; N784-Q788 PolarHBondContact O-N 3.08Å; N784-Q788 PolarHBondContact O-NE2 3.15Å
785	D	82.4	Confident	77.5	Confident	54 Å²	54	62.6 Å²	62.6	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.6	-79.5	6.9	0	0	0	112.2	R661 G781 F782 L783 S787 Q788 S789	R661-D785 IonicContact CZ-OD2 3.4Å; R661-D785 IonicContact NH2-OD2 3.94Å; R661-D785 PolarHBondContact NH2-OD2 3.37Å; G781-D785 PolarHBondContact O-N 2.83Å; F782-D785 PolarHBondContact O-N 2.8Å; L783-D785 VanDerWaalsContact C-N 3.31Å; L783-D785 PolarHBondContact O-N 3.36Å; D785-S787 VanDerWaalsContact C-N 3.29Å; D785-S787 PolarHBondContact O-N 3.27Å; D785-Q788 PolarHBondContact O-N 2.8Å; D785-S789 PolarHBondContact O-N 3.19Å; D785-S789 PolarHBondContact O-OG 3.41Å
786	L	83.5	Confident	75.3	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.094	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-40.3	177.1	-172.1	66.7	0	0	0	111.3	F660 T756 L761 F782 L783 Q788 S789	F660-L786 HydrophobicContact CB-CD1 4.33Å; F660-L786 HydrophobicContact CD1-CD1 3.91Å; T756-L786 HydrophobicContact CG2-CD1 4.2Å; L761-L786 HydrophobicContact CD1-CD2 3.68Å; F782-L786 PolarHBondContact O-N 2.85Å; L783-L786 PolarHBondContact O-N 3.24Å; L786-Q788 PolarHBondContact O-N 3.09Å; L786-S789 WeakPolarHBondContact O-CB 3.42Å; L786-S789 PolarHBondContact O-N 3.49Å
787	S	76.6	Confident	72.7	Confident	88 Å²	88	68.1 Å²	68.1	62%	0.615	40%	0.399	S	S	*	.	H	α-helix	trans	-67	-22.6	179.4	76.8	0	0	0	0	114.4	L783 N784 D785	L783-S787 PolarHBondContact O-N 2.95Å; N784-S787 PolarHBondContact O-N 3.34Å; N784-S787 PolarHBondContact O-OG 2.99Å; D785-S787 VanDerWaalsContact C-N 3.29Å; D785-S787 PolarHBondContact O-N 3.27Å
788	Q	70.1	Confident	70.3	Confident	151 Å²	151	67 Å²	67	71%	0.706	40%	0.399	S	S	*	.	H	α-helix	trans	-91.1	-9.5	178.3	-68.6	173.6	49.4	0	0	113	N784 D785 L786	N784-Q788 WeakPolarHBondContact O-CG 3.23Å; N784-Q788 PolarHBondContact O-N 3.08Å; N784-Q788 PolarHBondContact O-NE2 3.15Å; D785-Q788 PolarHBondContact O-N 2.8Å; L786-Q788 PolarHBondContact O-N 3.09Å
789	S	62.8	Low	67.5	Low	37 Å²	37	72.8 Å²	72.8	26%	0.259	42%	0.424	S	S	.	.	S	Bend	trans	-68.5	133	-178.3	-65.2	0	0	0	0	110.4	D785 L786 N791	D785-S789 PolarHBondContact O-N 3.19Å; D785-S789 PolarHBondContact O-OG 3.41Å; L786-S789 WeakPolarHBondContact O-CB 3.42Å; L786-S789 PolarHBondContact O-N 3.49Å; S789-N791 PolarHBondContact O-N 2.9Å
790	P	55	Low	64.9	Low	112 Å²	112	80.6 Å²	80.6	73%	0.727	47%	0.466	S	S	*	.			trans	-62.1	138.6	-179.7	23.1	-30.8	0	0	0	110.7	V792	P790-V792 PolarHBondContact O-N 3.41Å
791	N	55.6	Low	62.5	Low	128 Å²	128	80.8 Å²	80.8	68%	0.684	47%	0.472	S	S	*	.			trans	-59.3	110.4	169.4	-77.6	-32	0	0	0	108.9	S789 S793	S789-N791 PolarHBondContact O-N 2.9Å; N791-S793 PolarHBondContact O-N 3.24Å
792	V	52	Low	60	Low	62 Å²	62	87.4 Å²	87.4	38%	0.376	49%	0.494	S	S	.	.			trans	-71.6	114.2	175.9	179.6	0	0	0	0	108.4	W752 S753 P790 T794	W752-V792 HydrophobicContact CH2-CG2 3.82Å; W752-V792 HydrophobicContact CZ3-CB 4.41Å; W752-V792 HydrophobicContact CZ3-CG1 4.41Å; W752-V792 HydrophobicContact CZ3-CG2 3.79Å; S753-V792 PolarHBondContact OG-O 2.81Å; P790-V792 PolarHBondContact O-N 3.41Å; V792-T794 PolarHBondContact O-N 2.94Å
793	S	49.7	Very low	57.6	Low	119 Å²	119	91.8 Å²	91.8	83%	0.832	52%	0.518	S	S	*	.			trans	-71	113.5	170.2	-67.1	0	0	0	0	109.7	N791	N791-S793 PolarHBondContact O-N 3.24Å
794	T	50.2	Low	55.4	Low	44 Å²	44	93.9 Å²	93.9	27%	0.27	53%	0.532	S	S	.	.			trans	-81.5	139.8	170.1	51.4	0	0	0	0	110.3	A750 V792 L796	A750-T794 HydrophobicContact CB-CG2 4.19Å; V792-T794 PolarHBondContact O-N 2.94Å; T794-L796 VanDerWaalsContact C-N 3.29Å; T794-L796 PolarHBondContact O-N 3.18Å
795	S	50	Low	53.3	Low	98 Å²	98	94.9 Å²	94.9	69%	0.685	54%	0.537	S	S	*	.	S	Bend	trans	-78.9	-9.9	176.1	50.9	0	0	0	0	114.1	P797	S795-P797 WeakPolarHBondContact O-CD 3.36Å
796	L	51.5	Low	51.6	Low	55 Å²	55	96.7 Å²	96.7	29%	0.288	55%	0.55	S	S	.	.	S	Bend	trans	-65.5	117.1	173.4	-72.8	169.4	0	0	0	108.3	A750 T794 I798	A750-L796 HydrophobicContact CB-CD1 4.06Å; T794-L796 VanDerWaalsContact C-N 3.29Å; T794-L796 PolarHBondContact O-N 3.18Å; L796-I798 PolarHBondContact O-N 2.85Å
797	P	42.4	Very low	50.2	Low	100 Å²	100	100.2 Å²	100.2	65%	0.649	56%	0.564	S	S	*	*			trans	-59.6	113.3	165	23.9	-28.8	0	0	0	105.9	S795 K799	S795-P797 WeakPolarHBondContact O-CD 3.36Å; P797-K799 PolarHBondContact O-N 2.96Å
798	I	44.6	Very low	49.4	Very low	132 Å²	132	98.6 Å²	98.6	68%	0.677	55%	0.552	S	S	*	*			trans	-64.5	81.4	159.5	-52.5	171.8	0	0	0	103.6	L796 D800	L796-I798 PolarHBondContact O-N 2.85Å; I798-D800 PolarHBondContact O-N 3.27Å; I798-D800 VanDerWaalsContact O-N 3.15Å
799	K	38.9	Very low	49.2	Very low	171 Å²	171	99.4 Å²	99.4	74%	0.743	56%	0.561	S	S	*	*			trans	-52	125.6	164.6	-75.3	-179.2	178	174.1	0	103.7	P797 S801	P797-K799 PolarHBondContact O-N 2.96Å; K799-S801 VanDerWaalsContact C-N 3.29Å; K799-S801 VanDerWaalsContact O-CA 3.25Å; K799-S801 WeakPolarHBondContact O-CA 3.47Å; K799-S801 PolarHBondContact O-N 3.36Å
800	D	41.2	Very low	49.9	Very low	164 Å²	164	98.8 Å²	98.8	88%	0.877	55%	0.554	S	S	*	*			trans	-39.5	105.9	167	-92.5	-34.7	0	0	0	105.9	I798 Q802	I798-D800 PolarHBondContact O-N 3.27Å; I798-D800 VanDerWaalsContact O-N 3.15Å; D800-Q802 PolarHBondContact O-N 3.03Å; D800-Q802 VanDerWaalsContact O-N 3.1Å
801	S	43.6	Very low	51.2	Low	66 Å²	66	95.1 Å²	95.1	46%	0.462	53%	0.532	S	S	.	.			trans	-58.2	126	-160.7	50.5	0	0	0	0	106.1	K799 N803	K799-S801 VanDerWaalsContact C-N 3.29Å; K799-S801 VanDerWaalsContact O-CA 3.25Å; K799-S801 WeakPolarHBondContact O-CA 3.47Å; K799-S801 PolarHBondContact O-N 3.36Å; S801-N803 PolarHBondContact O-N 2.99Å; S801-N803 VanDerWaalsContact O-N 3.1Å
802	Q	39.4	Very low	52.4	Low	170 Å²	170	92.2 Å²	92.2	79%	0.794	51%	0.511	S	S	*	.			trans	-43.7	129.1	160.6	-71.6	-166.5	-7.3	0	0	106.6	D800	D800-Q802 PolarHBondContact O-N 3.03Å; D800-Q802 VanDerWaalsContact O-N 3.1Å
803	N	42.2	Very low	54.2	Low	97 Å²	97	89.9 Å²	89.9	52%	0.519	50%	0.497	S	S	.	.			trans	-32.2	122.3	-172.8	-160.2	7.4	0	0	0	110.3	S801 D805 V806	S801-N803 PolarHBondContact O-N 2.99Å; S801-N803 VanDerWaalsContact O-N 3.1Å; N803-D805 HydrophobicContact CB-CB 4.23Å; N803-D805 WeakPolarHBondContact ND2-CB 3.09Å; N803-D805 PolarHBondContact ND2-OD2 3.27Å; N803-D805 PolarHBondContact O-N 3.08Å; N803-D805 PolarHBondContact OD1-OD2 3.42Å; N803-V806 PolarHBondContact O-N 3.12Å; N803-V806 VanDerWaalsContact O-N 3.09Å
804	P	45	Very low	56.3	Low	44 Å²	44	84.2 Å²	84.2	29%	0.286	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-11.2	177	18.9	-30.9	0	0	0	113.1	F631 V806	F631-P804 HydrophobicContact CD1-CB 3.71Å; F631-P804 HydrophobicContact CD1-CG 4.05Å; F631-P804 HydrophobicContact CD2-CB 4.21Å; F631-P804 HydrophobicContact CE1-CB 3.54Å; F631-P804 HydrophobicContact CE1-CG 4.19Å; F631-P804 HydrophobicContact CE2-CB 4.08Å; F631-P804 HydrophobicContact CG-CB 4.04Å; F631-P804 HydrophobicContact CZ-CB 3.75Å; P804-V806 PolarHBondContact O-N 3.02Å
805	D	43	Very low	58.4	Low	82 Å²	82	82.1 Å²	82.1	44%	0.439	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-2.3	171.1	-61.1	-16.3	0	0	0	116.2	N803 F807	N803-D805 HydrophobicContact CB-CB 4.23Å; N803-D805 WeakPolarHBondContact ND2-CB 3.09Å; N803-D805 PolarHBondContact ND2-OD2 3.27Å; N803-D805 PolarHBondContact O-N 3.08Å; N803-D805 PolarHBondContact OD1-OD2 3.42Å; D805-F807 VanDerWaalsContact C-N 3.25Å; D805-F807 PolarHBondContact O-N 2.94Å
806	V	47.2	Very low	60.4	Low	92 Å²	92	77.6 Å²	77.6	56%	0.558	41%	0.412	S	S	*	.			trans	-76.9	81.6	170.9	-172	0	0	0	0	109.3	N803 P804	N803-V806 PolarHBondContact O-N 3.12Å; N803-V806 VanDerWaalsContact O-N 3.09Å; P804-V806 PolarHBondContact O-N 3.02Å
807	F	52.2	Low	62.4	Low	93 Å²	93	75.1 Å²	75.1	41%	0.408	40%	0.4	S	S	.	.			trans	-57.3	123.9	165.5	-77.3	-99.9	0	0	0	108.6	L709 D805 N809	L709-F807 HydrophobicContact CD2-CD1 3.49Å; L709-F807 VanDerWaalsContact CD2-CD1 3.49Å; L709-F807 HydrophobicContact CD2-CE1 3.82Å; L709-F807 HydrophobicContact CD2-CG 4.43Å; D805-F807 VanDerWaalsContact C-N 3.25Å; D805-F807 PolarHBondContact O-N 2.94Å; F807-N809 PolarHBondContact O-N 2.97Å
808	P	61.5	Low	64.7	Low	53 Å²	53	70.4 Å²	70.4	34%	0.344	37%	0.369	S	S	.	.			trans	-58.3	132	163.6	26.7	-33.3	0	0	0	107.7	Y576 L709 I810	Y576-P808 WeakPolarHBondContact OH-CD 3.45Å; Y576-P808 WeakPolarHBondContact OH-CG 3.26Å; L709-P808 HydrophobicContact CD1-CG 4.41Å; P808-I810 VanDerWaalsContact C-N 3.28Å; P808-I810 HydrophobicContact CG-CD1 4.44Å; P808-I810 HydrophobicContact CG-CG1 4.49Å; P808-I810 PolarHBondContact O-N 3.45Å
809	N	64.8	Low	66.8	Low	169 Å²	169	64.9 Å²	64.9	90%	0.904	34%	0.341	S	S	*	.			trans	-72.9	90.4	177	-162.2	13.9	0	0	0	108.2	F807	F807-N809 PolarHBondContact O-N 2.97Å
810	I	77.8	Confident	69.2	Low	23 Å²	23	57.1 Å²	57.1	12%	0.118	31%	0.307	C	S	.	.			trans	-81.9	129.4	174.8	-76	173.9	0	0	0	108.5	A702 L709 P808 R812	A702-I810 HydrophobicContact CB-CD1 4.39Å; L709-I810 HydrophobicContact CD1-CD1 3.39Å; P808-I810 VanDerWaalsContact C-N 3.28Å; P808-I810 HydrophobicContact CG-CD1 4.44Å; P808-I810 HydrophobicContact CG-CG1 4.49Å; P808-I810 PolarHBondContact O-N 3.45Å; I810-R812 PolarHBondContact O-N 3.03Å
811	S	81.7	Confident	71.3	Confident	36 Å²	36	51.7 Å²	51.7	25%	0.252	28%	0.281	S	S	.	.			trans	-60.2	136.9	172.2	-173.2	0	0	0	0	110.5	N813 T814 E1006	S811-N813 PolarHBondContact OG-O 3.37Å; S811-T814 PolarHBondContact O-OG1 2.72Å; S811-E1006 WeakPolarHBondContact CB-OE2 3.46Å; S811-E1006 WeakPolarHBondContact OG-CB 3.13Å
812	R	81.7	Confident	73.5	Confident	66 Å²	66	48.8 Å²	48.8	25%	0.249	26%	0.26	C	S	.	.	S	Bend	trans	-80.4	-29.4	179.3	-66.4	-176.7	-175.2	145.5	10.6	113	I810 F976 H977 V979 G980 H981	I810-R812 PolarHBondContact O-N 3.03Å; R812-F976 PolarHBondContact NH1-O 3.2Å; R812-H977 PolarHBondContact NH2-CE1 3.18Å; R812-H977 PolarHBondContact NH2-ND1 3.05Å; R812-V979 WeakPolarHBondContact CD-O 3.03Å; R812-G980 CarbonylContact O-C 3.4Å; R812-G980 WeakPolarHBondContact O-CA 3.42Å; R812-H981 PolarHBondContact O-N 2.9Å
813	N	90.1	Very high	76.2	Confident	14 Å²	14	41.6 Å²	41.6	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111	176.3	-66	-18.5	0	0	0	106.8	S811 H981 K1002 V1004 W1005 E1006	S811-N813 PolarHBondContact OG-O 3.37Å; N813-H981 VanDerWaalsContact CA-O 3.25Å; N813-H981 WeakPolarHBondContact CA-O 3.32Å; N813-H981 PolarHBondContact OD1-ND1 3.2Å; N813-K1002 PolarHBondContact ND2-O 2.75Å; N813-V1004 WeakPolarHBondContact CB-O 3.46Å; N813-V1004 PolarHBondContact ND2-O 2.66Å; N813-W1005 HydrophobicContact CB-CD2 3.82Å; N813-W1005 HydrophobicContact CB-CE3 4.18Å; N813-W1005 HydrophobicContact CB-CG 4.04Å; N813-W1005 HydrophobicContact CB-CZ2 4.44Å; N813-E1006 PolarHBondContact O-N 3.39Å
814	T	92.7	Very high	78.8	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.8	-177.4	-54.7	0	0	0	0	111.1	S811 F816 H981 V982 V983 W1005 E1006 V1008	S811-T814 PolarHBondContact O-OG1 2.72Å; T814-F816 HydrophobicContact CG2-CD2 3.83Å; T814-F816 HydrophobicContact CG2-CE1 4.21Å; T814-F816 HydrophobicContact CG2-CE2 3.35Å; T814-F816 HydrophobicContact CG2-CG 4.42Å; T814-F816 HydrophobicContact CG2-CZ 3.58Å; T814-H981 PolarHBondContact N-O 3.35Å; T814-V982 VanDerWaalsContact O-CA 3.28Å; T814-V982 WeakPolarHBondContact O-CA 3.41Å; T814-V983 PolarHBondContact O-N 3.25Å; T814-W1005 WeakPolarHBondContact O-CZ3 3.33Å; T814-E1006 CarbonylContact C-O 3.3Å; T814-E1006 WeakPolarHBondContact CA-O 3.05Å; T814-E1006 PolarHBondContact OG1-OE2 3.12Å; T814-V1008 HydrophobicContact CG2-CB 4.33Å; T814-V1008 HydrophobicContact CG2-CG2 3.61Å
815	F	94.3	Very high	81.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.7	166.8	174.4	-111.3	0	0	0	109.5	A817 V983 P986 W992 W1005 E1006 R1007 V1008	F815-A817 HydrophobicContact CE1-CB 4.02Å; F815-V983 CarbonylContact C-O 3.55Å; F815-V983 VanDerWaalsContact CA-O 3.26Å; F815-V983 WeakPolarHBondContact CA-O 3.48Å; F815-V983 HydrophobicContact CD2-CB 3.94Å; F815-V983 HydrophobicContact CD2-CG1 3.84Å; F815-V983 WeakPolarHBondContact CD2-O 3.47Å; F815-V983 HydrophobicContact CE2-CG1 4.04Å; F815-P986 WeakPolarHBondContact CZ-O 3.48Å; F815-W992 HydrophobicContact CB-CB 3.75Å; F815-W992 HydrophobicContact CB-CD2 4.23Å; F815-W992 HydrophobicContact CB-CG 3.86Å; F815-W992 HydrophobicContact CD1-CB 3.58Å; F815-W992 AromaticContact CD1-CD1 3.84Å; F815-W992 AromaticContact CD1-CG 3.85Å; F815-W992 HydrophobicContact CD1-CG 3.85Å; F815-W992 HydrophobicContact CD2-CB 4.34Å; F815-W992 AromaticContact CD2-CD1 3.47Å; F815-W992 VanDerWaalsContact CD2-CD1 3.47Å; F815-W992 HydrophobicContact CD2-CD2 4.16Å; F815-W992 AromaticContact CD2-CG 3.75Å; F815-W992 HydrophobicContact CD2-CG 3.75Å; F815-W992 AromaticContact CD2-NE1 3.73Å; F815-W992 HydrophobicContact CE1-CB 4.3Å; F815-W992 AromaticContact CE1-CD1 3.93Å; F815-W992 HydrophobicContact CE1-CG 4.38Å; F815-W992 AromaticContact CE2-CD1 3.57Å; F815-W992 HydrophobicContact CE2-CG 4.28Å; F815-W992 AromaticContact CE2-NE1 3.78Å; F815-W992 HydrophobicContact CG-CB 3.61Å; F815-W992 AromaticContact CG-CD1 3.62Å; F815-W992 HydrophobicContact CG-CD2 4.18Å; F815-W992 AromaticContact CG-CG 3.52Å; F815-W992 HydrophobicContact CG-CG 3.52Å; F815-W992 AromaticContact CZ-CD1 3.81Å; F815-W1005 HydrophobicContact CB-CE3 4.22Å; F815-E1006 PolarHBondContact N-O 3.37Å; F815-R1007 HydrophobicContact CD1-CG 4.04Å; F815-V1008 PolarHBondContact O-N 3.09Å
816	F	93.6	Very high	83.9	Confident	3 Å²	3	31 Å²	31	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.8	172.4	-65.7	-91.3	0	0	0	110	R699 M717 T814 M818 V982 V983 I984 G985 V1008 M1010	R699-F816 HydrophobicContact CB-CE2 4.45Å; R699-F816 HydrophobicContact CG-CE2 3.79Å; R699-F816 HydrophobicContact CG-CZ 4.01Å; M717-F816 HydrophobicContact CB-CD1 4.48Å; M717-F816 HydrophobicContact CB-CE1 3.77Å; M717-F816 HydrophobicContact CB-CE2 4.42Å; M717-F816 HydrophobicContact CB-CZ 3.73Å; M717-F816 HydrophobicContact CE-CB 4.39Å; M717-F816 HydrophobicContact CE-CD1 3.63Å; M717-F816 HydrophobicContact CE-CE1 4.05Å; M717-F816 HydrophobicContact CE-CG 4.02Å; M717-F816 HydrophobicContact CG-CD1 4.39Å; M717-F816 HydrophobicContact CG-CD2 4.44Å; M717-F816 HydrophobicContact CG-CE1 4.07Å; M717-F816 HydrophobicContact CG-CE2 4.13Å; M717-F816 HydrophobicContact CG-CZ 3.92Å; T814-F816 HydrophobicContact CG2-CD2 3.83Å; T814-F816 HydrophobicContact CG2-CE1 4.21Å; T814-F816 HydrophobicContact CG2-CE2 3.35Å; T814-F816 HydrophobicContact CG2-CG 4.42Å; T814-F816 HydrophobicContact CG2-CZ 3.58Å; F816-M818 HydrophobicContact CB-CG 4.43Å; F816-M818 PolarHBondContact O-N 3.46Å; F816-V982 HydrophobicContact CD2-CG1 3.91Å; F816-V982 HydrophobicContact CE2-CG1 3.92Å; F816-V983 PolarHBondContact N-O 3.34Å; F816-I984 HydrophobicContact CB-CB 4.48Å; F816-I984 HydrophobicContact CB-CG1 4.16Å; F816-I984 HydrophobicContact CB-CG2 4.25Å; F816-I984 HydrophobicContact CD2-CG1 4.04Å; F816-I984 HydrophobicContact CG-CG1 4.47Å; F816-G985 PolarHBondContact O-N 3.32Å; F816-G985 VanDerWaalsContact O-N 3.1Å; F816-V1008 HydrophobicContact CD1-CB 3.79Å; F816-V1008 HydrophobicContact CD1-CG1 3.82Å; F816-V1008 HydrophobicContact CD1-CG2 4.5Å; F816-V1008 HydrophobicContact CE1-CB 3.94Å; F816-V1008 HydrophobicContact CE1-CG1 3.85Å; F816-V1008 HydrophobicContact CE1-CG2 4.21Å; F816-M1010 HydrophobicContact CD1-CG 4.49Å; F816-M1010 HydrophobicContact CD1-SD 4.02Å; F816-M1010 HydrophobicContact CE1-SD 4.27Å
817	A	91.7	Very high	86.2	Confident	3 Å²	3	26.7 Å²	26.7	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115	173.4	0	0	0	0	0	109.9	F815 D987 V1008	F815-A817 HydrophobicContact CE1-CB 4.02Å; A817-D987 HydrophobicContact CB-CB 3.93Å; A817-D987 WeakPolarHBondContact CB-OD1 3.43Å; A817-V1008 PolarHBondContact N-O 2.89Å
818	M	91.5	Very high	88.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.4	-175.8	-68.9	-58.4	-72.3	0	0	110.7	M285 A685 M717 F816 Y820 I984 G985 M1010	M285-M818 HydrophobicContact CG-CE 4.19Å; M285-M818 HydrophobicContact CG-SD 4.44Å; M285-M818 HydrophobicContact SD-CE 3.37Å; M285-M818 WeakPolarHBondContact SD-CE 3.42Å; M285-M818 HydrophobicContact SD-SD 3.99Å; A685-M818 HydrophobicContact CB-CE 3.55Å; M717-M818 HydrophobicContact CE-SD 4.49Å; F816-M818 HydrophobicContact CB-CG 4.43Å; F816-M818 PolarHBondContact O-N 3.46Å; M818-Y820 HydrophobicContact CB-CD1 4.25Å; M818-Y820 HydrophobicContact CB-CD2 3.53Å; M818-Y820 HydrophobicContact CB-CE1 4.16Å; M818-Y820 HydrophobicContact CB-CE2 3.46Å; M818-Y820 VanDerWaalsContact CB-CE2 3.46Å; M818-Y820 HydrophobicContact CB-CG 3.93Å; M818-Y820 HydrophobicContact CE-CE1 4.36Å; M818-Y820 HydrophobicContact CE-CE2 4.38Å; M818-Y820 VanDerWaalsContact CE-OH 3.24Å; M818-Y820 WeakPolarHBondContact CE-OH 3.3Å; M818-Y820 HydrophobicContact CG-CD2 4.32Å; M818-Y820 HydrophobicContact CG-CE2 3.82Å; M818-Y820 PolarHBondContact O-N 3.03Å; M818-I984 HydrophobicContact CB-CG2 4.19Å; M818-I984 HydrophobicContact CG-CG2 3.53Å; M818-G985 PolarHBondContact N-O 3.4Å; M818-M1010 HydrophobicContact SD-CG 3.98Å
819	P	88.3	Confident	89.9	Confident	16 Å²	16	19.8 Å²	19.8	10%	0.104	11%	0.106	C	C	.	.	S	Bend	trans	-77.9	50.3	-179.8	36.5	-39.2	0	0	0	112	E281 P284 A685	E281-P819 HydrophobicContact CG-CB 4.3Å; E281-P819 WeakPolarHBondContact OE1-CA 3.45Å; E281-P819 WeakPolarHBondContact OE1-CB 3.48Å; P284-P819 HydrophobicContact CG-CG 4.25Å; A685-P819 HydrophobicContact CB-CG 3.72Å
820	Y	90	Very high	91.2	Very high	8 Å²	8	13.4 Å²	13.4	3%	0.031	7%	0.07	C	C	.	.			trans	-111.2	160	-176.8	-54.1	-25.5	0	0	0	111.2	A685 I688 S689 A692 M818 Y824 I984 P986	A685-Y820 WeakPolarHBondContact O-CE1 3.4Å; A685-Y820 PolarHBondContact O-OH 3.21Å; I688-Y820 WeakPolarHBondContact CG2-OH 3.24Å; S689-Y820 PolarHBondContact N-OH 3.43Å; A692-Y820 HydrophobicContact CB-CE2 4.26Å; M818-Y820 HydrophobicContact CB-CD1 4.25Å; M818-Y820 HydrophobicContact CB-CD2 3.53Å; M818-Y820 HydrophobicContact CB-CE1 4.16Å; M818-Y820 HydrophobicContact CB-CE2 3.46Å; M818-Y820 VanDerWaalsContact CB-CE2 3.46Å; M818-Y820 HydrophobicContact CB-CG 3.93Å; M818-Y820 HydrophobicContact CE-CE1 4.36Å; M818-Y820 HydrophobicContact CE-CE2 4.38Å; M818-Y820 VanDerWaalsContact CE-OH 3.24Å; M818-Y820 WeakPolarHBondContact CE-OH 3.3Å; M818-Y820 HydrophobicContact CG-CD2 4.32Å; M818-Y820 HydrophobicContact CG-CE2 3.82Å; M818-Y820 PolarHBondContact O-N 3.03Å; Y820-Y824 HydrophobicContact CD2-CD2 4.24Å; Y820-Y824 AromaticContact CD2-CE2 3.83Å; Y820-Y824 HydrophobicContact CD2-CE2 3.83Å; Y820-Y824 HydrophobicContact CE2-CD2 4.47Å; Y820-Y824 HydrophobicContact CE2-CE2 4.15Å; Y820-I984 HydrophobicContact CD2-CG2 4.14Å; Y820-I984 HydrophobicContact CE2-CG2 3.69Å; Y820-P986 WeakPolarHBondContact O-CA 3.36Å; Y820-P986 WeakPolarHBondContact O-CB 3.33Å
821	T	86.1	Confident	91.9	Very high	51 Å²	51	12.3 Å²	12.3	31%	0.313	7%	0.065	S	C	.	.	S	Bend	trans	-106.2	1.1	174.6	67.4	0	0	0	0	113.6	K175 S179	K175-T821 WeakPolarHBondContact CG-OG1 3.12Å; K175-T821 PolarHBondContact O-OG1 3.15Å; S179-T821 PolarHBondContact OG-N 3.41Å; S179-T821 PolarHBondContact OG-OG1 3.44Å
822	V	89.5	Confident	92.4	Very high	5 Å²	5	11.5 Å²	11.5	3%	0.03	6%	0.058	C	C	.	.	S	Bend	trans	-136.1	165.6	179.9	-63.9	0	0	0	0	110.1	Y824 R882 P986	V822-Y824 HydrophobicContact CG2-CE2 4.22Å; V822-R882 HydrophobicContact CB-CB 4.41Å; V822-R882 HydrophobicContact CG2-CB 4.09Å; V822-R882 HydrophobicContact CG2-CG 4.17Å; V822-P986 WeakPolarHBondContact O-CD 3.3Å
823	H	94.7	Very high	92.9	Very high	19 Å²	19	8.9 Å²	8.9	9%	0.088	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-108.1	162	-179.3	-53.6	83.6	0	0	0	113	R882 D883 P886 V983 I984 P986	H823-R882 PolarHBondContact O-N 2.88Å; H823-D883 HydrophobicContact CB-CB 4.41Å; H823-D883 VanDerWaalsContact CB-O 3.29Å; H823-D883 WeakPolarHBondContact CB-O 3.49Å; H823-D883 PolarHBondContact N-O 2.84Å; H823-D883 PolarHBondContact ND1-O 2.78Å; H823-D883 WeakPolarHBondContact O-CB 3.45Å; H823-D883 PolarHBondContact O-N 3.13Å; H823-P886 HydrophobicContact CB-CB 3.96Å; H823-P886 HydrophobicContact CB-CG 3.93Å; H823-V983 HydrophobicContact CB-CG1 4.36Å; H823-I984 CarbonylContact C-O 3.53Å; H823-I984 VanDerWaalsContact CA-O 3.27Å; H823-I984 WeakPolarHBondContact CA-O 2.99Å; H823-P986 WeakPolarHBondContact NE2-CD 3.33Å; H823-P986 WeakPolarHBondContact NE2-CG 3.47Å
824	Y	96.7	Very high	93.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	105.5	171	-54.3	-86	0	0	0	107.4	S689 A692 H693 Y820 V822 Y881 R882 V983 I984	S689-Y824 PolarHBondContact O-OH 2.81Å; S689-Y824 VanDerWaalsContact O-OH 3.12Å; A692-Y824 HydrophobicContact CB-CD1 3.92Å; A692-Y824 HydrophobicContact CB-CD2 3.31Å; A692-Y824 HydrophobicContact CB-CE1 4.12Å; A692-Y824 HydrophobicContact CB-CE2 3.51Å; A692-Y824 HydrophobicContact CB-CG 3.51Å; H693-Y824 HydrophobicContact CB-CD1 4.13Å; Y820-Y824 HydrophobicContact CD2-CD2 4.24Å; Y820-Y824 AromaticContact CD2-CE2 3.83Å; Y820-Y824 HydrophobicContact CD2-CE2 3.83Å; Y820-Y824 HydrophobicContact CE2-CD2 4.47Å; Y820-Y824 HydrophobicContact CE2-CE2 4.15Å; V822-Y824 HydrophobicContact CG2-CE2 4.22Å; Y824-Y881 AromaticContact CD1-CD2 3.62Å; Y824-Y881 HydrophobicContact CD1-CD2 3.62Å; Y824-Y881 HydrophobicContact CD1-CE2 4.19Å; Y824-Y881 AromaticContact CE1-CD2 3.3Å; Y824-Y881 HydrophobicContact CE1-CD2 3.3Å; Y824-Y881 AromaticContact CE1-CE2 3.48Å; Y824-Y881 HydrophobicContact CE1-CE2 3.48Å; Y824-Y881 VanDerWaalsContact CE1-CE2 3.48Å; Y824-Y881 HydrophobicContact CE1-CG 4.36Å; Y824-R882 HydrophobicContact CE1-CG 4.01Å; Y824-V983 WeakPolarHBondContact O-CA 3.34Å; Y824-I984 HydrophobicContact CD2-CB 4.46Å; Y824-I984 PolarHBondContact N-O 3.2Å; Y824-I984 PolarHBondContact O-N 3.39Å
825	A	97.2	Very high	93.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.9	-179.8	0	0	0	0	0	110.6	Y879 S880 P886 T889 L890 F893 V982 V983	A825-Y879 CarbonylContact O-C 3.5Å; A825-Y879 VanDerWaalsContact O-CA 3.23Å; A825-Y879 WeakPolarHBondContact O-CA 3.34Å; A825-S880 WeakPolarHBondContact CB-OG 3.26Å; A825-S880 PolarHBondContact N-OG 2.9Å; A825-S880 PolarHBondContact O-N 2.71Å; A825-P886 HydrophobicContact CB-CB 4.23Å; A825-T889 HydrophobicContact CB-CG2 4.2Å; A825-L890 HydrophobicContact CB-CD2 4.31Å; A825-F893 HydrophobicContact CB-CE2 4.44Å; A825-V982 CarbonylContact C-O 3.55Å; A825-V982 WeakPolarHBondContact CA-O 3.4Å; A825-V983 HydrophobicContact CB-CG2 4.09Å
826	A	98.2	Very high	93	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150	174.1	0	0	0	0	0	112.2	A696 M697 A700 F878 H981 V982	A696-A826 VanDerWaalsContact C-CB 3.46Å; A696-A826 HydrophobicContact CB-CB 3.75Å; M697-A826 HydrophobicContact CB-CB 4.48Å; M697-A826 HydrophobicContact CG-CB 3.98Å; A700-A826 HydrophobicContact CB-CB 4.13Å; A826-F878 CarbonylContact C-O 3.32Å; A826-F878 WeakPolarHBondContact CA-O 3.44Å; A826-H981 WeakPolarHBondContact O-CA 3.43Å; A826-V982 PolarHBondContact N-O 3.13Å; A826-V982 PolarHBondContact O-N 2.9Å
827	K	96.7	Very high	92.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.1	168.6	177.3	-179.3	-172.1	112.2	0	108.6	I829 L877 F878 F893 E894 V979 G980 H981	K827-I829 HydrophobicContact CG-CG1 4.44Å; K827-L877 CarbonylContact O-C 3.53Å; K827-L877 WeakPolarHBondContact O-CA 3.37Å; K827-F878 HydrophobicContact CB-CB 4.15Å; K827-F878 HydrophobicContact CB-CD2 4.32Å; K827-F878 HydrophobicContact CG-CD2 4.43Å; K827-F878 PolarHBondContact N-O 2.91Å; K827-F878 PolarHBondContact O-N 2.76Å; K827-F893 HydrophobicContact CB-CD2 3.68Å; K827-F893 HydrophobicContact CB-CE2 4.3Å; K827-F893 HydrophobicContact CB-CG 4.44Å; K827-F893 HydrophobicContact CD-CB 3.94Å; K827-E894 VanDerWaalsContact NZ-CG 3.31Å; K827-E894 IonicContact NZ-OE1 2.6Å; K827-E894 PolarHBondContact NZ-OE1 3.02Å; K827-V979 HydrophobicContact CG-CG1 4.31Å; K827-G980 CarbonylContact C-O 3.52Å; K827-G980 VanDerWaalsContact CA-O 3.31Å; K827-G980 WeakPolarHBondContact CA-O 3.36Å; K827-H981 PolarHBondContact NZ-NE2 3.02Å
828	A	96.1	Very high	93	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.6	174.7	0	0	0	0	0	109.8	A700 A701 L704 L876 L877 V979 G980	A700-A828 VanDerWaalsContact C-CB 3.48Å; A700-A828 HydrophobicContact CB-CB 3.94Å; A700-A828 WeakPolarHBondContact O-CB 3.47Å; A701-A828 HydrophobicContact CB-CB 3.71Å; L704-A828 HydrophobicContact CD1-CB 3.72Å; A828-L876 WeakPolarHBondContact CA-O 3.44Å; A828-L877 HydrophobicContact CB-CD2 3.61Å; A828-V979 VanDerWaalsContact O-CA 3.26Å; A828-V979 WeakPolarHBondContact O-CA 3.38Å; A828-G980 PolarHBondContact N-O 3.42Å; A828-G980 PolarHBondContact O-N 3.26Å
829	I	94.2	Very high	93.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.4	176.3	-55.3	175.6	0	0	0	107.4	K827 A831 A875 L876 F878 I897 I966 L970 N978 V979	K827-I829 HydrophobicContact CG-CG1 4.44Å; I829-A831 PolarHBondContact O-N 2.8Å; I829-A875 CarbonylContact O-C 3.24Å; I829-A875 WeakPolarHBondContact O-CA 3.41Å; I829-L876 HydrophobicContact CB-CB 4.47Å; I829-L876 PolarHBondContact N-O 3.27Å; I829-L876 PolarHBondContact O-N 2.86Å; I829-F878 HydrophobicContact CD1-CE2 3.89Å; I829-F878 HydrophobicContact CG1-CE2 4.46Å; I829-I897 HydrophobicContact CD1-CD1 3.32Å; I829-I966 HydrophobicContact CD1-CG2 3.93Å; I829-I966 HydrophobicContact CG2-CG2 4.24Å; I829-L970 HydrophobicContact CD1-CD1 4.1Å; I829-L970 HydrophobicContact CD1-CD2 4.1Å; I829-L970 HydrophobicContact CD1-CG 4.49Å; I829-L970 HydrophobicContact CG1-CD2 4.42Å; I829-N978 WeakPolarHBondContact CA-O 3.14Å; I829-V979 HydrophobicContact CG1-CG1 4.45Å
830	E	91.9	Very high	93.7	Very high	34 Å²	34	19.9 Å²	19.9	16%	0.159	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	133	176.6	-170.6	-155	140.7	0	0	111.8	K628 L704 K969 N978	K628-E830 HydrophobicContact CD-CG 4.28Å; K628-E830 WeakPolarHBondContact CD-OE1 3.32Å; K628-E830 WeakPolarHBondContact CE-OE1 3.49Å; K628-E830 IonicContact NZ-OE1 2.84Å; K628-E830 PolarHBondContact NZ-OE1 3.2Å; L704-E830 HydrophobicContact CD2-CB 4.31Å; E830-K969 IonicContact OE1-NZ 3.03Å; E830-K969 IonicContact OE2-NZ 2.72Å; E830-K969 PolarHBondContact OE2-NZ 3.03Å; E830-N978 HydrophobicContact CB-CB 4.4Å; E830-N978 PolarHBondContact N-O 2.81Å; E830-N978 VanDerWaalsContact N-O 3.13Å; E830-N978 PolarHBondContact OE2-OD1 3.24Å
831	A	92.6	Very high	94.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	11%	0.105	C	C	.	.			trans	-124.9	168.4	176.8	0	0	0	0	0	111.9	K628 I829 Y842 E874 L876	K628-A831 PolarHBondContact NZ-O 3.47Å; I829-A831 PolarHBondContact O-N 2.8Å; A831-Y842 HydrophobicContact CB-CD1 3.61Å; A831-Y842 HydrophobicContact CB-CE1 3.79Å; A831-Y842 HydrophobicContact CB-CG 4.39Å; A831-E874 PolarHBondContact N-O 2.81Å; A831-E874 CarbonylContact O-C 3.56Å; A831-E874 VanDerWaalsContact O-CA 3.3Å; A831-E874 WeakPolarHBondContact O-CA 3.14Å; A831-L876 HydrophobicContact CB-CB 4.32Å
832	P	92.6	Very high	94.6	Very high	18 Å²	18	17.9 Å²	17.9	12%	0.117	9%	0.093	C	C	.	.			trans	-63.5	160.9	174.9	-22.1	34.3	0	0	0	113.8	A836 D838 Y842 E874	P832-A836 HydrophobicContact CB-CB 3.68Å; P832-D838 HydrophobicContact CG-CB 4.07Å; P832-Y842 HydrophobicContact CG-CD2 3.95Å; P832-Y842 HydrophobicContact CG-CE2 3.77Å; P832-E874 PolarHBondContact O-N 2.66Å
833	S	92.5	Very high	95.1	Very high	11 Å²	11	19.1 Å²	19.1	8%	0.077	10%	0.098	C	C	.	.			trans	-72.1	167.9	170.3	55.6	0	0	0	0	111.4	S625 D835 A836 Y839	S625-S833 WeakPolarHBondContact CB-OG 2.8Å; S625-S833 PolarHBondContact OG-OG 2.98Å; S833-D835 VanDerWaalsContact C-N 3.29Å; S833-D835 WeakPolarHBondContact CB-OD1 3.25Å; S833-D835 PolarHBondContact O-N 3.04Å; S833-D835 PolarHBondContact OG-OD1 3.45Å; S833-A836 WeakPolarHBondContact O-CB 3.2Å; S833-A836 PolarHBondContact O-N 3Å; S833-Y839 WeakPolarHBondContact O-CB 3.41Å
834	Y	93.4	Very high	95.2	Very high	28 Å²	28	18.2 Å²	18.2	11%	0.11	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.9	-176.9	-174.3	-86.7	0	0	0	113.6	A836 Y839 P873 I939 L943 H947	Y834-A836 VanDerWaalsContact C-N 3.31Å; Y834-A836 PolarHBondContact O-N 3Å; Y834-Y839 HydrophobicContact CD2-CD1 4.27Å; Y834-Y839 AromaticContact CD2-CE1 3.75Å; Y834-Y839 HydrophobicContact CD2-CE1 3.75Å; Y834-Y839 HydrophobicContact CE2-CE1 4.35Å; Y834-Y839 HydrophobicContact CG-CE1 4.44Å; Y834-P873 HydrophobicContact CD2-CG 4.34Å; Y834-I939 HydrophobicContact CD1-CD1 4Å; Y834-I939 HydrophobicContact CD1-CG1 4.07Å; Y834-I939 HydrophobicContact CD1-CG2 4.41Å; Y834-I939 HydrophobicContact CD2-CD1 4.05Å; Y834-I939 HydrophobicContact CE1-CD1 4.03Å; Y834-I939 HydrophobicContact CE1-CG1 4.13Å; Y834-I939 HydrophobicContact CE1-CG2 3.68Å; Y834-I939 HydrophobicContact CE2-CD1 4.08Å; Y834-I939 HydrophobicContact CG-CD1 4.02Å; Y834-L943 HydrophobicContact CD1-CD2 3.89Å; Y834-L943 HydrophobicContact CD1-CG 4.07Å; Y834-L943 HydrophobicContact CE1-CD2 4.12Å; Y834-L943 HydrophobicContact CE1-CG 3.91Å; Y834-H947 HydrophobicContact CE1-CB 4.3Å; Y834-H947 AromaticContact CE2-CD2 3.86Å; Y834-H947 AromaticContact CZ-CD2 3.72Å
835	D	92.4	Very high	95.3	Very high	44 Å²	44	18.3 Å²	18.3	24%	0.235	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.9	-178.3	60.5	-32.8	0	0	0	114.1	P624 S625 S833 L943	P624-D835 WeakPolarHBondContact CA-OD2 3.39Å; S625-D835 WeakPolarHBondContact CB-OD1 3.48Å; S625-D835 PolarHBondContact N-OD2 3.03Å; S625-D835 PolarHBondContact OG-OD1 3.29Å; S625-D835 PolarHBondContact OG-OD2 3.18Å; S833-D835 VanDerWaalsContact C-N 3.29Å; S833-D835 WeakPolarHBondContact CB-OD1 3.25Å; S833-D835 PolarHBondContact O-N 3.04Å; S833-D835 PolarHBondContact OG-OD1 3.45Å; D835-L943 HydrophobicContact CB-CD1 4.1Å; D835-L943 HydrophobicContact CB-CD2 4.38Å
836	A	93	Very high	95.4	Very high	30 Å²	30	18.4 Å²	18.4	25%	0.248	9%	0.094	C	C	.	.	S	Bend	trans	-85.5	136.5	179.2	0	0	0	0	0	112.3	P832 S833 Y834 D838 Y839	P832-A836 HydrophobicContact CB-CB 3.68Å; S833-A836 WeakPolarHBondContact O-CB 3.2Å; S833-A836 PolarHBondContact O-N 3Å; Y834-A836 VanDerWaalsContact C-N 3.31Å; Y834-A836 PolarHBondContact O-N 3Å; A836-D838 VanDerWaalsContact C-N 3.3Å; A836-D838 PolarHBondContact O-N 3.17Å; A836-Y839 VanDerWaalsContact O-CB 3.25Å; A836-Y839 WeakPolarHBondContact O-CB 3.48Å; A836-Y839 PolarHBondContact O-N 3.33Å
837	E	91.2	Very high	95.3	Very high	101 Å²	101	21 Å²	21	47%	0.472	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-38.4	-177.5	-167.9	-170.9	159.7	0	0	113.7	Y839 Q950 R958	E837-Y839 PolarHBondContact O-N 3.3Å; E837-Q950 HydrophobicContact CG-CG 4.24Å; E837-R958 IonicContact OE1-CZ 2.64Å; E837-R958 IonicContact OE1-NH1 3.58Å; E837-R958 PolarHBondContact OE1-NH1 3.12Å; E837-R958 IonicContact OE1-NH2 3.14Å; E837-R958 PolarHBondContact OE1-NH2 2.95Å
838	D	93.9	Very high	95.3	Very high	55 Å²	55	21 Å²	21	29%	0.294	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.2	-179.2	-86	-7	0	0	0	112.6	P832 A836 A840 S841 Y842 K965	P832-D838 HydrophobicContact CG-CB 4.07Å; A836-D838 VanDerWaalsContact C-N 3.3Å; A836-D838 PolarHBondContact O-N 3.17Å; D838-A840 VanDerWaalsContact C-N 3.32Å; D838-A840 PolarHBondContact O-N 3.08Å; D838-S841 WeakPolarHBondContact O-CB 3.26Å; D838-S841 PolarHBondContact O-N 3.37Å; D838-Y842 WeakPolarHBondContact O-CD2 3.16Å; D838-Y842 PolarHBondContact O-N 3.07Å; D838-K965 IonicContact OD2-NZ 2.77Å; D838-K965 PolarHBondContact OD2-NZ 2.81Å
839	Y	96.4	Very high	95.4	Very high	9 Å²	9	21 Å²	21	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-37.4	-175.9	-178	-122.9	0	0	0	112.8	S833 Y834 A836 E837 S841 Y842 R843 A871 K872 P873 H947	S833-Y839 WeakPolarHBondContact O-CB 3.41Å; Y834-Y839 HydrophobicContact CD2-CD1 4.27Å; Y834-Y839 AromaticContact CD2-CE1 3.75Å; Y834-Y839 HydrophobicContact CD2-CE1 3.75Å; Y834-Y839 HydrophobicContact CE2-CE1 4.35Å; Y834-Y839 HydrophobicContact CG-CE1 4.44Å; A836-Y839 VanDerWaalsContact O-CB 3.25Å; A836-Y839 WeakPolarHBondContact O-CB 3.48Å; A836-Y839 PolarHBondContact O-N 3.33Å; E837-Y839 PolarHBondContact O-N 3.3Å; Y839-S841 VanDerWaalsContact C-N 3.28Å; Y839-S841 PolarHBondContact O-N 3.44Å; Y839-Y842 WeakPolarHBondContact O-CB 3.21Å; Y839-Y842 PolarHBondContact O-N 2.9Å; Y839-Y842 VanDerWaalsContact O-N 3.13Å; Y839-R843 HydrophobicContact CE1-CG 4.16Å; Y839-R843 HydrophobicContact CE2-CG 4.2Å; Y839-R843 PolarHBondContact O-N 3.27Å; Y839-R843 VanDerWaalsContact O-N 3.07Å; Y839-A871 HydrophobicContact CE2-CB 4.48Å; Y839-A871 PolarHBondContact OH-O 3.49Å; Y839-K872 WeakPolarHBondContact OH-CA 3.41Å; Y839-P873 HydrophobicContact CE1-CG 4.45Å; Y839-P873 WeakPolarHBondContact OH-CD 3.43Å; Y839-H947 AromaticContact CD1-CE1 3.43Å; Y839-H947 VanDerWaalsContact CD1-CE1 3.43Å; Y839-H947 WeakPolarHBondContact CD1-CE1 3.46Å; Y839-H947 AromaticContact CD1-NE2 3.87Å; Y839-H947 AromaticContact CE1-CE1 3.89Å; Y839-H947 AromaticContact CE1-NE2 3.87Å
840	A	98	Very high	95.5	Very high	1 Å²	1	22 Å²	22	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-56	-43	173.3	0	0	0	0	0	111.9	D838 Y842 R843 V844 Q950 V951 V954	D838-A840 VanDerWaalsContact C-N 3.32Å; D838-A840 PolarHBondContact O-N 3.08Å; A840-Y842 VanDerWaalsContact C-N 3.35Å; A840-Y842 PolarHBondContact O-N 3.31Å; A840-R843 PolarHBondContact O-N 3.43Å; A840-V844 WeakPolarHBondContact O-CG2 3.44Å; A840-V844 PolarHBondContact O-N 3.19Å; A840-V844 VanDerWaalsContact O-N 3.1Å; A840-Q950 HydrophobicContact CB-CB 3.68Å; A840-V951 HydrophobicContact CB-CG2 3.8Å; A840-V954 HydrophobicContact CB-CG2 4.04Å
841	S	98.2	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-36	177.6	-55.7	0	0	0	0	112.3	D838 Y839 L845 I959	D838-S841 WeakPolarHBondContact O-CB 3.26Å; D838-S841 PolarHBondContact O-N 3.37Å; Y839-S841 VanDerWaalsContact C-N 3.28Å; Y839-S841 PolarHBondContact O-N 3.44Å; S841-L845 VanDerWaalsContact O-CB 3.23Å; S841-L845 WeakPolarHBondContact O-CB 3.34Å; S841-L845 PolarHBondContact O-N 2.86Å; S841-I959 WeakPolarHBondContact O-CD1 3.05Å
842	Y	98.2	Very high	95.6	Very high	17 Å²	17	25.7 Å²	25.7	7%	0.067	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-39.3	174.7	-86.5	-110.8	0	0	0	112.1	A831 P832 D838 Y839 A840 L845 A846 L876 V962 I966	A831-Y842 HydrophobicContact CB-CD1 3.61Å; A831-Y842 HydrophobicContact CB-CE1 3.79Å; A831-Y842 HydrophobicContact CB-CG 4.39Å; P832-Y842 HydrophobicContact CG-CD2 3.95Å; P832-Y842 HydrophobicContact CG-CE2 3.77Å; D838-Y842 WeakPolarHBondContact O-CD2 3.16Å; D838-Y842 PolarHBondContact O-N 3.07Å; Y839-Y842 WeakPolarHBondContact O-CB 3.21Å; Y839-Y842 PolarHBondContact O-N 2.9Å; Y839-Y842 VanDerWaalsContact O-N 3.13Å; A840-Y842 VanDerWaalsContact C-N 3.35Å; A840-Y842 PolarHBondContact O-N 3.31Å; Y842-L845 PolarHBondContact O-N 2.71Å; Y842-A846 WeakPolarHBondContact O-CB 3.44Å; Y842-A846 PolarHBondContact O-N 3.45Å; Y842-L876 HydrophobicContact CD1-CB 4.28Å; Y842-L876 HydrophobicContact CD1-CD2 4.49Å; Y842-V962 HydrophobicContact CD2-CB 4.32Å; Y842-V962 HydrophobicContact CD2-CG1 4.23Å; Y842-V962 HydrophobicContact CE2-CB 3.98Å; Y842-V962 HydrophobicContact CE2-CG1 3.96Å; Y842-I966 HydrophobicContact CD1-CD1 4.44Å; Y842-I966 HydrophobicContact CE1-CD1 3.77Å; Y842-I966 HydrophobicContact CE1-CG1 4.12Å
843	R	98.2	Very high	95.7	Very high	31 Å²	31	26.3 Å²	26.3	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-47.2	175.7	-66.3	-173.7	71.6	-163.8	1.4	111.7	Y839 A840 A846 H847 A871 V917 L921 H947	Y839-R843 HydrophobicContact CE1-CG 4.16Å; Y839-R843 HydrophobicContact CE2-CG 4.2Å; Y839-R843 PolarHBondContact O-N 3.27Å; Y839-R843 VanDerWaalsContact O-N 3.07Å; A840-R843 PolarHBondContact O-N 3.43Å; R843-A846 PolarHBondContact O-N 2.86Å; R843-H847 PolarHBondContact O-CD2 3.35Å; R843-H847 VanDerWaalsContact O-CD2 3.27Å; R843-H847 PolarHBondContact O-N 3.27Å; R843-A871 HydrophobicContact CG-CB 4.06Å; R843-V917 HydrophobicContact CB-CG1 4.33Å; R843-V917 HydrophobicContact CB-CG2 3.82Å; R843-V917 PolarHBondContact NH2-O 2.93Å; R843-L921 VanDerWaalsContact NH1-CD2 3.28Å; R843-H947 PolarHBondContact NH1-NE2 3.38Å
844	V	98.2	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-43.6	176.7	176.9	0	0	0	0	110.7	A840 A846 H847 L848 A913 K914 V917 V951 V954 I959	A840-V844 WeakPolarHBondContact O-CG2 3.44Å; A840-V844 PolarHBondContact O-N 3.19Å; A840-V844 VanDerWaalsContact O-N 3.1Å; V844-A846 PolarHBondContact O-N 3.1Å; V844-H847 PolarHBondContact O-N 3.07Å; V844-L848 HydrophobicContact CG1-CD1 4.24Å; V844-L848 WeakPolarHBondContact O-CG 3.32Å; V844-L848 PolarHBondContact O-N 3.32Å; V844-L848 VanDerWaalsContact O-N 3.08Å; V844-A913 HydrophobicContact CG1-CB 3.64Å; V844-K914 HydrophobicContact CG2-CG 4.13Å; V844-V917 HydrophobicContact CG2-CG2 4.05Å; V844-V951 HydrophobicContact CG2-CG1 4.47Å; V844-V954 HydrophobicContact CB-CG1 4.01Å; V844-V954 HydrophobicContact CG1-CG1 3.95Å; V844-V954 HydrophobicContact CG2-CB 4.17Å; V844-V954 HydrophobicContact CG2-CG1 4.07Å; V844-V954 HydrophobicContact CG2-CG2 4.07Å; V844-I959 HydrophobicContact CB-CD1 3.92Å; V844-I959 HydrophobicContact CG1-CD1 3.74Å; V844-I959 HydrophobicContact CG1-CG1 4.35Å
845	L	98.3	Very high	95.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-44.3	175.2	175.7	66	0	0	0	112	S841 Y842 H847 L848 L849 A900 I959 V962 A963 I966	S841-L845 VanDerWaalsContact O-CB 3.23Å; S841-L845 WeakPolarHBondContact O-CB 3.34Å; S841-L845 PolarHBondContact O-N 2.86Å; Y842-L845 PolarHBondContact O-N 2.71Å; L845-H847 VanDerWaalsContact C-N 3.3Å; L845-H847 PolarHBondContact O-N 3.46Å; L845-L848 WeakPolarHBondContact O-CB 3.45Å; L845-L848 PolarHBondContact O-N 3.5Å; L845-L849 HydrophobicContact CD1-CD1 4.09Å; L845-L849 HydrophobicContact CD1-CD2 4.31Å; L845-L849 HydrophobicContact CD1-CG 3.92Å; L845-L849 HydrophobicContact CD2-CD1 4.3Å; L845-L849 HydrophobicContact CG-CD1 3.79Å; L845-L849 HydrophobicContact CG-CG 4.1Å; L845-L849 WeakPolarHBondContact O-CB 3.25Å; L845-L849 VanDerWaalsContact O-CG 3.26Å; L845-L849 WeakPolarHBondContact O-CG 3.46Å; L845-L849 PolarHBondContact O-N 2.99Å; L845-A900 HydrophobicContact CD1-CB 3.86Å; L845-I959 HydrophobicContact CB-CD1 4.26Å; L845-I959 HydrophobicContact CD1-CG2 3.97Å; L845-V962 HydrophobicContact CB-CG2 4.47Å; L845-V962 HydrophobicContact CD2-CG2 4.03Å; L845-A963 HydrophobicContact CD1-CB 4.39Å; L845-A963 HydrophobicContact CD2-CB 4.49Å; L845-I966 HydrophobicContact CD2-CD1 3.68Å
846	A	98.3	Very high	96	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-40.6	-179.3	0	0	0	0	0	112.3	Y842 R843 V844 S850 A869 A871 L876	Y842-A846 WeakPolarHBondContact O-CB 3.44Å; Y842-A846 PolarHBondContact O-N 3.45Å; R843-A846 PolarHBondContact O-N 2.86Å; V844-A846 PolarHBondContact O-N 3.1Å; A846-S850 WeakPolarHBondContact O-CB 3.38Å; A846-S850 PolarHBondContact O-N 2.93Å; A846-S850 PolarHBondContact O-OG 3.32Å; A846-A869 HydrophobicContact CB-CB 4.35Å; A846-A871 HydrophobicContact CB-CB 3.99Å; A846-L876 HydrophobicContact CB-CD1 3.84Å
847	H	97.3	Very high	96	Very high	56 Å²	56	26.6 Å²	26.6	26%	0.259	12%	0.121	S	C	.	.	H	α-helix	trans	-64.9	-49.6	173.2	-73.8	-73.3	0	0	0	111	R843 V844 L845 L849 S850 F851 A913 S916	R843-H847 PolarHBondContact O-CD2 3.35Å; R843-H847 VanDerWaalsContact O-CD2 3.27Å; R843-H847 PolarHBondContact O-N 3.27Å; V844-H847 PolarHBondContact O-N 3.07Å; L845-H847 VanDerWaalsContact C-N 3.3Å; L845-H847 PolarHBondContact O-N 3.46Å; H847-L849 VanDerWaalsContact C-N 3.31Å; H847-L849 PolarHBondContact O-N 3.13Å; H847-S850 WeakPolarHBondContact O-CA 3.36Å; H847-S850 WeakPolarHBondContact O-CB 3.18Å; H847-S850 PolarHBondContact O-N 3.13Å; H847-F851 HydrophobicContact CB-CD1 4.14Å; H847-F851 HydrophobicContact CB-CE1 3.84Å; H847-F851 WeakPolarHBondContact O-CD1 2.85Å; H847-F851 VanDerWaalsContact O-CE1 3.26Å; H847-F851 WeakPolarHBondContact O-CE1 3.46Å; H847-F851 PolarHBondContact O-N 3.3Å; H847-A913 HydrophobicContact CB-CB 4.09Å; H847-S916 VanDerWaalsContact CE1-CB 3.4Å; H847-S916 WeakPolarHBondContact CE1-CB 3.43Å; H847-S916 VanDerWaalsContact ND1-CB 3.33Å; H847-S916 WeakPolarHBondContact ND1-CB 3.45Å
848	L	97.2	Very high	96.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-53.9	-46.4	177.2	-70.7	168.4	0	0	0	112.4	V844 L845 S850 F851 K852 F905 D909 I910 A913 I959	V844-L848 HydrophobicContact CG1-CD1 4.24Å; V844-L848 WeakPolarHBondContact O-CG 3.32Å; V844-L848 PolarHBondContact O-N 3.32Å; V844-L848 VanDerWaalsContact O-N 3.08Å; L845-L848 WeakPolarHBondContact O-CB 3.45Å; L845-L848 PolarHBondContact O-N 3.5Å; L848-S850 VanDerWaalsContact C-N 3.32Å; L848-S850 PolarHBondContact O-N 3.24Å; L848-F851 HydrophobicContact CD2-CE1 4.45Å; L848-F851 HydrophobicContact CD2-CE2 4.47Å; L848-F851 HydrophobicContact CD2-CZ 3.8Å; L848-K852 HydrophobicContact CD2-CG 4.38Å; L848-K852 WeakPolarHBondContact O-CB 3.33Å; L848-K852 WeakPolarHBondContact O-CG 3.49Å; L848-K852 PolarHBondContact O-N 3.19Å; L848-F905 HydrophobicContact CB-CE1 4.12Å; L848-F905 HydrophobicContact CD1-CD1 4.12Å; L848-F905 HydrophobicContact CD1-CE1 4.05Å; L848-F905 HydrophobicContact CD1-CG 4.41Å; L848-F905 HydrophobicContact CD1-CZ 4.31Å; L848-F905 HydrophobicContact CD2-CD1 3.94Å; L848-F905 HydrophobicContact CD2-CE1 4.06Å; L848-F905 HydrophobicContact CG-CE1 4.32Å; L848-D909 HydrophobicContact CD2-CB 3.86Å; L848-D909 WeakPolarHBondContact CD2-O 3.34Å; L848-I910 HydrophobicContact CD1-CD1 3.82Å; L848-A913 HydrophobicContact CD2-CB 3.9Å; L848-A913 HydrophobicContact CG-CB 3.74Å; L848-I959 HydrophobicContact CD1-CD1 4.31Å; L848-I959 HydrophobicContact CD1-CG1 4.03Å; L848-I959 HydrophobicContact CD1-CG2 3.78Å
849	L	98	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-44.5	176.3	-69	170.7	0	0	0	111.2	L845 H847 Y853 L854 A869 F878 A896 A900	L845-L849 HydrophobicContact CD1-CD1 4.09Å; L845-L849 HydrophobicContact CD1-CD2 4.31Å; L845-L849 HydrophobicContact CD1-CG 3.92Å; L845-L849 HydrophobicContact CD2-CD1 4.3Å; L845-L849 HydrophobicContact CG-CD1 3.79Å; L845-L849 HydrophobicContact CG-CG 4.1Å; L845-L849 WeakPolarHBondContact O-CB 3.25Å; L845-L849 VanDerWaalsContact O-CG 3.26Å; L845-L849 WeakPolarHBondContact O-CG 3.46Å; L845-L849 PolarHBondContact O-N 2.99Å; H847-L849 VanDerWaalsContact C-N 3.31Å; H847-L849 PolarHBondContact O-N 3.13Å; L849-Y853 PolarHBondContact O-N 2.67Å; L849-L854 HydrophobicContact CB-CD1 4.16Å; L849-L854 WeakPolarHBondContact O-CB 3.32Å; L849-L854 VanDerWaalsContact O-CG 3.29Å; L849-L854 WeakPolarHBondContact O-CG 3.46Å; L849-L854 PolarHBondContact O-N 3.24Å; L849-A869 HydrophobicContact CB-CB 4.15Å; L849-A869 HydrophobicContact CD1-CB 4.44Å; L849-F878 HydrophobicContact CD1-CE1 3.93Å; L849-F878 HydrophobicContact CD1-CZ 3.87Å; L849-A896 HydrophobicContact CD2-CB 3.88Å; L849-A896 WeakPolarHBondContact CD2-O 3.47Å; L849-A900 HydrophobicContact CD2-CB 3.71Å
850	S	96.8	Very high	95.9	Very high	22 Å²	22	20.9 Å²	20.9	15%	0.154	9%	0.091	C	C	.	.	I	π-helix	trans	-61.1	-59.5	-179.5	-59.6	0	0	0	0	112.1	A846 H847 L848 L854 H855 A869	A846-S850 WeakPolarHBondContact O-CB 3.38Å; A846-S850 PolarHBondContact O-N 2.93Å; A846-S850 PolarHBondContact O-OG 3.32Å; H847-S850 WeakPolarHBondContact O-CA 3.36Å; H847-S850 WeakPolarHBondContact O-CB 3.18Å; H847-S850 PolarHBondContact O-N 3.13Å; L848-S850 VanDerWaalsContact C-N 3.32Å; L848-S850 PolarHBondContact O-N 3.24Å; S850-L854 PolarHBondContact O-N 3.32Å; S850-H855 WeakPolarHBondContact O-CB 3.49Å; S850-H855 PolarHBondContact O-N 3.48Å; S850-A869 PolarHBondContact OG-N 2.9Å; S850-A869 PolarHBondContact OG-O 3.43Å
851	F	92.8	Very high	95.5	Very high	41 Å²	41	22.2 Å²	22.2	18%	0.18	10%	0.097	C	C	.	.	I	π-helix	trans	-90	-22.2	-168	68.5	-103.4	0	0	0	114.5	H96 H847 L848 E912 A913	H96-F851 HydrophobicContact CB-CD1 4.25Å; H96-F851 HydrophobicContact CB-CE1 4.28Å; H96-F851 AromaticContact CE1-CD2 3.83Å; H96-F851 AromaticContact ND1-CD2 3.98Å; H96-F851 AromaticContact ND1-CG 3.83Å; H847-F851 HydrophobicContact CB-CD1 4.14Å; H847-F851 HydrophobicContact CB-CE1 3.84Å; H847-F851 WeakPolarHBondContact O-CD1 2.85Å; H847-F851 VanDerWaalsContact O-CE1 3.26Å; H847-F851 WeakPolarHBondContact O-CE1 3.46Å; H847-F851 PolarHBondContact O-N 3.3Å; L848-F851 HydrophobicContact CD2-CE1 4.45Å; L848-F851 HydrophobicContact CD2-CE2 4.47Å; L848-F851 HydrophobicContact CD2-CZ 3.8Å; F851-E912 HydrophobicContact CZ-CB 4.3Å; F851-A913 HydrophobicContact CE1-CB 3.97Å; F851-A913 HydrophobicContact CZ-CB 4.07Å
852	K	92.4	Very high	94.9	Very high	73 Å²	73	22.4 Å²	22.4	32%	0.317	10%	0.099	S	C	.	.	I	π-helix	trans	-92.8	-17.7	178.1	-58.1	-63.3	-59.7	-159.2	0	114	L848 W899 D909	L848-K852 HydrophobicContact CD2-CG 4.38Å; L848-K852 WeakPolarHBondContact O-CB 3.33Å; L848-K852 WeakPolarHBondContact O-CG 3.49Å; L848-K852 PolarHBondContact O-N 3.19Å; K852-W899 HydrophobicContact CB-CH2 3.33Å; K852-W899 HydrophobicContact CB-CZ2 3.99Å; K852-W899 HydrophobicContact CB-CZ3 4.12Å; K852-W899 HydrophobicContact CG-CH2 4.19Å; K852-D909 WeakPolarHBondContact CE-OD1 3.42Å; K852-D909 IonicContact NZ-OD1 2.84Å; K852-D909 PolarHBondContact NZ-OD1 2.81Å
853	Y	95.2	Very high	94.4	Very high	30 Å²	30	21.7 Å²	21.7	12%	0.118	10%	0.097	C	C	.	.	I	π-helix	trans	-134.2	-62.2	-174.3	-164.8	-85.2	0	0	0	112.9	L849 H855 R856 E857 N895 A896 W899	L849-Y853 PolarHBondContact O-N 2.67Å; Y853-H855 PolarHBondContact O-N 3.4Å; Y853-R856 PolarHBondContact O-N 3.04Å; Y853-E857 HydrophobicContact CD1-CG 4.01Å; Y853-E857 HydrophobicContact CE1-CG 3.7Å; Y853-E857 PolarHBondContact O-N 3.14Å; Y853-E857 VanDerWaalsContact O-N 3.13Å; Y853-N895 HydrophobicContact CE1-CB 4.3Å; Y853-N895 VanDerWaalsContact OH-CB 3.23Å; Y853-N895 WeakPolarHBondContact OH-CB 3.39Å; Y853-A896 HydrophobicContact CD1-CB 3.43Å; Y853-A896 VanDerWaalsContact CD1-CB 3.43Å; Y853-A896 HydrophobicContact CE1-CB 3.83Å; Y853-A896 HydrophobicContact CG-CB 4.07Å; Y853-W899 HydrophobicContact CD2-CB 3.84Å; Y853-W899 AromaticContact CD2-CD1 3.77Å; Y853-W899 AromaticContact CD2-CD2 3.38Å; Y853-W899 HydrophobicContact CD2-CD2 3.38Å; Y853-W899 AromaticContact CD2-CE2 3.85Å; Y853-W899 AromaticContact CD2-CE3 3.8Å; Y853-W899 HydrophobicContact CD2-CE3 3.8Å; Y853-W899 AromaticContact CD2-CG 3.36Å; Y853-W899 HydrophobicContact CD2-CG 3.36Å; Y853-W899 HydrophobicContact CE2-CB 3.65Å; Y853-W899 AromaticContact CE2-CD1 3.81Å; Y853-W899 HydrophobicContact CE2-CD2 4.09Å; Y853-W899 AromaticContact CE2-CG 3.54Å; Y853-W899 HydrophobicContact CE2-CG 3.54Å; Y853-W899 HydrophobicContact CG-CD2 4.09Å; Y853-W899 HydrophobicContact CG-CE3 4.03Å; Y853-W899 HydrophobicContact CG-CG 4.36Å
854	L	97.1	Very high	94.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-66.3	-41.3	-167.7	-66.5	171	0	0	0	113.1	L849 S850 R856 E857 I858 A869 F878 F893 A896	L849-L854 HydrophobicContact CB-CD1 4.16Å; L849-L854 WeakPolarHBondContact O-CB 3.32Å; L849-L854 VanDerWaalsContact O-CG 3.29Å; L849-L854 WeakPolarHBondContact O-CG 3.46Å; L849-L854 PolarHBondContact O-N 3.24Å; S850-L854 PolarHBondContact O-N 3.32Å; L854-R856 VanDerWaalsContact C-N 3.32Å; L854-R856 PolarHBondContact O-N 2.93Å; L854-E857 PolarHBondContact O-N 3.35Å; L854-I858 HydrophobicContact CB-CD1 4.16Å; L854-I858 HydrophobicContact CD2-CD1 3.89Å; L854-I858 VanDerWaalsContact O-CB 3.26Å; L854-I858 WeakPolarHBondContact O-CB 3.41Å; L854-I858 PolarHBondContact O-N 3.17Å; L854-A869 HydrophobicContact CD1-CB 3.86Å; L854-F878 HydrophobicContact CD1-CD1 3.74Å; L854-F878 HydrophobicContact CD1-CE1 4.04Å; L854-F893 HydrophobicContact CD2-CD1 3.83Å; L854-F893 HydrophobicContact CD2-CE1 4.41Å; L854-A896 HydrophobicContact CD2-CB 3.7Å; L854-A896 HydrophobicContact CG-CB 4.07Å
855	H	93.6	Very high	93.8	Very high	29 Å²	29	23.1 Å²	23.1	13%	0.134	10%	0.103	C	C	.	.	I	π-helix	trans	-54.2	-48.2	176.7	-175.7	76.1	0	0	0	111.7	D89 M92 S850 Y853 R859 E860	D89-H855 IonicContact OD2-CE1 3.42Å; D89-H855 IonicContact OD2-NE2 3.91Å; D89-H855 PolarHBondContact OD2-NE2 3.47Å; D89-H855 VanDerWaalsContact OD2-NE2 3.09Å; M92-H855 VanDerWaalsContact CE-CE1 3.42Å; M92-H855 WeakPolarHBondContact CE-CE1 3.39Å; S850-H855 WeakPolarHBondContact O-CB 3.49Å; S850-H855 PolarHBondContact O-N 3.48Å; Y853-H855 PolarHBondContact O-N 3.4Å; H855-R859 WeakPolarHBondContact O-CA 3.33Å; H855-R859 WeakPolarHBondContact O-CB 3.21Å; H855-R859 PolarHBondContact O-N 2.95Å; H855-E860 IonicContact CD2-OE1 3.91Å; H855-E860 PolarHBondContact O-N 3.03Å
856	R	92.7	Very high	93.6	Very high	64 Å²	64	23.9 Å²	23.9	24%	0.242	11%	0.111	C	C	.	.	I	π-helix	trans	-64.3	-47.7	178	-179.6	-179.4	73	-165	-2.6	112.4	Q516 Y853 L854 E860 K861	Q516-R856 WeakPolarHBondContact O-CD 3.48Å; Y853-R856 PolarHBondContact O-N 3.04Å; L854-R856 VanDerWaalsContact C-N 3.32Å; L854-R856 PolarHBondContact O-N 2.93Å; R856-E860 WeakPolarHBondContact CA-OE2 3.39Å; R856-E860 WeakPolarHBondContact CB-OE2 3.39Å; R856-E860 VanDerWaalsContact CG-OE2 3.3Å; R856-E860 WeakPolarHBondContact CG-OE2 3.21Å; R856-K861 HydrophobicContact CG-CD 4.26Å; R856-K861 WeakPolarHBondContact O-CB 3.25Å; R856-K861 WeakPolarHBondContact O-CG 3.29Å; R856-K861 PolarHBondContact O-N 3.04Å
857	E	94.9	Very high	93.4	Very high	27 Å²	27	24.6 Å²	24.6	13%	0.126	12%	0.118	C	C	.	.	I	π-helix	trans	-73.9	-35.5	-174.5	-60.2	-49.7	133.7	0	0	113.2	Y853 L854 K861 G862	Y853-E857 HydrophobicContact CD1-CG 4.01Å; Y853-E857 HydrophobicContact CE1-CG 3.7Å; Y853-E857 PolarHBondContact O-N 3.14Å; Y853-E857 VanDerWaalsContact O-N 3.13Å; L854-E857 PolarHBondContact O-N 3.35Å; E857-K861 VanDerWaalsContact CD-NZ 3.32Å; E857-K861 IonicContact OE1-NZ 3.25Å; E857-K861 PolarHBondContact OE1-NZ 2.96Å; E857-K861 VanDerWaalsContact OE2-CD 3.28Å; E857-K861 WeakPolarHBondContact OE2-CD 3.45Å; E857-K861 IonicContact OE2-NZ 3.44Å; E857-K861 PolarHBondContact OE2-NZ 2.84Å; E857-K861 VanDerWaalsContact OE2-NZ 3.11Å; E857-G862 PolarHBondContact O-N 2.9Å
858	I	94.7	Very high	93.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.107	C	C	.	.	I	π-helix	trans	-93.4	-50.6	-173.7	-64.1	171.7	0	0	0	111.7	L854 G862 G863 A864 T889 F893	L854-I858 HydrophobicContact CB-CD1 4.16Å; L854-I858 HydrophobicContact CD2-CD1 3.89Å; L854-I858 VanDerWaalsContact O-CB 3.26Å; L854-I858 WeakPolarHBondContact O-CB 3.41Å; L854-I858 PolarHBondContact O-N 3.17Å; I858-G862 CarbonylContact O-C 3.57Å; I858-G862 WeakPolarHBondContact O-CA 3.48Å; I858-G862 PolarHBondContact O-N 3.44Å; I858-G863 PolarHBondContact O-N 3.42Å; I858-A864 HydrophobicContact CG2-CB 3.66Å; I858-A864 WeakPolarHBondContact O-CB 3.49Å; I858-A864 PolarHBondContact O-N 3.1Å; I858-A864 VanDerWaalsContact O-N 3.16Å; I858-T889 HydrophobicContact CD1-CG2 3.89Å; I858-T889 HydrophobicContact CG1-CG2 4.17Å; I858-F893 HydrophobicContact CD1-CD1 4.03Å; I858-F893 HydrophobicContact CD1-CE1 3.45Å; I858-F893 VanDerWaalsContact CD1-CE1 3.45Å; I858-F893 HydrophobicContact CD1-CZ 4.38Å
859	R	93	Very high	93.5	Very high	34 Å²	34	22.3 Å²	22.3	13%	0.128	11%	0.109	C	C	.	.	I	π-helix	trans	-85	-61.9	-177.7	176.4	174	172.5	123.4	-4.7	111.7	E148 V169 H855 G863 A864 Y865	E148-R859 IonicContact OE2-CZ 2.75Å; E148-R859 IonicContact OE2-NH2 3.95Å; E148-R859 PolarHBondContact OE2-NH2 3.39Å; V169-R859 HydrophobicContact CG2-CG 4.26Å; H855-R859 WeakPolarHBondContact O-CA 3.33Å; H855-R859 WeakPolarHBondContact O-CB 3.21Å; H855-R859 PolarHBondContact O-N 2.95Å; R859-G863 VanDerWaalsContact O-CA 3.28Å; R859-G863 WeakPolarHBondContact O-CA 3.29Å; R859-G863 PolarHBondContact O-N 3.18Å; R859-A864 WeakPolarHBondContact CA-O 3.27Å; R859-A864 WeakPolarHBondContact CG-O 3.26Å; R859-Y865 PolarHBondContact NH1-O 3.12Å
860	E	90.6	Very high	93.5	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	12%	0.124	C	C	.	.	I	π-helix	trans	-64.9	-53	-171.9	-57.4	179.8	148.2	0	0	111.7	R88 Q516 H855 R856	R88-E860 IonicContact CZ-OE1 3.78Å; R88-E860 IonicContact CZ-OE2 2.74Å; R88-E860 IonicContact NE-OE1 3.45Å; R88-E860 PolarHBondContact NE-OE1 2.74Å; R88-E860 IonicContact NE-OE2 2.82Å; R88-E860 VanDerWaalsContact NH2-CD 3.3Å; R88-E860 IonicContact NH2-OE1 3.37Å; R88-E860 PolarHBondContact NH2-OE1 3.46Å; R88-E860 VanDerWaalsContact NH2-OE1 3.12Å; R88-E860 IonicContact NH2-OE2 3.24Å; R88-E860 PolarHBondContact NH2-OE2 3.15Å; Q516-E860 HydrophobicContact CG-CB 4.43Å; Q516-E860 PolarHBondContact NE2-O 3.12Å; H855-E860 IonicContact CD2-OE1 3.91Å; H855-E860 PolarHBondContact O-N 3.03Å; R856-E860 WeakPolarHBondContact CA-OE2 3.39Å; R856-E860 WeakPolarHBondContact CB-OE2 3.39Å; R856-E860 VanDerWaalsContact CG-OE2 3.3Å; R856-E860 WeakPolarHBondContact CG-OE2 3.21Å
861	K	88.9	Confident	93.5	Very high	30 Å²	30	24.7 Å²	24.7	13%	0.13	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-33.9	-179.6	-67.7	172.9	178.5	177.4	0	113.7	L513 Q516 N517 R856 E857	L513-K861 HydrophobicContact CD1-CG 4.44Å; Q516-K861 HydrophobicContact CB-CG 4.41Å; N517-K861 WeakPolarHBondContact OD1-CE 3.27Å; N517-K861 PolarHBondContact OD1-NZ 3.35Å; R856-K861 HydrophobicContact CG-CD 4.26Å; R856-K861 WeakPolarHBondContact O-CB 3.25Å; R856-K861 WeakPolarHBondContact O-CG 3.29Å; R856-K861 PolarHBondContact O-N 3.04Å; E857-K861 VanDerWaalsContact CD-NZ 3.32Å; E857-K861 IonicContact OE1-NZ 3.25Å; E857-K861 PolarHBondContact OE1-NZ 2.96Å; E857-K861 VanDerWaalsContact OE2-CD 3.28Å; E857-K861 WeakPolarHBondContact OE2-CD 3.45Å; E857-K861 IonicContact OE2-NZ 3.44Å; E857-K861 PolarHBondContact OE2-NZ 2.84Å; E857-K861 VanDerWaalsContact OE2-NZ 3.11Å
862	G	87.3	Confident	93.6	Very high	4 Å²	4	27 Å²	27	4%	0.041	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-27	-175.2	0	0	0	0	0	113.3	E857 I858 A864 P884 Y885	E857-G862 PolarHBondContact O-N 2.9Å; I858-G862 CarbonylContact O-C 3.57Å; I858-G862 WeakPolarHBondContact O-CA 3.48Å; I858-G862 PolarHBondContact O-N 3.44Å; G862-A864 VanDerWaalsContact C-N 3.3Å; G862-P884 VanDerWaalsContact O-CG 3.27Å; G862-P884 WeakPolarHBondContact O-CG 3.4Å; G862-Y885 WeakPolarHBondContact O-CD2 3.49Å
863	G	87.7	Confident	93.6	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.021	13%	0.127	C	C	.	.			trans	78.5	8	-176.6	0	0	0	0	0	114.2	N172 I858 R859	N172-G863 PolarHBondContact ND2-O 3.45Å; I858-G863 PolarHBondContact O-N 3.42Å; R859-G863 VanDerWaalsContact O-CA 3.28Å; R859-G863 WeakPolarHBondContact O-CA 3.29Å; R859-G863 PolarHBondContact O-N 3.18Å
864	A	92.1	Very high	93.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.			trans	-66.8	150.1	171.4	0	0	0	0	0	110.2	I858 R859 G862 D883	I858-A864 HydrophobicContact CG2-CB 3.66Å; I858-A864 WeakPolarHBondContact O-CB 3.49Å; I858-A864 PolarHBondContact O-N 3.1Å; I858-A864 VanDerWaalsContact O-N 3.16Å; R859-A864 WeakPolarHBondContact CA-O 3.27Å; R859-A864 WeakPolarHBondContact CG-O 3.26Å; G862-A864 VanDerWaalsContact C-N 3.3Å; A864-D883 HydrophobicContact CB-CB 4.08Å
865	Y	91.5	Very high	93.5	Very high	61 Å²	61	24.1 Å²	24.1	24%	0.239	12%	0.123	C	C	.	.	S	Bend	trans	-68.5	-38.2	178	178.9	-120	0	0	0	111.8	V169 E173 R859 Y881 R882	V169-Y865 HydrophobicContact CG1-CD2 3.92Å; E173-Y865 HydrophobicContact CB-CD2 3.68Å; E173-Y865 HydrophobicContact CB-CE2 4.14Å; E173-Y865 HydrophobicContact CB-CG 4.09Å; E173-Y865 VanDerWaalsContact CD-CZ 3.45Å; E173-Y865 HydrophobicContact CG-CD1 4.31Å; E173-Y865 HydrophobicContact CG-CD2 3.66Å; E173-Y865 HydrophobicContact CG-CE1 4.39Å; E173-Y865 HydrophobicContact CG-CE2 3.69Å; E173-Y865 HydrophobicContact CG-CG 3.99Å; E173-Y865 WeakPolarHBondContact OE1-CE2 3.46Å; E173-Y865 VanDerWaalsContact OE1-CZ 3.3Å; E173-Y865 PolarHBondContact OE1-OH 3.27Å; E173-Y865 WeakPolarHBondContact OE2-CD2 3.37Å; E173-Y865 WeakPolarHBondContact OE2-CE2 3.36Å; R859-Y865 PolarHBondContact NH1-O 3.12Å; Y865-Y881 AromaticContact CD1-CD1 3.42Å; Y865-Y881 HydrophobicContact CD1-CD1 3.42Å; Y865-Y881 VanDerWaalsContact CD1-CD1 3.42Å; Y865-Y881 AromaticContact CD1-CE1 3.52Å; Y865-Y881 HydrophobicContact CD1-CE1 3.52Å; Y865-Y881 HydrophobicContact CE1-CD1 4.03Å; Y865-Y881 AromaticContact CE1-CE1 3.82Å; Y865-Y881 HydrophobicContact CE1-CE1 3.82Å; Y865-Y881 HydrophobicContact CG-CD1 4.49Å; Y865-Y881 PolarHBondContact N-O 3Å; Y865-Y881 VanDerWaalsContact N-O 3.14Å; Y865-R882 PolarHBondContact N-O 3.49Å
866	G	92.5	Very high	93.6	Very high	17 Å²	17	22.7 Å²	22.7	18%	0.175	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	165.1	177.5	0	0	0	0	0	113.6	S880 Y881	G866-S880 CarbonylContact O-C 3.57Å; G866-S880 WeakPolarHBondContact O-CA 3.4Å; G866-Y881 PolarHBondContact N-O 2.72Å; G866-Y881 VanDerWaalsContact N-O 3.13Å; G866-Y881 PolarHBondContact O-N 3.47Å
867	G	95.3	Very high	93.9	Very high	16 Å²	16	19.9 Å²	19.9	17%	0.165	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	163.6	173.1	0	0	0	0	0	111.8	Y879	G867-Y879 CarbonylContact C-O 3.57Å; G867-Y879 WeakPolarHBondContact CA-O 3.35Å
868	G	97.5	Very high	94.1	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-164.9	-178.5	0	0	0	0	0	113.2	F878 Y879	G868-F878 CarbonylContact O-C 3.52Å; G868-F878 VanDerWaalsContact O-CA 3.29Å; G868-F878 WeakPolarHBondContact O-CA 3.23Å; G868-Y879 PolarHBondContact N-O 2.94Å; G868-Y879 WeakPolarHBondContact O-CD1 3.38Å; G868-Y879 PolarHBondContact O-N 3.16Å
869	A	98.4	Very high	94.3	Very high	6 Å²	6	21.1 Å²	21.1	5%	0.05	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.1	176.8	0	0	0	0	0	111.2	A846 L849 S850 L854 L877 F878	A846-A869 HydrophobicContact CB-CB 4.35Å; L849-A869 HydrophobicContact CB-CB 4.15Å; L849-A869 HydrophobicContact CD1-CB 4.44Å; S850-A869 PolarHBondContact OG-N 2.9Å; S850-A869 PolarHBondContact OG-O 3.43Å; L854-A869 HydrophobicContact CD1-CB 3.86Å; A869-L877 CarbonylContact C-O 3.53Å; A869-L877 WeakPolarHBondContact CA-O 3.34Å; A869-F878 HydrophobicContact CB-CD1 3.83Å; A869-F878 HydrophobicContact CB-CE1 3.87Å; A869-F878 HydrophobicContact CB-CG 4.38Å; A869-F878 HydrophobicContact CB-CZ 4.44Å
870	I	97.9	Very high	94.5	Very high	60 Å²	60	19.5 Å²	19.5	31%	0.308	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.7	-179.1	-55.6	173.8	0	0	0	108	K872 L877 Y879	I870-K872 HydrophobicContact CG2-CG 4.1Å; I870-L877 PolarHBondContact N-O 2.99Å; I870-L877 PolarHBondContact O-N 2.89Å; I870-Y879 HydrophobicContact CD1-CD1 4.17Å; I870-Y879 HydrophobicContact CD1-CE1 3.71Å; I870-Y879 HydrophobicContact CG1-CD1 4.41Å; I870-Y879 HydrophobicContact CG1-CE1 3.94Å
871	A	97.7	Very high	94.8	Very high	13 Å²	13	20.8 Å²	20.8	11%	0.107	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.9	168.1	0	0	0	0	0	109.7	Y839 R843 A846 L876	Y839-A871 HydrophobicContact CE2-CB 4.48Å; Y839-A871 PolarHBondContact OH-O 3.49Å; R843-A871 HydrophobicContact CG-CB 4.06Å; A846-A871 HydrophobicContact CB-CB 3.99Å; A871-L876 HydrophobicContact CB-CD1 4.22Å
872	K	95.1	Very high	95	Very high	88 Å²	88	20 Å²	20	38%	0.383	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	161.1	166.7	-65.4	-170.8	177.4	-177.3	0	108.2	Y839 I870 E874 A875 L877	Y839-K872 WeakPolarHBondContact OH-CA 3.41Å; I870-K872 HydrophobicContact CG2-CG 4.1Å; K872-E874 PolarHBondContact O-N 3.35Å; K872-A875 PolarHBondContact N-O 2.98Å; K872-A875 CarbonylContact O-C 3.54Å; K872-A875 PolarHBondContact O-N 2.73Å; K872-A875 VanDerWaalsContact O-N 3.07Å; K872-L877 HydrophobicContact CD-CD1 4.05Å; K872-L877 HydrophobicContact CG-CD1 4.36Å
873	P	92.8	Very high	95.3	Very high	35 Å²	35	19.9 Å²	19.9	23%	0.227	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	134.9	172.2	-25.1	36.7	0	0	0	109.7	P621 Y834 Y839 A875	P621-P873 HydrophobicContact CG-CB 4.36Å; Y834-P873 HydrophobicContact CD2-CG 4.34Å; Y839-P873 HydrophobicContact CE1-CG 4.45Å; Y839-P873 WeakPolarHBondContact OH-CD 3.43Å; P873-A875 PolarHBondContact O-N 3.16Å
874	E	93	Very high	95.3	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-12	-177.8	-49.1	179.7	135.2	0	0	116.7	P621 S705 T707 L708 A831 P832 K872	P621-E874 HydrophobicContact CG-CG 4.16Å; S705-E874 WeakPolarHBondContact CB-OE2 3.37Å; S705-E874 PolarHBondContact OG-OE2 2.79Å; T707-E874 WeakPolarHBondContact CB-OE2 3.32Å; T707-E874 PolarHBondContact OG1-OE2 2.9Å; L708-E874 HydrophobicContact CD1-CB 4.03Å; A831-E874 PolarHBondContact N-O 2.81Å; A831-E874 CarbonylContact O-C 3.56Å; A831-E874 VanDerWaalsContact O-CA 3.3Å; A831-E874 WeakPolarHBondContact O-CA 3.14Å; P832-E874 PolarHBondContact O-N 2.66Å; K872-E874 PolarHBondContact O-N 3.35Å
875	A	95.3	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133.3	-179.4	0	0	0	0	0	115.4	L704 L708 I829 K872 P873 L877	L704-A875 HydrophobicContact CD1-CB 3.98Å; L708-A875 HydrophobicContact CD1-CB 3.84Å; L708-A875 HydrophobicContact CD2-CB 4.42Å; I829-A875 CarbonylContact O-C 3.24Å; I829-A875 WeakPolarHBondContact O-CA 3.41Å; K872-A875 PolarHBondContact N-O 2.98Å; K872-A875 CarbonylContact O-C 3.54Å; K872-A875 PolarHBondContact O-N 2.73Å; K872-A875 VanDerWaalsContact O-N 3.07Å; P873-A875 PolarHBondContact O-N 3.16Å; A875-L877 HydrophobicContact CB-CD2 3.84Å; A875-L877 HydrophobicContact CB-CG 4.16Å
876	L	97.7	Very high	95.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.3	159.6	178.6	64.7	0	0	0	108.3	A828 I829 A831 Y842 A846 A871 F878 I966	A828-L876 WeakPolarHBondContact CA-O 3.44Å; I829-L876 HydrophobicContact CB-CB 4.47Å; I829-L876 PolarHBondContact N-O 3.27Å; I829-L876 PolarHBondContact O-N 2.86Å; A831-L876 HydrophobicContact CB-CB 4.32Å; Y842-L876 HydrophobicContact CD1-CB 4.28Å; Y842-L876 HydrophobicContact CD1-CD2 4.49Å; A846-L876 HydrophobicContact CB-CD1 3.84Å; A871-L876 HydrophobicContact CB-CD1 4.22Å; L876-F878 HydrophobicContact CD2-CE2 3.87Å; L876-F878 HydrophobicContact CD2-CZ 3.96Å; L876-F878 HydrophobicContact CG-CE2 3.8Å; L876-F878 HydrophobicContact CG-CZ 4.21Å; L876-I966 HydrophobicContact CD2-CD1 3.89Å
877	L	98.4	Very high	95.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.2	-174.7	-55.6	171.5	0	0	0	109.8	M697 A701 K827 A828 A869 I870 K872 A875	M697-L877 HydrophobicContact CG-CB 4.43Å; M697-L877 HydrophobicContact SD-CB 4Å; M697-L877 HydrophobicContact SD-CD1 4.23Å; A701-L877 HydrophobicContact CB-CD2 3.7Å; K827-L877 CarbonylContact O-C 3.53Å; K827-L877 WeakPolarHBondContact O-CA 3.37Å; A828-L877 HydrophobicContact CB-CD2 3.61Å; A869-L877 CarbonylContact C-O 3.53Å; A869-L877 WeakPolarHBondContact CA-O 3.34Å; I870-L877 PolarHBondContact N-O 2.99Å; I870-L877 PolarHBondContact O-N 2.89Å; K872-L877 HydrophobicContact CD-CD1 4.05Å; K872-L877 HydrophobicContact CG-CD1 4.36Å; A875-L877 HydrophobicContact CB-CD2 3.84Å; A875-L877 HydrophobicContact CB-CG 4.16Å
878	F	98.6	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.8	169.3	-60.4	-104.2	0	0	0	108.2	A826 K827 I829 L849 L854 G868 A869 L876 F893 I897	A826-F878 CarbonylContact C-O 3.32Å; A826-F878 WeakPolarHBondContact CA-O 3.44Å; K827-F878 HydrophobicContact CB-CB 4.15Å; K827-F878 HydrophobicContact CB-CD2 4.32Å; K827-F878 HydrophobicContact CG-CD2 4.43Å; K827-F878 PolarHBondContact N-O 2.91Å; K827-F878 PolarHBondContact O-N 2.76Å; I829-F878 HydrophobicContact CD1-CE2 3.89Å; I829-F878 HydrophobicContact CG1-CE2 4.46Å; L849-F878 HydrophobicContact CD1-CE1 3.93Å; L849-F878 HydrophobicContact CD1-CZ 3.87Å; L854-F878 HydrophobicContact CD1-CD1 3.74Å; L854-F878 HydrophobicContact CD1-CE1 4.04Å; G868-F878 CarbonylContact O-C 3.52Å; G868-F878 VanDerWaalsContact O-CA 3.29Å; G868-F878 WeakPolarHBondContact O-CA 3.23Å; A869-F878 HydrophobicContact CB-CD1 3.83Å; A869-F878 HydrophobicContact CB-CE1 3.87Å; A869-F878 HydrophobicContact CB-CG 4.38Å; A869-F878 HydrophobicContact CB-CZ 4.44Å; L876-F878 HydrophobicContact CD2-CE2 3.87Å; L876-F878 HydrophobicContact CD2-CZ 3.96Å; L876-F878 HydrophobicContact CG-CE2 3.8Å; L876-F878 HydrophobicContact CG-CZ 4.21Å; F878-F893 HydrophobicContact CB-CB 4.27Å; F878-F893 HydrophobicContact CB-CD1 3.64Å; F878-F893 HydrophobicContact CB-CD2 3.82Å; F878-F893 HydrophobicContact CB-CE1 3.77Å; F878-F893 HydrophobicContact CB-CE2 3.96Å; F878-F893 HydrophobicContact CB-CG 3.66Å; F878-F893 HydrophobicContact CB-CZ 3.94Å; F878-F893 HydrophobicContact CD1-CB 4.04Å; F878-F893 AromaticContact CD1-CD1 3.86Å; F878-F893 HydrophobicContact CD1-CD1 3.86Å; F878-F893 HydrophobicContact CD1-CG 4.1Å; F878-F893 HydrophobicContact CG-CB 4.15Å; F878-F893 HydrophobicContact CG-CD1 4.11Å; F878-F893 HydrophobicContact CG-CG 4.06Å; F878-I897 HydrophobicContact CE1-CG1 4.31Å; F878-I897 HydrophobicContact CE2-CD1 4.03Å; F878-I897 HydrophobicContact CZ-CD1 3.69Å; F878-I897 HydrophobicContact CZ-CG1 3.69Å
879	Y	98.5	Very high	94.9	Very high	55 Å²	55	29.5 Å²	29.5	22%	0.216	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.8	-179.8	72.8	-78.9	0	0	0	112.9	H693 M697 A825 G867 G868 I870	H693-Y879 HydrophobicContact CB-CD2 4.32Å; M697-Y879 HydrophobicContact CE-CD1 4.49Å; M697-Y879 HydrophobicContact CE-CG 4.29Å; M697-Y879 HydrophobicContact SD-CD1 3.95Å; M697-Y879 HydrophobicContact SD-CG 4.02Å; A825-Y879 CarbonylContact O-C 3.5Å; A825-Y879 VanDerWaalsContact O-CA 3.23Å; A825-Y879 WeakPolarHBondContact O-CA 3.34Å; G867-Y879 CarbonylContact C-O 3.57Å; G867-Y879 WeakPolarHBondContact CA-O 3.35Å; G868-Y879 PolarHBondContact N-O 2.94Å; G868-Y879 WeakPolarHBondContact O-CD1 3.38Å; G868-Y879 PolarHBondContact O-N 3.16Å; I870-Y879 HydrophobicContact CD1-CD1 4.17Å; I870-Y879 HydrophobicContact CD1-CE1 3.71Å; I870-Y879 HydrophobicContact CG1-CD1 4.41Å; I870-Y879 HydrophobicContact CG1-CE1 3.94Å
880	S	98	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.6	160.3	65.1	0	0	0	0	111	A825 G866 D883	A825-S880 WeakPolarHBondContact CB-OG 3.26Å; A825-S880 PolarHBondContact N-OG 2.9Å; A825-S880 PolarHBondContact O-N 2.71Å; G866-S880 CarbonylContact O-C 3.57Å; G866-S880 WeakPolarHBondContact O-CA 3.4Å; S880-D883 VanDerWaalsContact CB-OD2 3.25Å; S880-D883 WeakPolarHBondContact CB-OD2 3.19Å; S880-D883 WeakPolarHBondContact OG-CB 3.35Å; S880-D883 PolarHBondContact OG-OD2 3.28Å
881	Y	95.9	Very high	94.6	Very high	35 Å²	35	30.2 Å²	30.2	14%	0.137	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.1	-174.1	-175.4	-127.1	0	0	0	109.5	D690 H693 Y824 Y865 G866	D690-Y881 WeakPolarHBondContact O-CE2 3.25Å; D690-Y881 PolarHBondContact O-OH 3.25Å; H693-Y881 HydrophobicContact CB-CD2 4.05Å; H693-Y881 AromaticContact CE1-CD2 3.82Å; H693-Y881 AromaticContact CE1-CE2 3.81Å; H693-Y881 AromaticContact CG-CD2 3.69Å; H693-Y881 AromaticContact ND1-CD2 3.12Å; H693-Y881 WeakPolarHBondContact ND1-CD2 3.26Å; H693-Y881 AromaticContact ND1-CE2 3.34Å; H693-Y881 VanDerWaalsContact ND1-CE2 3.34Å; H693-Y881 WeakPolarHBondContact ND1-CE2 3.48Å; Y824-Y881 AromaticContact CD1-CD2 3.62Å; Y824-Y881 HydrophobicContact CD1-CD2 3.62Å; Y824-Y881 HydrophobicContact CD1-CE2 4.19Å; Y824-Y881 AromaticContact CE1-CD2 3.3Å; Y824-Y881 HydrophobicContact CE1-CD2 3.3Å; Y824-Y881 AromaticContact CE1-CE2 3.48Å; Y824-Y881 HydrophobicContact CE1-CE2 3.48Å; Y824-Y881 VanDerWaalsContact CE1-CE2 3.48Å; Y824-Y881 HydrophobicContact CE1-CG 4.36Å; Y865-Y881 AromaticContact CD1-CD1 3.42Å; Y865-Y881 HydrophobicContact CD1-CD1 3.42Å; Y865-Y881 VanDerWaalsContact CD1-CD1 3.42Å; Y865-Y881 AromaticContact CD1-CE1 3.52Å; Y865-Y881 HydrophobicContact CD1-CE1 3.52Å; Y865-Y881 HydrophobicContact CE1-CD1 4.03Å; Y865-Y881 AromaticContact CE1-CE1 3.82Å; Y865-Y881 HydrophobicContact CE1-CE1 3.82Å; Y865-Y881 HydrophobicContact CG-CD1 4.49Å; Y865-Y881 PolarHBondContact N-O 3Å; Y865-Y881 VanDerWaalsContact N-O 3.14Å; G866-Y881 PolarHBondContact N-O 2.72Å; G866-Y881 VanDerWaalsContact N-O 3.13Å; G866-Y881 PolarHBondContact O-N 3.47Å
882	R	93.7	Very high	94.5	Very high	15 Å²	15	30 Å²	30	6%	0.057	15%	0.148	C	C	.	.	S	Bend	trans	53.8	57.1	-174.9	-55.6	176.6	173.2	167.5	1.2	111.7	E173 V822 H823 Y824 Y865	E173-R882 PolarHBondContact O-NH1 2.91Å; V822-R882 HydrophobicContact CB-CB 4.41Å; V822-R882 HydrophobicContact CG2-CB 4.09Å; V822-R882 HydrophobicContact CG2-CG 4.17Å; H823-R882 PolarHBondContact O-N 2.88Å; Y824-R882 HydrophobicContact CE1-CG 4.01Å; Y865-R882 PolarHBondContact N-O 3.49Å
883	D	92.8	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-93.8	124.9	-170.9	-172.5	-10.2	0	0	0	111.9	H823 A864 S880 Y885 T889	H823-D883 HydrophobicContact CB-CB 4.41Å; H823-D883 VanDerWaalsContact CB-O 3.29Å; H823-D883 WeakPolarHBondContact CB-O 3.49Å; H823-D883 PolarHBondContact N-O 2.84Å; H823-D883 PolarHBondContact ND1-O 2.78Å; H823-D883 WeakPolarHBondContact O-CB 3.45Å; H823-D883 PolarHBondContact O-N 3.13Å; A864-D883 HydrophobicContact CB-CB 4.08Å; S880-D883 VanDerWaalsContact CB-OD2 3.25Å; S880-D883 WeakPolarHBondContact CB-OD2 3.19Å; S880-D883 WeakPolarHBondContact OG-CB 3.35Å; S880-D883 PolarHBondContact OG-OD2 3.28Å; D883-Y885 PolarHBondContact OD1-N 2.61Å; D883-T889 WeakPolarHBondContact OD2-CB 3.39Å; D883-T889 WeakPolarHBondContact OD2-CG2 3.39Å; D883-T889 PolarHBondContact OD2-OG1 2.96Å
884	P	89.1	Confident	94.7	Very high	38 Å²	38	27.7 Å²	27.7	25%	0.247	14%	0.136	C	C	.	.	S	Bend	trans	-77.4	-21.4	174.8	29.5	-33.7	0	0	0	114.2	G862	G862-P884 VanDerWaalsContact O-CG 3.27Å; G862-P884 WeakPolarHBondContact O-CG 3.4Å
885	Y	88	Confident	94.8	Very high	79 Å²	79	30.5 Å²	30.5	31%	0.31	15%	0.151	S	C	.	.			trans	-135	67	-169.9	-57.1	-65.6	0	0	0	113	K167 G862 D883 L887 K888 T889	K167-Y885 VanDerWaalsContact CE-OH 3.29Å; K167-Y885 WeakPolarHBondContact CE-OH 3.09Å; G862-Y885 WeakPolarHBondContact O-CD2 3.49Å; D883-Y885 PolarHBondContact OD1-N 2.61Å; Y885-L887 VanDerWaalsContact C-N 3.34Å; Y885-L887 PolarHBondContact O-N 3.43Å; Y885-K888 PolarHBondContact O-N 2.79Å; Y885-K888 VanDerWaalsContact O-N 3.12Å; Y885-T889 PolarHBondContact O-N 3.49Å; Y885-T889 VanDerWaalsContact O-N 3.11Å; Y885-T889 PolarHBondContact O-OG1 3.08Å
886	P	91.9	Very high	94.9	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-37	-171.8	25.8	-38.2	0	0	0	114.2	H823 A825 K888 T889 L890 V983 W992	H823-P886 HydrophobicContact CB-CB 3.96Å; H823-P886 HydrophobicContact CB-CG 3.93Å; A825-P886 HydrophobicContact CB-CB 4.23Å; P886-K888 PolarHBondContact O-N 2.92Å; P886-T889 WeakPolarHBondContact O-CB 3.29Å; P886-T889 PolarHBondContact O-N 3.49Å; P886-L890 WeakPolarHBondContact O-CG 3.28Å; P886-L890 PolarHBondContact O-N 3.46Å; P886-V983 HydrophobicContact CB-CG1 3.87Å; P886-V983 HydrophobicContact CB-CG2 4.2Å; P886-V983 HydrophobicContact CG-CG1 4.25Å; P886-W992 HydrophobicContact CB-CZ2 4.32Å; P886-W992 HydrophobicContact CG-CZ2 4.15Å
887	L	91.4	Very high	94.8	Very high	75 Å²	75	30.6 Å²	30.6	39%	0.393	15%	0.152	S	C	.	.	H	α-helix	trans	-64.4	-41	178.6	-72.8	176.6	0	0	0	113	Y885 T889 L890 S891 D991 W992	Y885-L887 VanDerWaalsContact C-N 3.34Å; Y885-L887 PolarHBondContact O-N 3.43Å; L887-T889 VanDerWaalsContact C-N 3.28Å; L887-L890 PolarHBondContact O-N 3.1Å; L887-S891 PolarHBondContact O-N 2.71Å; L887-S891 VanDerWaalsContact O-N 3.12Å; L887-S891 PolarHBondContact O-OG 3.18Å; L887-D991 HydrophobicContact CD1-CB 3.8Å; L887-D991 HydrophobicContact CG-CB 4.49Å; L887-W992 HydrophobicContact CD2-CH2 3.24Å; L887-W992 HydrophobicContact CD2-CZ2 3.74Å; L887-W992 HydrophobicContact CD2-CZ3 3.7Å; L887-W992 HydrophobicContact CG-CH2 4Å; L887-W992 HydrophobicContact CG-CZ2 4Å
888	K	91.9	Very high	94.7	Very high	99 Å²	99	35.6 Å²	35.6	43%	0.43	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-38.4	175.3	-175	-176	175.5	-170.5	0	110.1	Y885 P886 S891 S892	Y885-K888 PolarHBondContact O-N 2.79Å; Y885-K888 VanDerWaalsContact O-N 3.12Å; P886-K888 PolarHBondContact O-N 2.92Å; K888-S891 WeakPolarHBondContact O-CB 3.38Å; K888-S891 PolarHBondContact O-N 2.97Å; K888-S892 WeakPolarHBondContact O-CB 3.5Å; K888-S892 PolarHBondContact O-N 2.83Å; K888-S892 PolarHBondContact O-OG 3.11Å
889	T	96.2	Very high	94.5	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-47.1	175.5	-68.8	0	0	0	0	112.4	A825 I858 D883 Y885 P886 L887 S891 S892 F893	A825-T889 HydrophobicContact CB-CG2 4.2Å; I858-T889 HydrophobicContact CD1-CG2 3.89Å; I858-T889 HydrophobicContact CG1-CG2 4.17Å; D883-T889 WeakPolarHBondContact OD2-CB 3.39Å; D883-T889 WeakPolarHBondContact OD2-CG2 3.39Å; D883-T889 PolarHBondContact OD2-OG1 2.96Å; Y885-T889 PolarHBondContact O-N 3.49Å; Y885-T889 VanDerWaalsContact O-N 3.11Å; Y885-T889 PolarHBondContact O-OG1 3.08Å; P886-T889 WeakPolarHBondContact O-CB 3.29Å; P886-T889 PolarHBondContact O-N 3.49Å; L887-T889 VanDerWaalsContact C-N 3.28Å; T889-S891 VanDerWaalsContact C-N 3.27Å; T889-S891 PolarHBondContact O-N 3.31Å; T889-S892 CarbonylContact O-C 3.51Å; T889-S892 WeakPolarHBondContact O-CA 3.24Å; T889-S892 VanDerWaalsContact O-CB 3.3Å; T889-S892 WeakPolarHBondContact O-CB 3.41Å; T889-S892 PolarHBondContact O-N 3.07Å; T889-F893 HydrophobicContact CG2-CD1 4.37Å; T889-F893 HydrophobicContact CG2-CE1 3.64Å; T889-F893 HydrophobicContact CG2-CE2 3.84Å; T889-F893 HydrophobicContact CG2-CZ 3.32Å; T889-F893 WeakPolarHBondContact O-CG 3.49Å; T889-F893 PolarHBondContact O-N 3.13Å
890	L	95.2	Very high	94.4	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-41.6	175.7	-69.8	176.6	0	0	0	111.8	A825 P886 L887 S892 F893 E894 V983 W992 W1005	A825-L890 HydrophobicContact CB-CD2 4.31Å; P886-L890 WeakPolarHBondContact O-CG 3.28Å; P886-L890 PolarHBondContact O-N 3.46Å; L887-L890 PolarHBondContact O-N 3.1Å; L890-S892 VanDerWaalsContact C-N 3.3Å; L890-S892 PolarHBondContact O-N 3.47Å; L890-F893 HydrophobicContact CD2-CD2 3.98Å; L890-F893 HydrophobicContact CD2-CE2 4.03Å; L890-F893 WeakPolarHBondContact O-CB 3.39Å; L890-F893 PolarHBondContact O-N 2.96Å; L890-E894 PolarHBondContact O-N 3.22Å; L890-V983 HydrophobicContact CD1-CG2 4.06Å; L890-W992 HydrophobicContact CD1-CH2 3.77Å; L890-W992 HydrophobicContact CD1-CZ3 4.39Å; L890-W1005 HydrophobicContact CD1-CH2 3.64Å; L890-W1005 HydrophobicContact CD1-CZ2 3.74Å
891	S	94.9	Very high	94.2	Very high	63 Å²	63	36.5 Å²	36.5	44%	0.441	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-38.9	173.2	-56.8	0	0	0	0	111.8	L887 K888 T889 F893 E894 N895	L887-S891 PolarHBondContact O-N 2.71Å; L887-S891 VanDerWaalsContact O-N 3.12Å; L887-S891 PolarHBondContact O-OG 3.18Å; K888-S891 WeakPolarHBondContact O-CB 3.38Å; K888-S891 PolarHBondContact O-N 2.97Å; T889-S891 VanDerWaalsContact C-N 3.27Å; T889-S891 PolarHBondContact O-N 3.31Å; S891-F893 VanDerWaalsContact C-N 3.35Å; S891-F893 PolarHBondContact O-N 3Å; S891-E894 PolarHBondContact O-N 3.48Å; S891-N895 WeakPolarHBondContact O-CB 3.33Å; S891-N895 PolarHBondContact O-N 2.84Å; S891-N895 PolarHBondContact O-ND2 3.27Å; S891-N895 VanDerWaalsContact O-ND2 3.17Å
892	S	96.9	Very high	94.1	Very high	8 Å²	8	39 Å²	39	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-34.8	177.7	-57.6	0	0	0	0	112.2	K888 T889 L890 N895 A896	K888-S892 WeakPolarHBondContact O-CB 3.5Å; K888-S892 PolarHBondContact O-N 2.83Å; K888-S892 PolarHBondContact O-OG 3.11Å; T889-S892 CarbonylContact O-C 3.51Å; T889-S892 WeakPolarHBondContact O-CA 3.24Å; T889-S892 VanDerWaalsContact O-CB 3.3Å; T889-S892 WeakPolarHBondContact O-CB 3.41Å; T889-S892 PolarHBondContact O-N 3.07Å; L890-S892 VanDerWaalsContact C-N 3.3Å; L890-S892 PolarHBondContact O-N 3.47Å; S892-N895 PolarHBondContact O-N 3.09Å; S892-A896 WeakPolarHBondContact O-CB 3.25Å; S892-A896 PolarHBondContact O-N 3.23Å
893	F	97.2	Very high	94	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-45	172.7	-60.2	-27.7	0	0	0	112	A825 K827 L854 I858 F878 T889 L890 S891 A896	A825-F893 HydrophobicContact CB-CE2 4.44Å; K827-F893 HydrophobicContact CB-CD2 3.68Å; K827-F893 HydrophobicContact CB-CE2 4.3Å; K827-F893 HydrophobicContact CB-CG 4.44Å; K827-F893 HydrophobicContact CD-CB 3.94Å; L854-F893 HydrophobicContact CD2-CD1 3.83Å; L854-F893 HydrophobicContact CD2-CE1 4.41Å; I858-F893 HydrophobicContact CD1-CD1 4.03Å; I858-F893 HydrophobicContact CD1-CE1 3.45Å; I858-F893 VanDerWaalsContact CD1-CE1 3.45Å; I858-F893 HydrophobicContact CD1-CZ 4.38Å; F878-F893 HydrophobicContact CB-CB 4.27Å; F878-F893 HydrophobicContact CB-CD1 3.64Å; F878-F893 HydrophobicContact CB-CD2 3.82Å; F878-F893 HydrophobicContact CB-CE1 3.77Å; F878-F893 HydrophobicContact CB-CE2 3.96Å; F878-F893 HydrophobicContact CB-CG 3.66Å; F878-F893 HydrophobicContact CB-CZ 3.94Å; F878-F893 HydrophobicContact CD1-CB 4.04Å; F878-F893 AromaticContact CD1-CD1 3.86Å; F878-F893 HydrophobicContact CD1-CD1 3.86Å; F878-F893 HydrophobicContact CD1-CG 4.1Å; F878-F893 HydrophobicContact CG-CB 4.15Å; F878-F893 HydrophobicContact CG-CD1 4.11Å; F878-F893 HydrophobicContact CG-CG 4.06Å; T889-F893 HydrophobicContact CG2-CD1 4.37Å; T889-F893 HydrophobicContact CG2-CE1 3.64Å; T889-F893 HydrophobicContact CG2-CE2 3.84Å; T889-F893 HydrophobicContact CG2-CZ 3.32Å; T889-F893 WeakPolarHBondContact O-CG 3.49Å; T889-F893 PolarHBondContact O-N 3.13Å; L890-F893 HydrophobicContact CD2-CD2 3.98Å; L890-F893 HydrophobicContact CD2-CE2 4.03Å; L890-F893 WeakPolarHBondContact O-CB 3.39Å; L890-F893 PolarHBondContact O-N 2.96Å; S891-F893 VanDerWaalsContact C-N 3.35Å; S891-F893 PolarHBondContact O-N 3Å; F893-A896 PolarHBondContact O-N 3.09Å
894	E	93.2	Very high	94	Very high	75 Å²	75	49.8 Å²	49.8	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-67	-42.9	177.4	-65.2	-166.1	166.3	0	0	112.5	K827 L890 S891 A896 I897 K898	K827-E894 VanDerWaalsContact NZ-CG 3.31Å; K827-E894 IonicContact NZ-OE1 2.6Å; K827-E894 PolarHBondContact NZ-OE1 3.02Å; L890-E894 PolarHBondContact O-N 3.22Å; S891-E894 PolarHBondContact O-N 3.48Å; E894-A896 VanDerWaalsContact C-N 3.27Å; E894-A896 PolarHBondContact O-N 2.72Å; E894-I897 PolarHBondContact O-N 2.74Å; E894-K898 PolarHBondContact O-N 3.09Å
895	N	96.3	Very high	94.2	Very high	67 Å²	67	48.6 Å²	48.6	36%	0.358	24%	0.241	S	C	.	.	H	α-helix	trans	-66.4	-32.5	179.6	-67.5	-26.9	0	0	0	111.6	Y853 S891 S892 I897 K898 W899	Y853-N895 HydrophobicContact CE1-CB 4.3Å; Y853-N895 VanDerWaalsContact OH-CB 3.23Å; Y853-N895 WeakPolarHBondContact OH-CB 3.39Å; S891-N895 WeakPolarHBondContact O-CB 3.33Å; S891-N895 PolarHBondContact O-N 2.84Å; S891-N895 PolarHBondContact O-ND2 3.27Å; S891-N895 VanDerWaalsContact O-ND2 3.17Å; S892-N895 PolarHBondContact O-N 3.09Å; N895-I897 VanDerWaalsContact C-N 3.32Å; N895-I897 PolarHBondContact O-N 3Å; N895-K898 PolarHBondContact O-N 2.94Å; N895-W899 WeakPolarHBondContact O-CB 3.27Å; N895-W899 PolarHBondContact O-N 3.23Å
896	A	97.4	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-41.5	175.5	0	0	0	0	0	111.9	L849 Y853 L854 S892 F893 E894 W899 A900	L849-A896 HydrophobicContact CD2-CB 3.88Å; L849-A896 WeakPolarHBondContact CD2-O 3.47Å; Y853-A896 HydrophobicContact CD1-CB 3.43Å; Y853-A896 VanDerWaalsContact CD1-CB 3.43Å; Y853-A896 HydrophobicContact CE1-CB 3.83Å; Y853-A896 HydrophobicContact CG-CB 4.07Å; L854-A896 HydrophobicContact CD2-CB 3.7Å; L854-A896 HydrophobicContact CG-CB 4.07Å; S892-A896 WeakPolarHBondContact O-CB 3.25Å; S892-A896 PolarHBondContact O-N 3.23Å; F893-A896 PolarHBondContact O-N 3.09Å; E894-A896 VanDerWaalsContact C-N 3.27Å; E894-A896 PolarHBondContact O-N 2.72Å; A896-W899 PolarHBondContact O-N 3.13Å; A896-A900 WeakPolarHBondContact O-CB 3.29Å; A896-A900 PolarHBondContact O-N 2.85Å
897	I	95.5	Very high	94.4	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-45	179.4	-59.4	167	0	0	0	110.8	I829 F878 E894 N895 W899 A900 S901 I966 V967 L970	I829-I897 HydrophobicContact CD1-CD1 3.32Å; F878-I897 HydrophobicContact CE1-CG1 4.31Å; F878-I897 HydrophobicContact CE2-CD1 4.03Å; F878-I897 HydrophobicContact CZ-CD1 3.69Å; F878-I897 HydrophobicContact CZ-CG1 3.69Å; E894-I897 PolarHBondContact O-N 2.74Å; N895-I897 VanDerWaalsContact C-N 3.32Å; N895-I897 PolarHBondContact O-N 3Å; I897-W899 VanDerWaalsContact C-N 3.28Å; I897-W899 PolarHBondContact O-N 2.72Å; I897-A900 PolarHBondContact O-N 2.77Å; I897-S901 PolarHBondContact O-N 3.38Å; I897-I966 HydrophobicContact CD1-CG2 4.05Å; I897-I966 HydrophobicContact CG2-CB 4.02Å; I897-I966 HydrophobicContact CG2-CG2 3.63Å; I897-V967 HydrophobicContact CG2-CG2 3.74Å; I897-L970 HydrophobicContact CD1-CD1 3.71Å; I897-L970 HydrophobicContact CG2-CD1 4.45Å
898	K	95.2	Very high	94.5	Very high	109 Å²	109	56.9 Å²	56.9	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-37	175.4	-66.7	172.9	-174.1	164.7	0	111.8	E894 N895 S901 S902 V967	E894-K898 PolarHBondContact O-N 3.09Å; N895-K898 PolarHBondContact O-N 2.94Å; K898-S901 PolarHBondContact O-OG 3.34Å; K898-S902 PolarHBondContact O-N 2.99Å; K898-S902 PolarHBondContact O-OG 3Å; K898-V967 HydrophobicContact CG-CG2 4.46Å
899	W	95.7	Very high	94.6	Very high	45 Å²	45	52.8 Å²	52.8	17%	0.17	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-48	174.1	168.2	82.9	0	0	0	110.8	K852 Y853 N895 A896 I897 S901 S902 R903 F905	K852-W899 HydrophobicContact CB-CH2 3.33Å; K852-W899 HydrophobicContact CB-CZ2 3.99Å; K852-W899 HydrophobicContact CB-CZ3 4.12Å; K852-W899 HydrophobicContact CG-CH2 4.19Å; Y853-W899 HydrophobicContact CD2-CB 3.84Å; Y853-W899 AromaticContact CD2-CD1 3.77Å; Y853-W899 AromaticContact CD2-CD2 3.38Å; Y853-W899 HydrophobicContact CD2-CD2 3.38Å; Y853-W899 AromaticContact CD2-CE2 3.85Å; Y853-W899 AromaticContact CD2-CE3 3.8Å; Y853-W899 HydrophobicContact CD2-CE3 3.8Å; Y853-W899 AromaticContact CD2-CG 3.36Å; Y853-W899 HydrophobicContact CD2-CG 3.36Å; Y853-W899 HydrophobicContact CE2-CB 3.65Å; Y853-W899 AromaticContact CE2-CD1 3.81Å; Y853-W899 HydrophobicContact CE2-CD2 4.09Å; Y853-W899 AromaticContact CE2-CG 3.54Å; Y853-W899 HydrophobicContact CE2-CG 3.54Å; Y853-W899 HydrophobicContact CG-CD2 4.09Å; Y853-W899 HydrophobicContact CG-CE3 4.03Å; Y853-W899 HydrophobicContact CG-CG 4.36Å; N895-W899 WeakPolarHBondContact O-CB 3.27Å; N895-W899 PolarHBondContact O-N 3.23Å; A896-W899 PolarHBondContact O-N 3.13Å; I897-W899 VanDerWaalsContact C-N 3.28Å; I897-W899 PolarHBondContact O-N 2.72Å; W899-S901 VanDerWaalsContact C-N 3.31Å; W899-S901 PolarHBondContact O-N 2.85Å; W899-S902 PolarHBondContact O-N 2.74Å; W899-S902 PolarHBondContact O-OG 2.89Å; W899-S902 VanDerWaalsContact O-OG 3.12Å; W899-R903 HydrophobicContact CZ2-CB 4.41Å; W899-R903 HydrophobicContact CZ2-CG 3.97Å; W899-R903 WeakPolarHBondContact O-CB 3.44Å; W899-R903 PolarHBondContact O-N 2.95Å; W899-F905 AromaticContact CH2-CE1 3.61Å; W899-F905 HydrophobicContact CH2-CE1 3.61Å; W899-F905 HydrophobicContact CH2-CZ 4.01Å; W899-F905 HydrophobicContact CZ2-CE1 4.44Å; W899-F905 AromaticContact CZ3-CE1 3.98Å; W899-F905 HydrophobicContact CZ3-CE1 3.98Å; W899-F905 AromaticContact CZ3-CZ 3.97Å; W899-F905 HydrophobicContact CZ3-CZ 3.97Å
900	A	96.3	Very high	94.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-31.9	179.6	0	0	0	0	0	113.4	L845 L849 A896 I897 S902 F905 A963	L845-A900 HydrophobicContact CD1-CB 3.86Å; L849-A900 HydrophobicContact CD2-CB 3.71Å; A896-A900 WeakPolarHBondContact O-CB 3.29Å; A896-A900 PolarHBondContact O-N 2.85Å; I897-A900 PolarHBondContact O-N 2.77Å; A900-S902 VanDerWaalsContact C-N 3.32Å; A900-F905 HydrophobicContact CB-CE2 4.38Å; A900-F905 HydrophobicContact CB-CZ 4Å; A900-F905 WeakPolarHBondContact O-CE2 3.42Å; A900-A963 HydrophobicContact CB-CB 4.09Å
901	S	94.5	Very high	94.6	Very high	28 Å²	28	53.9 Å²	53.9	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-74.2	-21.8	177.1	71.2	0	0	0	0	113.8	I897 K898 W899	I897-S901 PolarHBondContact O-N 3.38Å; K898-S901 PolarHBondContact O-OG 3.34Å; W899-S901 VanDerWaalsContact C-N 3.31Å; W899-S901 PolarHBondContact O-N 2.85Å
902	S	93	Very high	94.6	Very high	87 Å²	87	51.1 Å²	51.1	61%	0.608	25%	0.251	S	S	*	.	H	α-helix	trans	-103.1	-17.7	-178.7	55.3	0	0	0	0	114.1	K898 W899 A900	K898-S902 PolarHBondContact O-N 2.99Å; K898-S902 PolarHBondContact O-OG 3Å; W899-S902 PolarHBondContact O-N 2.74Å; W899-S902 PolarHBondContact O-OG 2.89Å; W899-S902 VanDerWaalsContact O-OG 3.12Å; A900-S902 VanDerWaalsContact C-N 3.32Å
903	R	92.2	Very high	94.6	Very high	94 Å²	94	50.7 Å²	50.7	36%	0.355	25%	0.249	S	C	.	.			trans	-76.9	143.6	179.4	-172.3	65.9	177	-156.3	-2.4	111.7	E519 W899 F905	E519-R903 IonicContact OE1-NH1 2.66Å; E519-R903 IonicContact OE1-NH2 3.35Å; E519-R903 PolarHBondContact OE1-NH2 3.28Å; W899-R903 HydrophobicContact CZ2-CB 4.41Å; W899-R903 HydrophobicContact CZ2-CG 3.97Å; W899-R903 WeakPolarHBondContact O-CB 3.44Å; W899-R903 PolarHBondContact O-N 2.95Å; R903-F905 HydrophobicContact CB-CE2 4.33Å; R903-F905 HydrophobicContact CB-CZ 4.3Å; R903-F905 HydrophobicContact CG-CD1 4.46Å; R903-F905 HydrophobicContact CG-CE1 4.36Å; R903-F905 HydrophobicContact CG-CZ 4.48Å
904	E	92.1	Very high	94.6	Very high	147 Å²	147	52 Å²	52	69%	0.687	25%	0.254	S	S	*	.			trans	-93	110.5	161.7	-63.3	-167.4	163.1	0	0	108.8
905	F	93	Very high	94.8	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	24%	0.237	C	C	.	.			trans	-79.6	135.3	178.3	-67.1	-79.4	0	0	0	110.4	L848 W899 A900 R903 D909 I910 A956 I959	L848-F905 HydrophobicContact CB-CE1 4.12Å; L848-F905 HydrophobicContact CD1-CD1 4.12Å; L848-F905 HydrophobicContact CD1-CE1 4.05Å; L848-F905 HydrophobicContact CD1-CG 4.41Å; L848-F905 HydrophobicContact CD1-CZ 4.31Å; L848-F905 HydrophobicContact CD2-CD1 3.94Å; L848-F905 HydrophobicContact CD2-CE1 4.06Å; L848-F905 HydrophobicContact CG-CE1 4.32Å; W899-F905 AromaticContact CH2-CE1 3.61Å; W899-F905 HydrophobicContact CH2-CE1 3.61Å; W899-F905 HydrophobicContact CH2-CZ 4.01Å; W899-F905 HydrophobicContact CZ2-CE1 4.44Å; W899-F905 AromaticContact CZ3-CE1 3.98Å; W899-F905 HydrophobicContact CZ3-CE1 3.98Å; W899-F905 AromaticContact CZ3-CZ 3.97Å; W899-F905 HydrophobicContact CZ3-CZ 3.97Å; A900-F905 HydrophobicContact CB-CE2 4.38Å; A900-F905 HydrophobicContact CB-CZ 4Å; A900-F905 WeakPolarHBondContact O-CE2 3.42Å; R903-F905 HydrophobicContact CB-CE2 4.33Å; R903-F905 HydrophobicContact CB-CZ 4.3Å; R903-F905 HydrophobicContact CG-CD1 4.46Å; R903-F905 HydrophobicContact CG-CE1 4.36Å; R903-F905 HydrophobicContact CG-CZ 4.48Å; F905-D909 HydrophobicContact CD1-CB 4.37Å; F905-I910 HydrophobicContact CB-CD1 3.78Å; F905-I910 HydrophobicContact CB-CG1 4.28Å; F905-I910 HydrophobicContact CG-CD1 4.27Å; F905-A956 HydrophobicContact CB-CB 4.32Å; F905-I959 HydrophobicContact CD2-CG2 3.8Å; F905-I959 HydrophobicContact CE2-CG2 3.57Å; F905-I959 HydrophobicContact CZ-CG2 4.28Å
906	Q	92.1	Very high	94.7	Very high	123 Å²	123	45.4 Å²	45.4	58%	0.575	22%	0.222	S	C	*	.			trans	-77.3	154.6	173.9	-57.6	-58.9	-53.3	0	0	109.8	Q908 D909 I910	Q906-Q908 PolarHBondContact O-N 3.42Å; Q906-Q908 VanDerWaalsContact O-N 3.13Å; Q906-D909 PolarHBondContact N-OD2 3.39Å; Q906-D909 WeakPolarHBondContact O-CB 3.43Å; Q906-D909 PolarHBondContact O-N 3.28Å; Q906-I910 PolarHBondContact O-N 2.65Å
907	D	93.1	Very high	94.7	Very high	137 Å²	137	45.4 Å²	45.4	73%	0.733	22%	0.222	S	C	*	.	H	α-helix	trans	-55.8	-34.1	178.1	-70.7	-19.2	0	0	0	112.4	I910 K911	D907-I910 PolarHBondContact O-N 2.86Å; D907-K911 WeakPolarHBondContact O-CB 3.19Å; D907-K911 PolarHBondContact O-N 2.96Å
908	Q	92.5	Very high	94.7	Very high	75 Å²	75	45.3 Å²	45.3	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-38.4	175.8	-172.7	60.2	32.6	0	0	112.6	C527 Q906 I910 K911 E912	C527-Q908 PolarHBondContact SG-NE2 2.85Å; Q906-Q908 PolarHBondContact O-N 3.42Å; Q906-Q908 VanDerWaalsContact O-N 3.13Å; Q908-I910 VanDerWaalsContact C-N 3.32Å; Q908-I910 PolarHBondContact O-N 2.58Å; Q908-K911 PolarHBondContact O-N 2.77Å; Q908-E912 WeakPolarHBondContact CG-OE1 3.49Å; Q908-E912 PolarHBondContact NE2-OE1 3.02Å; Q908-E912 WeakPolarHBondContact O-CG 3.5Å; Q908-E912 PolarHBondContact O-N 3.26Å
909	D	93.4	Very high	94.7	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-42.7	176	-61.2	-51.1	0	0	0	110.2	L848 K852 F905 Q906 A913	L848-D909 HydrophobicContact CD2-CB 3.86Å; L848-D909 WeakPolarHBondContact CD2-O 3.34Å; K852-D909 WeakPolarHBondContact CE-OD1 3.42Å; K852-D909 IonicContact NZ-OD1 2.84Å; K852-D909 PolarHBondContact NZ-OD1 2.81Å; F905-D909 HydrophobicContact CD1-CB 4.37Å; Q906-D909 PolarHBondContact N-OD2 3.39Å; Q906-D909 WeakPolarHBondContact O-CB 3.43Å; Q906-D909 PolarHBondContact O-N 3.28Å; D909-A913 WeakPolarHBondContact O-CB 3.17Å; D909-A913 PolarHBondContact O-N 2.96Å
910	I	96.4	Very high	94.6	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-42.7	178.2	-56.2	-54.1	0	0	0	110.8	L848 F905 Q906 D907 Q908 A913 K914 A956 I959	L848-I910 HydrophobicContact CD1-CD1 3.82Å; F905-I910 HydrophobicContact CB-CD1 3.78Å; F905-I910 HydrophobicContact CB-CG1 4.28Å; F905-I910 HydrophobicContact CG-CD1 4.27Å; Q906-I910 PolarHBondContact O-N 2.65Å; D907-I910 PolarHBondContact O-N 2.86Å; Q908-I910 VanDerWaalsContact C-N 3.32Å; Q908-I910 PolarHBondContact O-N 2.58Å; I910-A913 PolarHBondContact O-N 2.83Å; I910-K914 HydrophobicContact CG2-CD 4.36Å; I910-K914 WeakPolarHBondContact O-CG 3.47Å; I910-K914 PolarHBondContact O-N 3.46Å; I910-A956 HydrophobicContact CD1-CB 4.43Å; I910-A956 HydrophobicContact CG1-CB 4.28Å; I910-I959 HydrophobicContact CD1-CG1 3.87Å
911	K	95.8	Very high	94.5	Very high	38 Å²	38	45.5 Å²	45.5	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-49.7	176.4	176.8	178.5	167.4	-178.4	0	111.2	L528 D529 D907 Q908 A913 K914 L915	L528-K911 WeakPolarHBondContact O-CE 3.46Å; L528-K911 PolarHBondContact O-NZ 3.4Å; D529-K911 IonicContact OD2-NZ 3.82Å; D529-K911 PolarHBondContact OD2-NZ 3.2Å; D907-K911 WeakPolarHBondContact O-CB 3.19Å; D907-K911 PolarHBondContact O-N 2.96Å; Q908-K911 PolarHBondContact O-N 2.77Å; K911-A913 PolarHBondContact O-N 3.15Å; K911-K914 WeakPolarHBondContact O-CB 3.26Å; K911-K914 PolarHBondContact O-N 2.7Å; K911-L915 HydrophobicContact CG-CD1 4.5Å; K911-L915 WeakPolarHBondContact O-CG 3.45Å; K911-L915 PolarHBondContact O-N 3.24Å
912	E	95.5	Very high	94.5	Very high	5 Å²	5	46 Å²	46	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-44.6	179.3	-76.3	166.7	-161.1	0	0	112.3	H96 R97 F851 Q908 K914 L915 S916	H96-E912 HydrophobicContact CB-CB 4.25Å; H96-E912 IonicContact CD2-OE2 3.12Å; H96-E912 PolarHBondContact CD2-OE2 3.22Å; H96-E912 IonicContact NE2-OE2 3.7Å; H96-E912 PolarHBondContact NE2-OE2 2.85Å; H96-E912 CarbonylContact O-C 3.5Å; H96-E912 WeakPolarHBondContact O-CA 3.36Å; H96-E912 VanDerWaalsContact O-CB 3.31Å; H96-E912 WeakPolarHBondContact O-CB 3.48Å; H96-E912 VanDerWaalsContact O-O 3.08Å; R97-E912 HydrophobicContact CG-CG 4.11Å; R97-E912 IonicContact CZ-OE1 2.81Å; R97-E912 IonicContact NE-OE1 2.64Å; R97-E912 IonicContact NH1-OE1 3.29Å; R97-E912 PolarHBondContact NH1-OE1 3.07Å; R97-E912 VanDerWaalsContact NH2-CD 3.31Å; R97-E912 IonicContact NH2-OE1 3.42Å; R97-E912 PolarHBondContact NH2-OE1 2.63Å; R97-E912 IonicContact NH2-OE2 4Å; R97-E912 PolarHBondContact NH2-OE2 2.93Å; F851-E912 HydrophobicContact CZ-CB 4.3Å; Q908-E912 WeakPolarHBondContact CG-OE1 3.49Å; Q908-E912 PolarHBondContact NE2-OE1 3.02Å; Q908-E912 WeakPolarHBondContact O-CG 3.5Å; Q908-E912 PolarHBondContact O-N 3.26Å; E912-K914 VanDerWaalsContact C-N 3.32Å; E912-K914 PolarHBondContact O-N 3.01Å; E912-L915 WeakPolarHBondContact O-CB 3.41Å; E912-L915 PolarHBondContact O-N 3.34Å; E912-L915 VanDerWaalsContact O-N 3.17Å; E912-S916 PolarHBondContact O-N 3.06Å; E912-S916 VanDerWaalsContact O-N 3.11Å
913	A	96.6	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-37.4	175.5	0	0	0	0	0	112.6	V844 H847 L848 F851 D909 I910 K911 S916 V917	V844-A913 HydrophobicContact CG1-CB 3.64Å; H847-A913 HydrophobicContact CB-CB 4.09Å; L848-A913 HydrophobicContact CD2-CB 3.9Å; L848-A913 HydrophobicContact CG-CB 3.74Å; F851-A913 HydrophobicContact CE1-CB 3.97Å; F851-A913 HydrophobicContact CZ-CB 4.07Å; D909-A913 WeakPolarHBondContact O-CB 3.17Å; D909-A913 PolarHBondContact O-N 2.96Å; I910-A913 PolarHBondContact O-N 2.83Å; K911-A913 PolarHBondContact O-N 3.15Å; A913-S916 PolarHBondContact O-N 2.97Å; A913-V917 WeakPolarHBondContact O-CG2 3.3Å; A913-V917 PolarHBondContact O-N 2.62Å
914	K	97.2	Very high	94.5	Very high	26 Å²	26	42.2 Å²	42.2	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-42.4	172.3	-73.8	175.3	-178.4	180	0	112	I530 V844 I910 K911 E912 S916 V917 F918 V951 F952 V954	I530-K914 HydrophobicContact CD1-CB 4.25Å; I530-K914 HydrophobicContact CD1-CD 4.45Å; V844-K914 HydrophobicContact CG2-CG 4.13Å; I910-K914 HydrophobicContact CG2-CD 4.36Å; I910-K914 WeakPolarHBondContact O-CG 3.47Å; I910-K914 PolarHBondContact O-N 3.46Å; K911-K914 WeakPolarHBondContact O-CB 3.26Å; K911-K914 PolarHBondContact O-N 2.7Å; E912-K914 VanDerWaalsContact C-N 3.32Å; E912-K914 PolarHBondContact O-N 3.01Å; K914-S916 VanDerWaalsContact C-N 3.31Å; K914-S916 PolarHBondContact O-N 3.37Å; K914-V917 WeakPolarHBondContact O-CA 3.27Å; K914-V917 WeakPolarHBondContact O-CB 3.41Å; K914-V917 PolarHBondContact O-N 2.84Å; K914-F918 HydrophobicContact CB-CD2 4.36Å; K914-F918 HydrophobicContact CB-CE2 4.19Å; K914-F918 WeakPolarHBondContact O-CD2 3.4Å; K914-F918 PolarHBondContact O-N 3.19Å; K914-V951 HydrophobicContact CB-CG1 4.47Å; K914-V951 WeakPolarHBondContact CE-O 3.45Å; K914-V951 HydrophobicContact CG-CG1 4.27Å; K914-F952 PolarHBondContact NZ-O 2.9Å; K914-V954 WeakPolarHBondContact CE-O 3.47Å; K914-V954 PolarHBondContact NZ-O 3.13Å
915	L	96.4	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-44.6	177.3	-71	172.4	0	0	0	111.2	L528 V533 K911 E912 V917 F918 Q919	L528-L915 HydrophobicContact CB-CD1 4.17Å; L528-L915 HydrophobicContact CB-CD2 4.15Å; V533-L915 HydrophobicContact CG2-CD2 3.62Å; K911-L915 HydrophobicContact CG-CD1 4.5Å; K911-L915 WeakPolarHBondContact O-CG 3.45Å; K911-L915 PolarHBondContact O-N 3.24Å; E912-L915 WeakPolarHBondContact O-CB 3.41Å; E912-L915 PolarHBondContact O-N 3.34Å; E912-L915 VanDerWaalsContact O-N 3.17Å; L915-V917 VanDerWaalsContact C-N 3.3Å; L915-V917 PolarHBondContact O-N 3.22Å; L915-F918 CarbonylContact O-C 3.52Å; L915-F918 PolarHBondContact O-N 3.19Å; L915-F918 VanDerWaalsContact O-N 3.17Å; L915-Q919 WeakPolarHBondContact O-CB 3.47Å; L915-Q919 PolarHBondContact O-N 3.22Å
916	S	95.8	Very high	94.5	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-35.5	174.4	-60.6	0	0	0	0	113.3	H96 H847 E912 A913 K914 Q919 A920	H96-S916 VanDerWaalsContact CA-OG 3.3Å; H96-S916 WeakPolarHBondContact CA-OG 3.49Å; H96-S916 WeakPolarHBondContact CB-OG 3.27Å; H847-S916 VanDerWaalsContact CE1-CB 3.4Å; H847-S916 WeakPolarHBondContact CE1-CB 3.43Å; H847-S916 VanDerWaalsContact ND1-CB 3.33Å; H847-S916 WeakPolarHBondContact ND1-CB 3.45Å; E912-S916 PolarHBondContact O-N 3.06Å; E912-S916 VanDerWaalsContact O-N 3.11Å; A913-S916 PolarHBondContact O-N 2.97Å; K914-S916 VanDerWaalsContact C-N 3.31Å; K914-S916 PolarHBondContact O-N 3.37Å; S916-Q919 WeakPolarHBondContact O-CB 3.36Å; S916-A920 PolarHBondContact O-N 2.84Å
917	V	96.9	Very high	94.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-43.2	174.2	174.7	0	0	0	0	110.9	R843 V844 A913 K914 L915 A920 L921 V951	R843-V917 HydrophobicContact CB-CG1 4.33Å; R843-V917 HydrophobicContact CB-CG2 3.82Å; R843-V917 PolarHBondContact NH2-O 2.93Å; V844-V917 HydrophobicContact CG2-CG2 4.05Å; A913-V917 WeakPolarHBondContact O-CG2 3.3Å; A913-V917 PolarHBondContact O-N 2.62Å; K914-V917 WeakPolarHBondContact O-CA 3.27Å; K914-V917 WeakPolarHBondContact O-CB 3.41Å; K914-V917 PolarHBondContact O-N 2.84Å; L915-V917 VanDerWaalsContact C-N 3.3Å; L915-V917 PolarHBondContact O-N 3.22Å; V917-A920 PolarHBondContact O-N 3.1Å; V917-L921 HydrophobicContact CG1-CD1 4.16Å; V917-L921 WeakPolarHBondContact O-CG 3.23Å; V917-L921 PolarHBondContact O-N 3.14Å; V917-V951 HydrophobicContact CB-CG1 4.06Å; V917-V951 HydrophobicContact CG1-CB 4.35Å; V917-V951 HydrophobicContact CG1-CG1 3.66Å; V917-V951 HydrophobicContact CG1-CG2 3.69Å
918	F	96.2	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.5	-34.7	178.3	-70.8	-54.9	0	0	0	113.2	I530 V533 K914 L915 A920 L921 D922 R948 V951 F952	I530-F918 HydrophobicContact CD1-CD2 4.18Å; I530-F918 HydrophobicContact CD1-CE2 3.89Å; V533-F918 HydrophobicContact CG1-CB 3.96Å; V533-F918 HydrophobicContact CG1-CD1 4.12Å; V533-F918 HydrophobicContact CG1-CD2 3.88Å; V533-F918 HydrophobicContact CG1-CE2 4.4Å; V533-F918 HydrophobicContact CG1-CG 3.72Å; V533-F918 HydrophobicContact CG2-CD2 4.37Å; K914-F918 HydrophobicContact CB-CD2 4.36Å; K914-F918 HydrophobicContact CB-CE2 4.19Å; K914-F918 WeakPolarHBondContact O-CD2 3.4Å; K914-F918 PolarHBondContact O-N 3.19Å; L915-F918 CarbonylContact O-C 3.52Å; L915-F918 PolarHBondContact O-N 3.19Å; L915-F918 VanDerWaalsContact O-N 3.17Å; F918-A920 PolarHBondContact O-N 3.46Å; F918-L921 HydrophobicContact CD1-CD1 3.94Å; F918-L921 HydrophobicContact CE1-CD1 4.18Å; F918-L921 PolarHBondContact O-N 2.64Å; F918-D922 WeakPolarHBondContact O-CB 3.36Å; F918-D922 PolarHBondContact O-N 2.69Å; F918-R948 HydrophobicContact CE1-CG 3.9Å; F918-V951 HydrophobicContact CD2-CG1 4.37Å; F918-V951 HydrophobicContact CE1-CB 4Å; F918-V951 HydrophobicContact CE1-CG1 3.84Å; F918-V951 HydrophobicContact CE2-CG1 3.73Å; F918-V951 HydrophobicContact CZ-CB 3.77Å; F918-V951 HydrophobicContact CZ-CG1 3.43Å; F918-V951 VanDerWaalsContact CZ-CG1 3.43Å; F918-F952 HydrophobicContact CE1-CD2 4.33Å; F918-F952 HydrophobicContact CE1-CE2 4.04Å; F918-F952 HydrophobicContact CE1-CZ 4.21Å; F918-F952 AromaticContact CE2-CD1 3.87Å; F918-F952 HydrophobicContact CE2-CD1 3.87Å; F918-F952 AromaticContact CE2-CE1 3.68Å; F918-F952 HydrophobicContact CE2-CE1 3.68Å; F918-F952 HydrophobicContact CE2-CE2 4.47Å; F918-F952 HydrophobicContact CE2-CG 4.33Å; F918-F952 HydrophobicContact CE2-CZ 4.01Å; F918-F952 AromaticContact CZ-CD1 3.75Å; F918-F952 HydrophobicContact CZ-CD1 3.75Å; F918-F952 AromaticContact CZ-CD2 3.72Å; F918-F952 HydrophobicContact CZ-CD2 3.72Å; F918-F952 AromaticContact CZ-CE1 3.7Å; F918-F952 HydrophobicContact CZ-CE1 3.7Å; F918-F952 AromaticContact CZ-CE2 3.68Å; F918-F952 HydrophobicContact CZ-CE2 3.68Å; F918-F952 AromaticContact CZ-CG 3.76Å; F918-F952 HydrophobicContact CZ-CG 3.76Å; F918-F952 AromaticContact CZ-CZ 3.66Å; F918-F952 HydrophobicContact CZ-CZ 3.66Å
919	Q	94.5	Very high	94.3	Very high	45 Å²	45	24.7 Å²	24.7	21%	0.21	14%	0.14	C	C	.	.	H	α-helix	trans	-52.1	-43.3	171.6	-178.3	-172.9	27.6	0	0	111.5	T95 A100 L915 S916 Y923	T95-Q919 PolarHBondContact O-OE1 3.39Å; A100-Q919 WeakPolarHBondContact O-CG 3.28Å; A100-Q919 PolarHBondContact O-NE2 3.15Å; L915-Q919 WeakPolarHBondContact O-CB 3.47Å; L915-Q919 PolarHBondContact O-N 3.22Å; S916-Q919 WeakPolarHBondContact O-CB 3.36Å; Q919-Y923 PolarHBondContact O-N 2.94Å
920	A	93.6	Very high	94.2	Very high	61 Å²	61	28 Å²	28	50%	0.504	15%	0.151	S	C	.	.	H	α-helix	trans	-75.7	-30.8	176.1	0	0	0	0	0	113.7	S916 V917 F918	S916-A920 PolarHBondContact O-N 2.84Å; V917-A920 PolarHBondContact O-N 3.1Å; F918-A920 PolarHBondContact O-N 3.46Å
921	L	94.1	Very high	94.1	Very high	52 Å²	52	27.8 Å²	27.8	27%	0.272	15%	0.151	S	C	.	.	H	α-helix	trans	-76.5	-35.5	178.7	-73.8	175.3	0	0	0	113.1	R843 V917 F918 Y923 V951	R843-L921 VanDerWaalsContact NH1-CD2 3.28Å; V917-L921 HydrophobicContact CG1-CD1 4.16Å; V917-L921 WeakPolarHBondContact O-CG 3.23Å; V917-L921 PolarHBondContact O-N 3.14Å; F918-L921 HydrophobicContact CD1-CD1 3.94Å; F918-L921 HydrophobicContact CE1-CD1 4.18Å; F918-L921 PolarHBondContact O-N 2.64Å; L921-Y923 VanDerWaalsContact C-N 3.32Å; L921-V951 HydrophobicContact CD1-CG2 4.48Å
922	D	93.3	Very high	94	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.214	15%	0.148	C	C	.	.	S	Bend	trans	-96.6	10.7	-175.3	-62.3	-22.5	0	0	0	112	Q99 F918 R948	Q99-D922 PolarHBondContact NE2-OD2 3.23Å; Q99-D922 VanDerWaalsContact NE2-OD2 3.11Å; F918-D922 WeakPolarHBondContact O-CB 3.36Å; F918-D922 PolarHBondContact O-N 2.69Å; D922-R948 IonicContact OD1-CZ 3.37Å; D922-R948 IonicContact OD1-NH1 2.62Å; D922-R948 PolarHBondContact OD1-NH1 2.78Å; D922-R948 IonicContact OD1-NH2 3.09Å; D922-R948 PolarHBondContact OD1-NH2 3.34Å; D922-R948 IonicContact OD2-CZ 3.98Å; D922-R948 IonicContact OD2-NH1 3.33Å; D922-R948 PolarHBondContact OD2-NH1 2.61Å; D922-R948 IonicContact OD2-NH2 2.62Å; D922-R948 PolarHBondContact OD2-NH2 2.95Å
923	Y	94	Very high	94	Very high	82 Å²	82	28.9 Å²	28.9	32%	0.322	16%	0.16	S	C	.	.			trans	-58.7	134.4	177.6	-168.4	-86.2	0	0	0	110.6	T101 R410 Q919 L921	T101-Y923 WeakPolarHBondContact O-CE2 3.45Å; R410-Y923 WeakPolarHBondContact CD-OH 3.14Å; R410-Y923 WeakPolarHBondContact CG-OH 3.3Å; R410-Y923 PolarHBondContact NE-OH 3.01Å; Q919-Y923 PolarHBondContact O-N 2.94Å; L921-Y923 VanDerWaalsContact C-N 3.32Å
924	P	93.2	Very high	94	Very high	18 Å²	18	32.5 Å²	32.5	12%	0.117	17%	0.174	C	C	.	.			trans	-61.3	141.4	-176.6	0.1	-3.3	0	0	0	113.1	N53 T101 M119 A409	N53-P924 HydrophobicContact CB-CG 4.18Å; T101-P924 HydrophobicContact CG2-CG 3.71Å; M119-P924 HydrophobicContact CG-CG 4.17Å; M119-P924 HydrophobicContact SD-CB 3.84Å; M119-P924 HydrophobicContact SD-CG 3.59Å; M119-P924 VanDerWaalsContact SD-CG 3.59Å; A409-P924 HydrophobicContact CB-CB 4.28Å; A409-P924 VanDerWaalsContact CB-O 3.22Å; A409-P924 WeakPolarHBondContact CB-O 3.46Å
925	V	92.3	Very high	93.9	Very high	50 Å²	50	31.5 Å²	31.5	30%	0.303	17%	0.17	S	C	.	.			trans	-111.8	130.2	176.2	-175.3	0	0	0	0	109.1	R930	V925-R930 HydrophobicContact CG1-CG 4.14Å
926	S	92	Very high	93.9	Very high	24 Å²	24	32.8 Å²	32.8	17%	0.168	18%	0.177	C	C	.	.			trans	-62.8	155	175.9	52.5	0	0	0	0	111	E407 G928 S929 R930	E407-S926 VanDerWaalsContact O-CB 3.28Å; E407-S926 WeakPolarHBondContact O-CB 3.41Å; S926-G928 VanDerWaalsContact C-N 3.29Å; S926-G928 PolarHBondContact O-N 3.16Å; S926-S929 PolarHBondContact O-N 2.85Å; S926-S929 WeakPolarHBondContact OG-CB 3.2Å; S926-S929 PolarHBondContact OG-OG 2.99Å; S926-S929 VanDerWaalsContact OG-OG 3.1Å; S926-R930 PolarHBondContact O-N 3.2Å
927	A	88.7	Confident	93.8	Very high	10 Å²	10	35 Å²	35	8%	0.083	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-56.2	-43.5	-178.6	0	0	0	0	0	112.6	A557 A558 T559 S929	A557-A927 HydrophobicContact CB-CB 4.17Å; A557-A927 WeakPolarHBondContact CB-O 3.33Å; A558-A927 WeakPolarHBondContact O-CB 3.47Å; T559-A927 HydrophobicContact CG2-CB 4.11Å; A927-S929 PolarHBondContact O-N 2.66Å
928	G	90.2	Very high	93.7	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.8	1.5	178.6	0	0	0	0	0	115.6	H766 S926	H766-G928 PolarHBondContact CD2-O 2.85Å; S926-G928 VanDerWaalsContact C-N 3.29Å; S926-G928 PolarHBondContact O-N 3.16Å
929	S	93.5	Very high	93.6	Very high	41 Å²	41	37.6 Å²	37.6	29%	0.287	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-123.4	1.4	-179.2	-58.9	0	0	0	0	114.3	S926 A927 L932	S926-S929 PolarHBondContact O-N 2.85Å; S926-S929 WeakPolarHBondContact OG-CB 3.2Å; S926-S929 PolarHBondContact OG-OG 2.99Å; S926-S929 VanDerWaalsContact OG-OG 3.1Å; A927-S929 PolarHBondContact O-N 2.66Å; S929-L932 VanDerWaalsContact O-CB 3.31Å; S929-L932 WeakPolarHBondContact O-CB 3.47Å; S929-L932 WeakPolarHBondContact O-CG 3.34Å; S929-L932 PolarHBondContact O-N 2.88Å
930	R	91.9	Very high	93.6	Very high	83 Å²	83	37.2 Å²	37.2	31%	0.313	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	132.5	178.5	-66.4	-177.9	-173.1	159.7	6	110.9	E540 N555 H766 V925 S926 L932	E540-R930 HydrophobicContact CG-CB 4.43Å; N555-R930 PolarHBondContact OD1-O 2.82Å; H766-R930 PolarHBondContact CD2-O 3.39Å; H766-R930 PolarHBondContact NE2-O 3.24Å; V925-R930 HydrophobicContact CG1-CG 4.14Å; S926-R930 PolarHBondContact O-N 3.2Å; R930-L932 VanDerWaalsContact C-N 3.26Å; R930-L932 PolarHBondContact O-N 3.22Å
931	G	93.6	Very high	93.7	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-9.7	-177	0	0	0	0	0	113.7	E540 Q553 T933 Y934 F935	E540-G931 PolarHBondContact OE2-N 3.37Å; Q553-G931 PolarHBondContact NE2-O 2.69Å; G931-T933 PolarHBondContact O-N 3.35Å; G931-Y934 PolarHBondContact O-N 3.04Å; G931-F935 PolarHBondContact O-N 3.04Å
932	L	95.4	Very high	93.7	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-29.8	177.3	-75.7	-176.5	0	0	0	113	H766 S929 R930 Y934 F935 L936	H766-L932 VanDerWaalsContact CE1-CD2 3.41Å; H766-L932 WeakPolarHBondContact CE1-CD2 3.14Å; S929-L932 VanDerWaalsContact O-CB 3.31Å; S929-L932 WeakPolarHBondContact O-CB 3.47Å; S929-L932 WeakPolarHBondContact O-CG 3.34Å; S929-L932 PolarHBondContact O-N 2.88Å; R930-L932 VanDerWaalsContact C-N 3.26Å; R930-L932 PolarHBondContact O-N 3.22Å; L932-Y934 VanDerWaalsContact C-N 3.26Å; L932-Y934 PolarHBondContact O-N 3.2Å; L932-F935 HydrophobicContact CD2-CB 4.4Å; L932-F935 HydrophobicContact CD2-CD1 4.12Å; L932-F935 PolarHBondContact O-N 2.97Å; L932-F935 VanDerWaalsContact O-N 3.14Å; L932-L936 HydrophobicContact CB-CD1 4.19Å; L932-L936 HydrophobicContact CB-CG 4.45Å; L932-L936 VanDerWaalsContact O-CB 3.27Å; L932-L936 WeakPolarHBondContact O-CB 3.34Å; L932-L936 WeakPolarHBondContact O-CG 3.24Å; L932-L936 PolarHBondContact O-N 3.47Å
933	T	95	Very high	93.8	Very high	47 Å²	47	39.8 Å²	39.8	29%	0.288	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-40.6	176	-60.8	0	0	0	0	111.8	G931 N937 I939	G931-T933 PolarHBondContact O-N 3.35Å; T933-N937 WeakPolarHBondContact O-CB 3.41Å; T933-N937 PolarHBondContact O-N 3.39Å; T933-I939 HydrophobicContact CG2-CB 3.88Å; T933-I939 HydrophobicContact CG2-CG2 4.1Å
934	Y	95.6	Very high	93.9	Very high	76 Å²	76	37.5 Å²	37.5	30%	0.298	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-46.2	173.8	176.8	-96.4	0	0	0	111.2	F542 L544 G931 L932 L936 G938 I939	F542-Y934 HydrophobicContact CD2-CD1 4.45Å; F542-Y934 AromaticContact CE1-CD1 3.82Å; F542-Y934 HydrophobicContact CE1-CD1 3.82Å; F542-Y934 HydrophobicContact CE1-CD2 4.35Å; F542-Y934 AromaticContact CE1-CG 3.71Å; F542-Y934 HydrophobicContact CE1-CG 3.71Å; F542-Y934 AromaticContact CE2-CD1 3.63Å; F542-Y934 HydrophobicContact CE2-CD1 3.63Å; F542-Y934 AromaticContact CE2-CE1 3.61Å; F542-Y934 HydrophobicContact CE2-CE1 3.61Å; F542-Y934 HydrophobicContact CE2-CG 4.26Å; F542-Y934 AromaticContact CZ-CD1 3.26Å; F542-Y934 HydrophobicContact CZ-CD1 3.26Å; F542-Y934 AromaticContact CZ-CD2 3.86Å; F542-Y934 HydrophobicContact CZ-CD2 3.86Å; F542-Y934 AromaticContact CZ-CE1 3.56Å; F542-Y934 HydrophobicContact CZ-CE1 3.56Å; F542-Y934 HydrophobicContact CZ-CE2 4.1Å; F542-Y934 AromaticContact CZ-CG 3.43Å; F542-Y934 HydrophobicContact CZ-CG 3.43Å; F542-Y934 VanDerWaalsContact CZ-CG 3.43Å; F542-Y934 AromaticContact CZ-CZ 3.95Å; L544-Y934 HydrophobicContact CD1-CE1 4.47Å; L544-Y934 HydrophobicContact CD2-CE1 4.1Å; G931-Y934 PolarHBondContact O-N 3.04Å; L932-Y934 VanDerWaalsContact C-N 3.26Å; L932-Y934 PolarHBondContact O-N 3.2Å; Y934-L936 PolarHBondContact O-N 2.66Å; Y934-G938 WeakPolarHBondContact O-CA 3.17Å; Y934-G938 PolarHBondContact O-N 3.22Å; Y934-I939 WeakPolarHBondContact CA-O 3.38Å
935	F	96.8	Very high	94.1	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-48.2	-178.3	-178.5	-114.4	0	0	0	112.9	H566 L568 K762 F763 G931 L932	H566-F935 HydrophobicContact CB-CD1 4.36Å; H566-F935 HydrophobicContact CB-CE1 3.8Å; L568-F935 HydrophobicContact CB-CE1 4.44Å; L568-F935 HydrophobicContact CB-CZ 4.16Å; L568-F935 HydrophobicContact CD1-CD1 3.97Å; L568-F935 HydrophobicContact CD1-CE1 3.65Å; L568-F935 HydrophobicContact CD1-CE2 4.46Å; L568-F935 HydrophobicContact CD1-CZ 3.92Å; L568-F935 WeakPolarHBondContact CD1-O 3.47Å; L568-F935 HydrophobicContact CG-CD1 4.44Å; L568-F935 HydrophobicContact CG-CE1 3.66Å; L568-F935 HydrophobicContact CG-CZ 3.88Å; K762-F935 HydrophobicContact CB-CE2 4.33Å; K762-F935 HydrophobicContact CD-CD2 4.48Å; K762-F935 HydrophobicContact CD-CE2 3.96Å; K762-F935 HydrophobicContact CG-CE2 3.77Å; K762-F935 HydrophobicContact CG-CZ 4.13Å; K762-F935 PolarHBondContact NZ-O 3.44Å; K762-F935 WeakPolarHBondContact O-CZ 3.41Å; F763-F935 WeakPolarHBondContact O-CE2 3.45Å; G931-F935 PolarHBondContact O-N 3.04Å; L932-F935 HydrophobicContact CD2-CB 4.4Å; L932-F935 HydrophobicContact CD2-CD1 4.12Å; L932-F935 PolarHBondContact O-N 2.97Å; L932-F935 VanDerWaalsContact O-N 3.14Å
936	L	96.1	Very high	94.3	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.141	21%	0.214	C	C	.	.	H	α-helix	trans	-81.3	-45.7	-174.3	-63.6	179.1	0	0	0	111.8	L568 F618 L932 Y934	L568-L936 HydrophobicContact CD1-CD2 3.91Å; L568-L936 HydrophobicContact CD2-CD2 4.16Å; L568-L936 HydrophobicContact CG-CD2 4.27Å; F618-L936 HydrophobicContact CE1-CB 4.18Å; F618-L936 VanDerWaalsContact CE1-O 3.25Å; F618-L936 WeakPolarHBondContact CE1-O 3.34Å; F618-L936 HydrophobicContact CE2-CB 4.39Å; F618-L936 HydrophobicContact CZ-CB 3.72Å; L932-L936 HydrophobicContact CB-CD1 4.19Å; L932-L936 HydrophobicContact CB-CG 4.45Å; L932-L936 VanDerWaalsContact O-CB 3.27Å; L932-L936 WeakPolarHBondContact O-CB 3.34Å; L932-L936 WeakPolarHBondContact O-CG 3.24Å; L932-L936 PolarHBondContact O-N 3.47Å; Y934-L936 PolarHBondContact O-N 2.66Å
937	N	94	Very high	94.6	Very high	52 Å²	52	37.4 Å²	37.4	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-108.5	-8.1	-170.7	-57.2	102.1	0	0	0	114.5	T620 T933 I939	T620-N937 PolarHBondContact OG1-ND2 2.87Å; T933-N937 WeakPolarHBondContact O-CB 3.41Å; T933-N937 PolarHBondContact O-N 3.39Å; N937-I939 HydrophobicContact CB-CD1 3.76Å; N937-I939 HydrophobicContact CB-CG1 3.94Å; N937-I939 PolarHBondContact O-N 3.45Å
938	G	93.2	Very high	95	Very high	36 Å²	36	37.1 Å²	37.1	37%	0.371	20%	0.203	S	C	.	.			trans	70.3	13.9	-173.4	0	0	0	0	0	113.7	Y934 S940	Y934-G938 WeakPolarHBondContact O-CA 3.17Å; Y934-G938 PolarHBondContact O-N 3.22Å; G938-S940 PolarHBondContact O-N 3.11Å
939	I	94.6	Very high	95.3	Very high	17 Å²	17	41.1 Å²	41.1	9%	0.087	23%	0.225	C	C	.	.			trans	-87	108.9	-179	-64.3	167	0	0	0	108.8	I623 Y834 T933 Y934 N937 L943 R944	I623-I939 HydrophobicContact CD1-CD1 4.26Å; I623-I939 HydrophobicContact CD1-CG1 3.43Å; I623-I939 VanDerWaalsContact CD1-CG1 3.43Å; Y834-I939 HydrophobicContact CD1-CD1 4Å; Y834-I939 HydrophobicContact CD1-CG1 4.07Å; Y834-I939 HydrophobicContact CD1-CG2 4.41Å; Y834-I939 HydrophobicContact CD2-CD1 4.05Å; Y834-I939 HydrophobicContact CE1-CD1 4.03Å; Y834-I939 HydrophobicContact CE1-CG1 4.13Å; Y834-I939 HydrophobicContact CE1-CG2 3.68Å; Y834-I939 HydrophobicContact CE2-CD1 4.08Å; Y834-I939 HydrophobicContact CG-CD1 4.02Å; T933-I939 HydrophobicContact CG2-CB 3.88Å; T933-I939 HydrophobicContact CG2-CG2 4.1Å; Y934-I939 WeakPolarHBondContact CA-O 3.38Å; N937-I939 HydrophobicContact CB-CD1 3.76Å; N937-I939 HydrophobicContact CB-CG1 3.94Å; N937-I939 PolarHBondContact O-N 3.45Å; I939-L943 HydrophobicContact CG1-CD2 4.44Å; I939-L943 HydrophobicContact CG2-CB 4.44Å; I939-L943 HydrophobicContact CG2-CD2 4.37Å; I939-R944 HydrophobicContact CG2-CG 3.53Å
940	S	94.5	Very high	95.5	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	22%	0.217	S	C	.	.			trans	-80.5	163.8	176.3	65	0	0	0	0	112.8	G938 D942 L943 R944	G938-S940 PolarHBondContact O-N 3.11Å; S940-D942 VanDerWaalsContact C-N 3.26Å; S940-D942 PolarHBondContact O-N 3.49Å; S940-L943 WeakPolarHBondContact O-CB 3.49Å; S940-L943 PolarHBondContact O-N 3.12Å; S940-L943 PolarHBondContact OG-N 3.28Å; S940-R944 WeakPolarHBondContact O-CG 3.28Å; S940-R944 PolarHBondContact O-N 3.02Å
941	D	95	Very high	95.8	Very high	39 Å²	39	36.6 Å²	36.6	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-39.8	173.9	-72.4	11.9	0	0	0	112.1	P539 E540 L943 R944 Q945	P539-D941 WeakPolarHBondContact CA-OD2 3.34Å; E540-D941 PolarHBondContact N-OD2 3.3Å; D941-L943 VanDerWaalsContact C-N 3.29Å; D941-L943 PolarHBondContact O-N 3.12Å; D941-R944 PolarHBondContact O-N 2.96Å; D941-R944 IonicContact OD1-CZ 2.95Å; D941-R944 VanDerWaalsContact OD1-CZ 3.25Å; D941-R944 IonicContact OD1-NE 2.95Å; D941-R944 PolarHBondContact OD1-NE 2.76Å; D941-R944 VanDerWaalsContact OD1-NE 3.14Å; D941-R944 IonicContact OD1-NH2 2.61Å; D941-R944 PolarHBondContact OD1-NH2 3.15Å; D941-R944 IonicContact OD2-NH2 2.94Å; D941-R944 PolarHBondContact OD2-NH2 3.5Å; D941-Q945 WeakPolarHBondContact O-CB 3.48Å; D941-Q945 PolarHBondContact O-N 2.92Å
942	D	95.1	Very high	95.9	Very high	136 Å²	136	38.5 Å²	38.5	73%	0.727	21%	0.21	S	C	*	.	H	α-helix	trans	-59.9	-40.4	174.1	-66.7	-24.8	0	0	0	112	S940 Q945 S946	S940-D942 VanDerWaalsContact C-N 3.26Å; S940-D942 PolarHBondContact O-N 3.49Å; D942-Q945 PolarHBondContact O-N 3.3Å; D942-S946 VanDerWaalsContact O-CB 3.27Å; D942-S946 WeakPolarHBondContact O-CB 3.4Å; D942-S946 PolarHBondContact O-N 2.92Å
943	L	95.3	Very high	96	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-73.4	-38.1	178.5	-169.6	61.2	0	0	0	111.5	I623 Y834 D835 I939 S940 D941 Q945 S946 H947	I623-L943 HydrophobicContact CD1-CD2 4.09Å; I623-L943 HydrophobicContact CG2-CD2 3.75Å; Y834-L943 HydrophobicContact CD1-CD2 3.89Å; Y834-L943 HydrophobicContact CD1-CG 4.07Å; Y834-L943 HydrophobicContact CE1-CD2 4.12Å; Y834-L943 HydrophobicContact CE1-CG 3.91Å; D835-L943 HydrophobicContact CB-CD1 4.1Å; D835-L943 HydrophobicContact CB-CD2 4.38Å; I939-L943 HydrophobicContact CG1-CD2 4.44Å; I939-L943 HydrophobicContact CG2-CB 4.44Å; I939-L943 HydrophobicContact CG2-CD2 4.37Å; S940-L943 WeakPolarHBondContact O-CB 3.49Å; S940-L943 PolarHBondContact O-N 3.12Å; S940-L943 PolarHBondContact OG-N 3.28Å; D941-L943 VanDerWaalsContact C-N 3.29Å; D941-L943 PolarHBondContact O-N 3.12Å; L943-Q945 VanDerWaalsContact C-N 3.34Å; L943-S946 PolarHBondContact O-N 3.1Å; L943-H947 WeakPolarHBondContact O-CB 3.37Å; L943-H947 PolarHBondContact O-N 2.97Å
944	R	95.9	Very high	96.1	Very high	34 Å²	34	38.1 Å²	38.1	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-45.1	171.2	-64.1	-168.4	-64.5	151.7	2.3	110.8	R538 E540 I939 S940 D941 H947 R948	R538-R944 PolarHBondContact O-NH2 2.73Å; E540-R944 IonicContact OE1-CZ 3.09Å; E540-R944 IonicContact OE1-NH1 2.98Å; E540-R944 PolarHBondContact OE1-NH1 3.1Å; E540-R944 IonicContact OE1-NH2 3.84Å; I939-R944 HydrophobicContact CG2-CG 3.53Å; S940-R944 WeakPolarHBondContact O-CG 3.28Å; S940-R944 PolarHBondContact O-N 3.02Å; D941-R944 PolarHBondContact O-N 2.96Å; D941-R944 IonicContact OD1-CZ 2.95Å; D941-R944 VanDerWaalsContact OD1-CZ 3.25Å; D941-R944 IonicContact OD1-NE 2.95Å; D941-R944 PolarHBondContact OD1-NE 2.76Å; D941-R944 VanDerWaalsContact OD1-NE 3.14Å; D941-R944 IonicContact OD1-NH2 2.61Å; D941-R944 PolarHBondContact OD1-NH2 3.15Å; D941-R944 IonicContact OD2-NH2 2.94Å; D941-R944 PolarHBondContact OD2-NH2 3.5Å; R944-H947 PolarHBondContact O-N 3.17Å; R944-R948 WeakPolarHBondContact O-CB 3.25Å; R944-R948 PolarHBondContact O-N 2.89Å
945	Q	97.2	Very high	96.1	Very high	38 Å²	38	37.9 Å²	37.9	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-42.1	178.8	-173	58.8	46	0	0	111.9	L535 E536 C537 D941 D942 L943 R948 N949	L535-Q945 PolarHBondContact O-NE2 2.78Å; E536-Q945 VanDerWaalsContact CA-OE1 3.25Å; C537-Q945 PolarHBondContact SG-OE1 2.95Å; D941-Q945 WeakPolarHBondContact O-CB 3.48Å; D941-Q945 PolarHBondContact O-N 2.92Å; D942-Q945 PolarHBondContact O-N 3.3Å; L943-Q945 VanDerWaalsContact C-N 3.34Å; Q945-R948 WeakPolarHBondContact O-CB 3.3Å; Q945-R948 PolarHBondContact O-N 3.04Å; Q945-N949 PolarHBondContact NE2-OD1 2.94Å; Q945-N949 PolarHBondContact O-N 3.39Å; Q945-N949 PolarHBondContact O-ND2 3.42Å; Q945-N949 PolarHBondContact O-OD1 3.13Å
946	S	97	Very high	96.1	Very high	51 Å²	51	39 Å²	39	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-48.8	174.8	-176.6	0	0	0	0	111.1	D942 L943 R948 N949 Q950	D942-S946 VanDerWaalsContact O-CB 3.27Å; D942-S946 WeakPolarHBondContact O-CB 3.4Å; D942-S946 PolarHBondContact O-N 2.92Å; L943-S946 PolarHBondContact O-N 3.1Å; S946-R948 PolarHBondContact O-N 2.8Å; S946-N949 WeakPolarHBondContact O-CB 3.37Å; S946-N949 PolarHBondContact O-N 2.78Å; S946-Q950 VanDerWaalsContact O-CG 3.31Å; S946-Q950 WeakPolarHBondContact O-CG 3.25Å; S946-Q950 PolarHBondContact O-N 3.46Å
947	H	97.4	Very high	96.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-42.8	175.6	-176.8	49.3	0	0	0	112.1	Y834 Y839 R843 L943 R944 N949 Q950 V951	Y834-H947 HydrophobicContact CE1-CB 4.3Å; Y834-H947 AromaticContact CE2-CD2 3.86Å; Y834-H947 AromaticContact CZ-CD2 3.72Å; Y839-H947 AromaticContact CD1-CE1 3.43Å; Y839-H947 VanDerWaalsContact CD1-CE1 3.43Å; Y839-H947 WeakPolarHBondContact CD1-CE1 3.46Å; Y839-H947 AromaticContact CD1-NE2 3.87Å; Y839-H947 AromaticContact CE1-CE1 3.89Å; Y839-H947 AromaticContact CE1-NE2 3.87Å; R843-H947 PolarHBondContact NH1-NE2 3.38Å; L943-H947 WeakPolarHBondContact O-CB 3.37Å; L943-H947 PolarHBondContact O-N 2.97Å; R944-H947 PolarHBondContact O-N 3.17Å; H947-N949 VanDerWaalsContact C-N 3.33Å; H947-N949 PolarHBondContact O-N 3.31Å; H947-Q950 WeakPolarHBondContact O-CB 3.38Å; H947-Q950 PolarHBondContact O-N 3.32Å; H947-Q950 VanDerWaalsContact O-N 3.12Å; H947-V951 WeakPolarHBondContact O-CG2 3.46Å; H947-V951 PolarHBondContact O-N 3.41Å
948	R	97.3	Very high	96.1	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-55.6	-47.4	174	173	168.7	-148.1	92.1	-3.5	111.6	P534 L535 F918 D922 R944 Q945 S946 Q950 V951 F952	P534-R948 PolarHBondContact O-NE 2.88Å; P534-R948 PolarHBondContact O-NH2 3.46Å; L535-R948 VanDerWaalsContact O-CD 3.29Å; L535-R948 WeakPolarHBondContact O-CD 3.48Å; L535-R948 PolarHBondContact O-NE 3.43Å; F918-R948 HydrophobicContact CE1-CG 3.9Å; D922-R948 IonicContact OD1-CZ 3.37Å; D922-R948 IonicContact OD1-NH1 2.62Å; D922-R948 PolarHBondContact OD1-NH1 2.78Å; D922-R948 IonicContact OD1-NH2 3.09Å; D922-R948 PolarHBondContact OD1-NH2 3.34Å; D922-R948 IonicContact OD2-CZ 3.98Å; D922-R948 IonicContact OD2-NH1 3.33Å; D922-R948 PolarHBondContact OD2-NH1 2.61Å; D922-R948 IonicContact OD2-NH2 2.62Å; D922-R948 PolarHBondContact OD2-NH2 2.95Å; R944-R948 WeakPolarHBondContact O-CB 3.25Å; R944-R948 PolarHBondContact O-N 2.89Å; Q945-R948 WeakPolarHBondContact O-CB 3.3Å; Q945-R948 PolarHBondContact O-N 3.04Å; S946-R948 PolarHBondContact O-N 2.8Å; R948-Q950 VanDerWaalsContact C-N 3.31Å; R948-Q950 PolarHBondContact O-N 3.24Å; R948-V951 PolarHBondContact O-N 3.37Å; R948-F952 HydrophobicContact CG-CD2 3.98Å; R948-F952 HydrophobicContact CG-CE2 3.65Å; R948-F952 VanDerWaalsContact O-CD2 3.25Å; R948-F952 WeakPolarHBondContact O-CD2 3.47Å; R948-F952 PolarHBondContact O-N 2.83Å
949	N	97.6	Very high	96.3	Very high	87 Å²	87	40.5 Å²	40.5	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-39	176.3	-66.2	-18	0	0	0	112	Q945 S946 H947 F952 S953	Q945-N949 PolarHBondContact NE2-OD1 2.94Å; Q945-N949 PolarHBondContact O-N 3.39Å; Q945-N949 PolarHBondContact O-ND2 3.42Å; Q945-N949 PolarHBondContact O-OD1 3.13Å; S946-N949 WeakPolarHBondContact O-CB 3.37Å; S946-N949 PolarHBondContact O-N 2.78Å; H947-N949 VanDerWaalsContact C-N 3.33Å; H947-N949 PolarHBondContact O-N 3.31Å; N949-F952 PolarHBondContact O-N 3.26Å; N949-S953 PolarHBondContact O-N 3.42Å; N949-S953 VanDerWaalsContact O-N 3.08Å
950	Q	97.7	Very high	96.4	Very high	29 Å²	29	44.3 Å²	44.3	14%	0.136	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-39.6	175.1	-67.6	166.1	-0.9	0	0	111.8	E837 A840 S946 H947 R948 S953 V954	E837-Q950 HydrophobicContact CG-CG 4.24Å; A840-Q950 HydrophobicContact CB-CB 3.68Å; S946-Q950 VanDerWaalsContact O-CG 3.31Å; S946-Q950 WeakPolarHBondContact O-CG 3.25Å; S946-Q950 PolarHBondContact O-N 3.46Å; H947-Q950 WeakPolarHBondContact O-CB 3.38Å; H947-Q950 PolarHBondContact O-N 3.32Å; H947-Q950 VanDerWaalsContact O-N 3.12Å; R948-Q950 VanDerWaalsContact C-N 3.31Å; R948-Q950 PolarHBondContact O-N 3.24Å; Q950-S953 PolarHBondContact O-N 3.44Å; Q950-S953 VanDerWaalsContact O-N 3.17Å; Q950-S953 PolarHBondContact O-OG 3.04Å; Q950-V954 WeakPolarHBondContact O-CG2 3.31Å; Q950-V954 PolarHBondContact O-N 2.67Å
951	V	97.6	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-43.5	174.3	176.8	0	0	0	0	110.8	A840 V844 K914 V917 F918 L921 H947 R948 S953 V954	A840-V951 HydrophobicContact CB-CG2 3.8Å; V844-V951 HydrophobicContact CG2-CG1 4.47Å; K914-V951 HydrophobicContact CB-CG1 4.47Å; K914-V951 WeakPolarHBondContact CE-O 3.45Å; K914-V951 HydrophobicContact CG-CG1 4.27Å; V917-V951 HydrophobicContact CB-CG1 4.06Å; V917-V951 HydrophobicContact CG1-CB 4.35Å; V917-V951 HydrophobicContact CG1-CG1 3.66Å; V917-V951 HydrophobicContact CG1-CG2 3.69Å; F918-V951 HydrophobicContact CD2-CG1 4.37Å; F918-V951 HydrophobicContact CE1-CB 4Å; F918-V951 HydrophobicContact CE1-CG1 3.84Å; F918-V951 HydrophobicContact CE2-CG1 3.73Å; F918-V951 HydrophobicContact CZ-CB 3.77Å; F918-V951 HydrophobicContact CZ-CG1 3.43Å; F918-V951 VanDerWaalsContact CZ-CG1 3.43Å; L921-V951 HydrophobicContact CD1-CG2 4.48Å; H947-V951 WeakPolarHBondContact O-CG2 3.46Å; H947-V951 PolarHBondContact O-N 3.41Å; R948-V951 PolarHBondContact O-N 3.37Å; V951-S953 PolarHBondContact O-N 2.88Å; V951-V954 PolarHBondContact O-N 3.13Å
952	F	96.8	Very high	96.4	Very high	42 Å²	42	44.9 Å²	44.9	18%	0.184	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-35.4	174.2	-79.6	-64.2	0	0	0	112.4	I530 V533 L535 K914 F918 R948 N949	I530-F952 HydrophobicContact CD1-CD1 4.27Å; I530-F952 HydrophobicContact CD1-CE1 4.02Å; I530-F952 HydrophobicContact CG1-CD1 4.03Å; I530-F952 HydrophobicContact CG1-CE1 3.88Å; V533-F952 HydrophobicContact CB-CZ 4.45Å; V533-F952 HydrophobicContact CG1-CZ 4.03Å; L535-F952 HydrophobicContact CD2-CE1 4.45Å; L535-F952 HydrophobicContact CD2-CE2 4.26Å; L535-F952 HydrophobicContact CD2-CZ 4.07Å; K914-F952 PolarHBondContact NZ-O 2.9Å; F918-F952 HydrophobicContact CE1-CD2 4.33Å; F918-F952 HydrophobicContact CE1-CE2 4.04Å; F918-F952 HydrophobicContact CE1-CZ 4.21Å; F918-F952 AromaticContact CE2-CD1 3.87Å; F918-F952 HydrophobicContact CE2-CD1 3.87Å; F918-F952 AromaticContact CE2-CE1 3.68Å; F918-F952 HydrophobicContact CE2-CE1 3.68Å; F918-F952 HydrophobicContact CE2-CE2 4.47Å; F918-F952 HydrophobicContact CE2-CG 4.33Å; F918-F952 HydrophobicContact CE2-CZ 4.01Å; F918-F952 AromaticContact CZ-CD1 3.75Å; F918-F952 HydrophobicContact CZ-CD1 3.75Å; F918-F952 AromaticContact CZ-CD2 3.72Å; F918-F952 HydrophobicContact CZ-CD2 3.72Å; F918-F952 AromaticContact CZ-CE1 3.7Å; F918-F952 HydrophobicContact CZ-CE1 3.7Å; F918-F952 AromaticContact CZ-CE2 3.68Å; F918-F952 HydrophobicContact CZ-CE2 3.68Å; F918-F952 AromaticContact CZ-CG 3.76Å; F918-F952 HydrophobicContact CZ-CG 3.76Å; F918-F952 AromaticContact CZ-CZ 3.66Å; F918-F952 HydrophobicContact CZ-CZ 3.66Å; R948-F952 HydrophobicContact CG-CD2 3.98Å; R948-F952 HydrophobicContact CG-CE2 3.65Å; R948-F952 VanDerWaalsContact O-CD2 3.25Å; R948-F952 WeakPolarHBondContact O-CD2 3.47Å; R948-F952 PolarHBondContact O-N 2.83Å; N949-F952 PolarHBondContact O-N 3.26Å
953	S	96.2	Very high	96.5	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	21%	0.207	S	C	.	.	H	α-helix	trans	-82.3	-8.8	-177.3	77.5	0	0	0	0	115.4	N949 Q950 V951 D955	N949-S953 PolarHBondContact O-N 3.42Å; N949-S953 VanDerWaalsContact O-N 3.08Å; Q950-S953 PolarHBondContact O-N 3.44Å; Q950-S953 VanDerWaalsContact O-N 3.17Å; Q950-S953 PolarHBondContact O-OG 3.04Å; V951-S953 PolarHBondContact O-N 2.88Å; S953-D955 PolarHBondContact O-N 3.43Å
954	V	97.5	Very high	96.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	21%	0.213	C	C	.	.			trans	-61.2	129.1	177.9	178.8	0	0	0	0	110.8	A840 V844 K914 Q950 V951 I959	A840-V954 HydrophobicContact CB-CG2 4.04Å; V844-V954 HydrophobicContact CB-CG1 4.01Å; V844-V954 HydrophobicContact CG1-CG1 3.95Å; V844-V954 HydrophobicContact CG2-CB 4.17Å; V844-V954 HydrophobicContact CG2-CG1 4.07Å; V844-V954 HydrophobicContact CG2-CG2 4.07Å; K914-V954 WeakPolarHBondContact CE-O 3.47Å; K914-V954 PolarHBondContact NZ-O 3.13Å; Q950-V954 WeakPolarHBondContact O-CG2 3.31Å; Q950-V954 PolarHBondContact O-N 2.67Å; V951-V954 PolarHBondContact O-N 3.13Å; V954-I959 HydrophobicContact CG1-CD1 3.57Å; V954-I959 HydrophobicContact CG1-CG1 3.94Å
955	D	96.3	Very high	96.3	Very high	72 Å²	72	40.9 Å²	40.9	39%	0.385	23%	0.225	S	C	.	.			trans	-126.7	174.9	174.1	66	23.1	0	0	0	110.9	S953 S957 R958 I959	S953-D955 PolarHBondContact O-N 3.43Å; D955-S957 PolarHBondContact O-N 3.25Å; D955-S957 WeakPolarHBondContact OD1-CA 3.39Å; D955-S957 WeakPolarHBondContact OD1-CB 3.5Å; D955-S957 PolarHBondContact OD1-N 3.34Å; D955-S957 PolarHBondContact OD1-OG 2.59Å; D955-S957 PolarHBondContact OD2-OG 2.92Å; D955-R958 PolarHBondContact O-N 3.08Å; D955-R958 PolarHBondContact OD1-N 3.31Å; D955-I959 WeakPolarHBondContact O-CG1 3.45Å; D955-I959 PolarHBondContact O-N 3.48Å; D955-I959 VanDerWaalsContact O-N 3.15Å
956	A	96.3	Very high	96.2	Very high	28 Å²	28	39.1 Å²	39.1	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-30.3	179.3	0	0	0	0	0	112.9	F905 I910 I959 K960	F905-A956 HydrophobicContact CB-CB 4.32Å; I910-A956 HydrophobicContact CD1-CB 4.43Å; I910-A956 HydrophobicContact CG1-CB 4.28Å; A956-I959 PolarHBondContact O-N 3.38Å; A956-K960 PolarHBondContact O-N 3.33Å
957	S	95.2	Very high	95.9	Very high	78 Å²	78	38.6 Å²	38.6	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-69.1	-42.5	179.4	84.2	0	0	0	0	111.8	D955 K960 N961	D955-S957 PolarHBondContact O-N 3.25Å; D955-S957 WeakPolarHBondContact OD1-CA 3.39Å; D955-S957 WeakPolarHBondContact OD1-CB 3.5Å; D955-S957 PolarHBondContact OD1-N 3.34Å; D955-S957 PolarHBondContact OD1-OG 2.59Å; D955-S957 PolarHBondContact OD2-OG 2.92Å; S957-K960 PolarHBondContact O-N 3.48Å; S957-N961 WeakPolarHBondContact O-CB 3.23Å; S957-N961 PolarHBondContact O-N 3.27Å
958	R	95.6	Very high	95.5	Very high	70 Å²	70	45 Å²	45	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-42.9	174.5	-73.8	-176.4	173.2	-129.4	-4.6	110.9	E837 D955 N961 V962	E837-R958 IonicContact OE1-CZ 2.64Å; E837-R958 IonicContact OE1-NH1 3.58Å; E837-R958 PolarHBondContact OE1-NH1 3.12Å; E837-R958 IonicContact OE1-NH2 3.14Å; E837-R958 PolarHBondContact OE1-NH2 2.95Å; D955-R958 PolarHBondContact O-N 3.08Å; D955-R958 PolarHBondContact OD1-N 3.31Å; R958-N961 WeakPolarHBondContact O-CB 3.33Å; R958-N961 PolarHBondContact O-N 2.97Å; R958-V962 WeakPolarHBondContact O-CG2 3.45Å; R958-V962 PolarHBondContact O-N 3.17Å
959	I	97.2	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-49	175.8	-63.6	-51.9	0	0	0	111.6	S841 V844 L845 L848 F905 I910 V954 D955 A956 N961 V962 A963	S841-I959 WeakPolarHBondContact O-CD1 3.05Å; V844-I959 HydrophobicContact CB-CD1 3.92Å; V844-I959 HydrophobicContact CG1-CD1 3.74Å; V844-I959 HydrophobicContact CG1-CG1 4.35Å; L845-I959 HydrophobicContact CB-CD1 4.26Å; L845-I959 HydrophobicContact CD1-CG2 3.97Å; L848-I959 HydrophobicContact CD1-CD1 4.31Å; L848-I959 HydrophobicContact CD1-CG1 4.03Å; L848-I959 HydrophobicContact CD1-CG2 3.78Å; F905-I959 HydrophobicContact CD2-CG2 3.8Å; F905-I959 HydrophobicContact CE2-CG2 3.57Å; F905-I959 HydrophobicContact CZ-CG2 4.28Å; I910-I959 HydrophobicContact CD1-CG1 3.87Å; V954-I959 HydrophobicContact CG1-CD1 3.57Å; V954-I959 HydrophobicContact CG1-CG1 3.94Å; D955-I959 WeakPolarHBondContact O-CG1 3.45Å; D955-I959 PolarHBondContact O-N 3.48Å; D955-I959 VanDerWaalsContact O-N 3.15Å; A956-I959 PolarHBondContact O-N 3.38Å; I959-N961 VanDerWaalsContact C-N 3.29Å; I959-N961 PolarHBondContact O-N 3.36Å; I959-V962 VanDerWaalsContact O-CG2 3.28Å; I959-V962 WeakPolarHBondContact O-CG2 3.11Å; I959-V962 PolarHBondContact O-N 3Å; I959-A963 WeakPolarHBondContact O-CB 3.26Å; I959-A963 PolarHBondContact O-N 2.84Å
960	K	95	Very high	94.4	Very high	97 Å²	97	45 Å²	45	42%	0.422	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-39	178	-170.6	170.9	-175.6	170.3	0	111.9	A956 S957 G964	A956-K960 PolarHBondContact O-N 3.33Å; S957-K960 PolarHBondContact O-N 3.48Å; K960-G964 PolarHBondContact O-N 2.9Å
961	N	94.6	Very high	93.7	Very high	86 Å²	86	47.4 Å²	47.4	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-52.3	176.4	-174	-57.1	0	0	0	111.7	S957 R958 I959 A963 G964 K965	S957-N961 WeakPolarHBondContact O-CB 3.23Å; S957-N961 PolarHBondContact O-N 3.27Å; R958-N961 WeakPolarHBondContact O-CB 3.33Å; R958-N961 PolarHBondContact O-N 2.97Å; I959-N961 VanDerWaalsContact C-N 3.29Å; I959-N961 PolarHBondContact O-N 3.36Å; N961-A963 PolarHBondContact O-N 2.6Å; N961-G964 PolarHBondContact O-N 3.01Å; N961-K965 WeakPolarHBondContact O-CG 3.42Å; N961-K965 PolarHBondContact O-N 3.07Å; N961-K965 WeakPolarHBondContact OD1-CD 3.34Å; N961-K965 WeakPolarHBondContact OD1-CE 3.18Å; N961-K965 PolarHBondContact OD1-NZ 3.39Å
962	V	95.8	Very high	92.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-38.9	-179.5	-63.1	0	0	0	0	112.1	Y842 L845 R958 I959 G964 K965 I966	Y842-V962 HydrophobicContact CD2-CB 4.32Å; Y842-V962 HydrophobicContact CD2-CG1 4.23Å; Y842-V962 HydrophobicContact CE2-CB 3.98Å; Y842-V962 HydrophobicContact CE2-CG1 3.96Å; L845-V962 HydrophobicContact CB-CG2 4.47Å; L845-V962 HydrophobicContact CD2-CG2 4.03Å; R958-V962 WeakPolarHBondContact O-CG2 3.45Å; R958-V962 PolarHBondContact O-N 3.17Å; I959-V962 VanDerWaalsContact O-CG2 3.28Å; I959-V962 WeakPolarHBondContact O-CG2 3.11Å; I959-V962 PolarHBondContact O-N 3Å; V962-G964 PolarHBondContact O-N 3.01Å; V962-K965 PolarHBondContact O-N 2.96Å; V962-I966 VanDerWaalsContact O-CG1 3.26Å; V962-I966 WeakPolarHBondContact O-CG1 3.12Å; V962-I966 PolarHBondContact O-N 3.28Å
963	A	96.4	Very high	90.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-42.8	174	0	0	0	0	0	111.5	L845 A900 I959 N961 I966 V967	L845-A963 HydrophobicContact CD1-CB 4.39Å; L845-A963 HydrophobicContact CD2-CB 4.49Å; A900-A963 HydrophobicContact CB-CB 4.09Å; I959-A963 WeakPolarHBondContact O-CB 3.26Å; I959-A963 PolarHBondContact O-N 2.84Å; N961-A963 PolarHBondContact O-N 2.6Å; A963-I966 PolarHBondContact O-N 3.45Å; A963-V967 WeakPolarHBondContact O-CG2 3.35Å; A963-V967 PolarHBondContact O-N 2.88Å
964	G	95.1	Very high	89	Confident	29 Å²	29	55.2 Å²	55.2	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-44.7	174.6	0	0	0	0	0	113.1	K960 N961 V962 I966 V967 Q968	K960-G964 PolarHBondContact O-N 2.9Å; N961-G964 PolarHBondContact O-N 3.01Å; V962-G964 PolarHBondContact O-N 3.01Å; G964-I966 VanDerWaalsContact C-N 3.31Å; G964-I966 PolarHBondContact O-N 2.93Å; G964-V967 PolarHBondContact O-N 2.95Å; G964-Q968 PolarHBondContact O-N 3.45Å
965	K	93	Very high	87	Confident	90 Å²	90	58.4 Å²	58.4	39%	0.391	33%	0.327	S	S	.	.	H	α-helix	trans	-57.3	-43.9	173.6	-75.1	172.1	172.7	164.4	0	111.3	D838 N961 V962 Q968 K969	D838-K965 IonicContact OD2-NZ 2.77Å; D838-K965 PolarHBondContact OD2-NZ 2.81Å; N961-K965 WeakPolarHBondContact O-CG 3.42Å; N961-K965 PolarHBondContact O-N 3.07Å; N961-K965 WeakPolarHBondContact OD1-CD 3.34Å; N961-K965 WeakPolarHBondContact OD1-CE 3.18Å; N961-K965 PolarHBondContact OD1-NZ 3.39Å; V962-K965 PolarHBondContact O-N 2.96Å; K965-Q968 PolarHBondContact O-N 2.86Å; K965-K969 WeakPolarHBondContact O-CB 3.33Å; K965-K969 PolarHBondContact O-N 3.28Å
966	I	93.9	Very high	85	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-45.6	177.8	-62.4	162.1	0	0	0	110.7	I829 Y842 L845 L876 I897 V962 A963 G964 Q968 K969 L970	I829-I966 HydrophobicContact CD1-CG2 3.93Å; I829-I966 HydrophobicContact CG2-CG2 4.24Å; Y842-I966 HydrophobicContact CD1-CD1 4.44Å; Y842-I966 HydrophobicContact CE1-CD1 3.77Å; Y842-I966 HydrophobicContact CE1-CG1 4.12Å; L845-I966 HydrophobicContact CD2-CD1 3.68Å; L876-I966 HydrophobicContact CD2-CD1 3.89Å; I897-I966 HydrophobicContact CD1-CG2 4.05Å; I897-I966 HydrophobicContact CG2-CB 4.02Å; I897-I966 HydrophobicContact CG2-CG2 3.63Å; V962-I966 VanDerWaalsContact O-CG1 3.26Å; V962-I966 WeakPolarHBondContact O-CG1 3.12Å; V962-I966 PolarHBondContact O-N 3.28Å; A963-I966 PolarHBondContact O-N 3.45Å; G964-I966 VanDerWaalsContact C-N 3.31Å; G964-I966 PolarHBondContact O-N 2.93Å; I966-Q968 VanDerWaalsContact C-N 3.33Å; I966-Q968 PolarHBondContact O-N 2.88Å; I966-K969 WeakPolarHBondContact O-CB 3.36Å; I966-K969 PolarHBondContact O-N 2.91Å; I966-L970 HydrophobicContact CG2-CD1 4.12Å; I966-L970 HydrophobicContact CG2-CG 4.27Å; I966-L970 WeakPolarHBondContact O-CG 3.28Å; I966-L970 PolarHBondContact O-N 2.87Å
967	V	92.4	Very high	83.4	Confident	40 Å²	40	62.2 Å²	62.2	24%	0.242	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-46.1	176.6	172.1	0	0	0	0	111.5	I897 K898 A963 G964 K969 L970 S971	I897-V967 HydrophobicContact CG2-CG2 3.74Å; K898-V967 HydrophobicContact CG-CG2 4.46Å; A963-V967 WeakPolarHBondContact O-CG2 3.35Å; A963-V967 PolarHBondContact O-N 2.88Å; G964-V967 PolarHBondContact O-N 2.95Å; V967-K969 VanDerWaalsContact C-N 3.31Å; V967-K969 PolarHBondContact O-N 2.91Å; V967-L970 PolarHBondContact O-N 3.09Å; V967-S971 PolarHBondContact O-N 3.17Å
968	Q	89	Confident	82.4	Confident	137 Å²	137	59.3 Å²	59.3	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-58.8	-46	177.4	-176.3	177.2	-0.3	0	0	110.8	G964 K965 I966 L970 S971 D972	G964-Q968 PolarHBondContact O-N 3.45Å; K965-Q968 PolarHBondContact O-N 2.86Å; I966-Q968 VanDerWaalsContact C-N 3.33Å; I966-Q968 PolarHBondContact O-N 2.88Å; Q968-L970 VanDerWaalsContact C-N 3.34Å; Q968-L970 PolarHBondContact O-N 2.7Å; Q968-S971 PolarHBondContact O-N 3.22Å; Q968-S971 VanDerWaalsContact O-N 3.11Å; Q968-S971 PolarHBondContact O-OG 3.3Å; Q968-D972 PolarHBondContact O-N 3.02Å; Q968-D972 VanDerWaalsContact O-N 3.11Å
969	K	85.4	Confident	82.1	Confident	46 Å²	46	57.1 Å²	57.1	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-39.4	177.7	-166.5	173	-168.4	-177.4	0	113.3	E830 K965 I966 V967 S971 N978	E830-K969 IonicContact OE1-NZ 3.03Å; E830-K969 IonicContact OE2-NZ 2.72Å; E830-K969 PolarHBondContact OE2-NZ 3.03Å; K965-K969 WeakPolarHBondContact O-CB 3.33Å; K965-K969 PolarHBondContact O-N 3.28Å; I966-K969 WeakPolarHBondContact O-CB 3.36Å; I966-K969 PolarHBondContact O-N 2.91Å; V967-K969 VanDerWaalsContact C-N 3.31Å; V967-K969 PolarHBondContact O-N 2.91Å; K969-S971 VanDerWaalsContact C-N 3.31Å; K969-N978 HydrophobicContact CD-CB 4.31Å; K969-N978 WeakPolarHBondContact CE-ND2 3.41Å; K969-N978 HydrophobicContact CG-CB 4.47Å
970	L	85.4	Confident	81.8	Confident	42 Å²	42	57.1 Å²	57.1	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-71.5	-25	175.8	-67	-180	0	0	0	113.2	I829 I897 I966 V967 Q968 V979	I829-L970 HydrophobicContact CD1-CD1 4.1Å; I829-L970 HydrophobicContact CD1-CD2 4.1Å; I829-L970 HydrophobicContact CD1-CG 4.49Å; I829-L970 HydrophobicContact CG1-CD2 4.42Å; I897-L970 HydrophobicContact CD1-CD1 3.71Å; I897-L970 HydrophobicContact CG2-CD1 4.45Å; I966-L970 HydrophobicContact CG2-CD1 4.12Å; I966-L970 HydrophobicContact CG2-CG 4.27Å; I966-L970 WeakPolarHBondContact O-CG 3.28Å; I966-L970 PolarHBondContact O-N 2.87Å; V967-L970 PolarHBondContact O-N 3.09Å; Q968-L970 VanDerWaalsContact C-N 3.34Å; Q968-L970 PolarHBondContact O-N 2.7Å; L970-V979 HydrophobicContact CD2-CG1 4.39Å; L970-V979 HydrophobicContact CD2-CG2 3.32Å
971	S	83	Confident	81.8	Confident	80 Å²	80	53.9 Å²	53.9	56%	0.559	30%	0.296	S	S	*	.	H	α-helix	trans	-81.2	-25.9	177.5	70.7	0	0	0	0	113.3	V967 Q968 K969 T973	V967-S971 PolarHBondContact O-N 3.17Å; Q968-S971 PolarHBondContact O-N 3.22Å; Q968-S971 VanDerWaalsContact O-N 3.11Å; Q968-S971 PolarHBondContact O-OG 3.3Å; K969-S971 VanDerWaalsContact C-N 3.31Å; S971-T973 PolarHBondContact O-N 3.01Å
972	D	75.6	Confident	81.8	Confident	73 Å²	73	49.9 Å²	49.9	39%	0.39	27%	0.274	S	S	.	.			trans	-74.7	105.8	-179	-162.9	-20.9	0	0	0	111.1	Q968 S974 D975	Q968-D972 PolarHBondContact O-N 3.02Å; Q968-D972 VanDerWaalsContact O-N 3.11Å; D972-S974 VanDerWaalsContact CG-OG 3.29Å; D972-S974 PolarHBondContact O-N 3.37Å; D972-S974 WeakPolarHBondContact OD1-CB 3.44Å; D972-S974 PolarHBondContact OD1-N 2.87Å; D972-S974 PolarHBondContact OD1-OG 2.94Å; D972-S974 PolarHBondContact OD2-OG 3.26Å; D972-D975 HydrophobicContact CB-CB 4.23Å; D972-D975 PolarHBondContact O-N 2.91Å
973	T	60.3	Low	81.8	Confident	91 Å²	91	49.8 Å²	49.8	56%	0.558	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.8	175.3	50.5	0	0	0	0	113.2	S971 F976	S971-T973 PolarHBondContact O-N 3.01Å; T973-F976 HydrophobicContact CG2-CE2 4.41Å; T973-F976 WeakPolarHBondContact O-CD2 3.46Å
974	S	56.7	Low	81.8	Confident	96 Å²	96	49.8 Å²	49.8	67%	0.671	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-21.5	172.6	70.9	0	0	0	0	112.3	D972	D972-S974 VanDerWaalsContact CG-OG 3.29Å; D972-S974 PolarHBondContact O-N 3.37Å; D972-S974 WeakPolarHBondContact OD1-CB 3.44Å; D972-S974 PolarHBondContact OD1-N 2.87Å; D972-S974 PolarHBondContact OD1-OG 2.94Å; D972-S974 PolarHBondContact OD2-OG 3.26Å
975	D	54	Low	81.7	Confident	70 Å²	70	48.4 Å²	48.4	37%	0.374	26%	0.26	S	S	.	.			trans	-107.4	38.3	-169	-144.1	8.6	0	0	0	112.3	D972 H977 N978	D972-D975 HydrophobicContact CB-CB 4.23Å; D972-D975 PolarHBondContact O-N 2.91Å; D975-H977 PolarHBondContact O-N 3.42Å; D975-N978 PolarHBondContact O-ND2 3.26Å; D975-N978 PolarHBondContact OD1-ND2 2.6Å; D975-N978 PolarHBondContact OD2-ND2 2.92Å
976	F	54.3	Low	81.5	Confident	57 Å²	57	44.8 Å²	44.8	25%	0.25	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58	-17.1	-171.7	-112.6	-85.2	0	0	0	114.3	R812 T973 N978 S1001 K1002	R812-F976 PolarHBondContact NH1-O 3.2Å; T973-F976 HydrophobicContact CG2-CE2 4.41Å; T973-F976 WeakPolarHBondContact O-CD2 3.46Å; F976-N978 PolarHBondContact O-N 3.41Å; F976-N978 VanDerWaalsContact O-N 3.08Å; F976-S1001 WeakPolarHBondContact CE1-OG 2.99Å; F976-S1001 WeakPolarHBondContact CZ-OG 3.46Å; F976-K1002 HydrophobicContact CE1-CB 4.5Å; F976-K1002 HydrophobicContact CE1-CG 3.7Å; F976-K1002 HydrophobicContact CE2-CG 4.34Å; F976-K1002 HydrophobicContact CZ-CB 4.34Å; F976-K1002 HydrophobicContact CZ-CD 4.26Å; F976-K1002 HydrophobicContact CZ-CG 3.29Å
977	H	63	Low	80.8	Confident	122 Å²	122	47.4 Å²	47.4	57%	0.565	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-66.7	-4.2	-175.3	-68.7	-91.1	0	0	0	115.1	R812 D975	R812-H977 PolarHBondContact NH2-CE1 3.18Å; R812-H977 PolarHBondContact NH2-ND1 3.05Å; D975-H977 PolarHBondContact O-N 3.42Å
978	N	75.5	Confident	79.9	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.091	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-108.4	6.4	-161.8	-58.8	-34.9	0	0	0	115.7	L704 I829 E830 K969 D975 F976	L704-N978 WeakPolarHBondContact CD2-O 3.41Å; I829-N978 WeakPolarHBondContact CA-O 3.14Å; E830-N978 HydrophobicContact CB-CB 4.4Å; E830-N978 PolarHBondContact N-O 2.81Å; E830-N978 VanDerWaalsContact N-O 3.13Å; E830-N978 PolarHBondContact OE2-OD1 3.24Å; K969-N978 HydrophobicContact CD-CB 4.31Å; K969-N978 WeakPolarHBondContact CE-ND2 3.41Å; K969-N978 HydrophobicContact CG-CB 4.47Å; D975-N978 PolarHBondContact O-ND2 3.26Å; D975-N978 PolarHBondContact OD1-ND2 2.6Å; D975-N978 PolarHBondContact OD2-ND2 2.92Å; F976-N978 PolarHBondContact O-N 3.41Å; F976-N978 VanDerWaalsContact O-N 3.08Å
979	V	87.7	Confident	79.3	Confident	25 Å²	25	44 Å²	44	15%	0.152	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.6	-175.7	-169.5	0	0	0	0	111.7	R812 K827 A828 I829 L970	R812-V979 WeakPolarHBondContact CD-O 3.03Å; K827-V979 HydrophobicContact CG-CG1 4.31Å; A828-V979 VanDerWaalsContact O-CA 3.26Å; A828-V979 WeakPolarHBondContact O-CA 3.38Å; I829-V979 HydrophobicContact CG1-CG1 4.45Å; L970-V979 HydrophobicContact CD2-CG1 4.39Å; L970-V979 HydrophobicContact CD2-CG2 3.32Å
980	G	92	Very high	78.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.1	168	0	0	0	0	0	112.6	A700 R812 K827 A828	A700-G980 WeakPolarHBondContact O-CA 3.49Å; R812-G980 CarbonylContact O-C 3.4Å; R812-G980 WeakPolarHBondContact O-CA 3.42Å; K827-G980 CarbonylContact C-O 3.52Å; K827-G980 VanDerWaalsContact CA-O 3.31Å; K827-G980 WeakPolarHBondContact CA-O 3.36Å; A828-G980 PolarHBondContact N-O 3.42Å; A828-G980 PolarHBondContact O-N 3.26Å
981	H	93.9	Very high	77.3	Confident	29 Å²	29	48.7 Å²	48.7	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.5	178	-52.1	94.6	0	0	0	110.5	R812 N813 T814 A826 K827 W1005	R812-H981 PolarHBondContact O-N 2.9Å; N813-H981 VanDerWaalsContact CA-O 3.25Å; N813-H981 WeakPolarHBondContact CA-O 3.32Å; N813-H981 PolarHBondContact OD1-ND1 3.2Å; T814-H981 PolarHBondContact N-O 3.35Å; A826-H981 WeakPolarHBondContact O-CA 3.43Å; K827-H981 PolarHBondContact NZ-NE2 3.02Å; H981-W1005 HydrophobicContact CB-CH2 3.7Å; H981-W1005 HydrophobicContact CB-CZ2 3.98Å
982	V	95.9	Very high	76.7	Confident	1 Å²	1	45 Å²	45	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.4	176.9	177.3	0	0	0	0	110	A696 R699 A700 T814 F816 A825 A826 I984	A696-V982 HydrophobicContact CB-CB 4.33Å; A696-V982 HydrophobicContact CB-CG1 3.99Å; R699-V982 HydrophobicContact CB-CG1 4.47Å; R699-V982 HydrophobicContact CB-CG2 3.83Å; R699-V982 HydrophobicContact CG-CG1 4.45Å; R699-V982 HydrophobicContact CG-CG2 3.54Å; A700-V982 HydrophobicContact CB-CB 4.26Å; A700-V982 HydrophobicContact CB-CG2 3.81Å; T814-V982 VanDerWaalsContact O-CA 3.28Å; T814-V982 WeakPolarHBondContact O-CA 3.41Å; F816-V982 HydrophobicContact CD2-CG1 3.91Å; F816-V982 HydrophobicContact CE2-CG1 3.92Å; A825-V982 CarbonylContact C-O 3.55Å; A825-V982 WeakPolarHBondContact CA-O 3.4Å; A826-V982 PolarHBondContact N-O 3.13Å; A826-V982 PolarHBondContact O-N 2.9Å; V982-I984 HydrophobicContact CG1-CG1 4.11Å
983	V	96	Very high	75.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.3	167.6	177.8	0	0	0	0	108.4	T814 F815 F816 H823 Y824 A825 P886 L890 W992 W1005	T814-V983 PolarHBondContact O-N 3.25Å; F815-V983 CarbonylContact C-O 3.55Å; F815-V983 VanDerWaalsContact CA-O 3.26Å; F815-V983 WeakPolarHBondContact CA-O 3.48Å; F815-V983 HydrophobicContact CD2-CB 3.94Å; F815-V983 HydrophobicContact CD2-CG1 3.84Å; F815-V983 WeakPolarHBondContact CD2-O 3.47Å; F815-V983 HydrophobicContact CE2-CG1 4.04Å; F816-V983 PolarHBondContact N-O 3.34Å; H823-V983 HydrophobicContact CB-CG1 4.36Å; Y824-V983 WeakPolarHBondContact O-CA 3.34Å; A825-V983 HydrophobicContact CB-CG2 4.09Å; P886-V983 HydrophobicContact CB-CG1 3.87Å; P886-V983 HydrophobicContact CB-CG2 4.2Å; P886-V983 HydrophobicContact CG-CG1 4.25Å; L890-V983 HydrophobicContact CD1-CG2 4.06Å; V983-W992 HydrophobicContact CB-CH2 4.36Å; V983-W992 HydrophobicContact CB-CZ2 4.05Å; V983-W992 HydrophobicContact CG1-CZ2 3.98Å; V983-W992 HydrophobicContact CG2-CH2 3.67Å; V983-W992 HydrophobicContact CG2-CZ2 3.71Å; V983-W1005 HydrophobicContact CB-CZ3 4.29Å; V983-W1005 HydrophobicContact CG2-CH2 3.98Å; V983-W1005 HydrophobicContact CG2-CZ3 3.98Å
984	I	95.3	Very high	75.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.4	170.7	-53	-175.8	0	0	0	107.2	A692 F695 A696 M717 F816 M818 Y820 H823 Y824 V982	A692-I984 WeakPolarHBondContact O-CD1 3.34Å; F695-I984 HydrophobicContact CB-CD1 3.9Å; A696-I984 HydrophobicContact CB-CD1 4.02Å; A696-I984 HydrophobicContact CB-CG1 4.1Å; M717-I984 HydrophobicContact CG-CD1 4.4Å; M717-I984 HydrophobicContact SD-CD1 4.16Å; F816-I984 HydrophobicContact CB-CB 4.48Å; F816-I984 HydrophobicContact CB-CG1 4.16Å; F816-I984 HydrophobicContact CB-CG2 4.25Å; F816-I984 HydrophobicContact CD2-CG1 4.04Å; F816-I984 HydrophobicContact CG-CG1 4.47Å; M818-I984 HydrophobicContact CB-CG2 4.19Å; M818-I984 HydrophobicContact CG-CG2 3.53Å; Y820-I984 HydrophobicContact CD2-CG2 4.14Å; Y820-I984 HydrophobicContact CE2-CG2 3.69Å; H823-I984 CarbonylContact C-O 3.53Å; H823-I984 VanDerWaalsContact CA-O 3.27Å; H823-I984 WeakPolarHBondContact CA-O 2.99Å; Y824-I984 HydrophobicContact CD2-CB 4.46Å; Y824-I984 PolarHBondContact N-O 3.2Å; Y824-I984 PolarHBondContact O-N 3.39Å; V982-I984 HydrophobicContact CG1-CG1 4.11Å
985	G	93.5	Very high	75.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-168.6	-177.3	0	0	0	0	0	114.8	F816 M818 D987	F816-G985 PolarHBondContact O-N 3.32Å; F816-G985 VanDerWaalsContact O-N 3.1Å; M818-G985 PolarHBondContact N-O 3.4Å; G985-D987 PolarHBondContact O-N 2.68Å
986	P	88.6	Confident	74.6	Confident	14 Å²	14	51.1 Å²	51.1	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	133.5	-177.8	16.6	-30.5	0	0	0	113.1	F815 Y820 V822 H823 S988 S989	F815-P986 WeakPolarHBondContact CZ-O 3.48Å; Y820-P986 WeakPolarHBondContact O-CA 3.36Å; Y820-P986 WeakPolarHBondContact O-CB 3.33Å; V822-P986 WeakPolarHBondContact O-CD 3.3Å; H823-P986 WeakPolarHBondContact NE2-CD 3.33Å; H823-P986 WeakPolarHBondContact NE2-CG 3.47Å; P986-S988 PolarHBondContact O-N 2.99Å; P986-S988 VanDerWaalsContact O-N 3.14Å; P986-S989 WeakPolarHBondContact O-CB 3.26Å; P986-S989 PolarHBondContact O-N 3.08Å
987	D	80	Confident	74.2	Confident	55 Å²	55	53.4 Å²	53.4	29%	0.294	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26	170.1	-175.7	42.5	0	0	0	113	R479 A817 G985 S989 R1007	R479-D987 IonicContact NH1-OD2 3.5Å; R479-D987 PolarHBondContact NH1-OD2 2.94Å; A817-D987 HydrophobicContact CB-CB 3.93Å; A817-D987 WeakPolarHBondContact CB-OD1 3.43Å; G985-D987 PolarHBondContact O-N 2.68Å; D987-S989 PolarHBondContact O-N 2.95Å; D987-S989 VanDerWaalsContact O-N 3.14Å; D987-R1007 PolarHBondContact O-NH2 3.39Å; D987-R1007 IonicContact OD1-CZ 3.44Å; D987-R1007 IonicContact OD1-NH2 2.91Å; D987-R1007 PolarHBondContact OD1-NH2 2.84Å
988	S	73.9	Confident	73.1	Confident	97 Å²	97	49.7 Å²	49.7	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-8	176.1	61.4	0	0	0	0	114.5	P986 P990	P986-S988 PolarHBondContact O-N 2.99Å; P986-S988 VanDerWaalsContact O-N 3.14Å; S988-P990 WeakPolarHBondContact O-CD 3.44Å; S988-P990 VanDerWaalsContact O-N 3.16Å
989	S	75.7	Confident	71.4	Confident	9 Å²	9	58.9 Å²	58.9	6%	0.063	34%	0.341	C	S	.	.			trans	-66	110.4	179.6	-166	0	0	0	0	110.3	P986 D987 D991 W992 R1007	P986-S989 WeakPolarHBondContact O-CB 3.26Å; P986-S989 PolarHBondContact O-N 3.08Å; D987-S989 PolarHBondContact O-N 2.95Å; D987-S989 VanDerWaalsContact O-N 3.14Å; S989-D991 VanDerWaalsContact C-N 3.3Å; S989-D991 PolarHBondContact O-N 3.02Å; S989-W992 PolarHBondContact OG-NE1 3.4Å; S989-W992 VanDerWaalsContact OG-NE1 3.16Å; S989-R1007 PolarHBondContact O-NH1 3.19Å; S989-R1007 VanDerWaalsContact O-NH1 3.1Å
990	P	59.9	Low	69.3	Low	89 Å²	89	62.9 Å²	62.9	58%	0.578	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-80	-14.2	-173.8	33.6	-34.4	0	0	0	112.7	S988 W992 I993	S988-P990 WeakPolarHBondContact O-CD 3.44Å; S988-P990 VanDerWaalsContact O-N 3.16Å; P990-W992 PolarHBondContact O-N 2.95Å; P990-I993 WeakPolarHBondContact O-CG1 3.34Å
991	D	68.8	Low	67.4	Low	97 Å²	97	66.3 Å²	66.3	52%	0.519	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13	-171.9	-61.2	-41	0	0	0	114.9	L887 S989	L887-D991 HydrophobicContact CD1-CB 3.8Å; L887-D991 HydrophobicContact CG-CB 4.49Å; S989-D991 VanDerWaalsContact C-N 3.3Å; S989-D991 PolarHBondContact O-N 3.02Å
992	W	71.1	Confident	65.4	Low	4 Å²	4	69.1 Å²	69.1	2%	0.015	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-116.7	43.3	-166.9	-45.7	105.8	0	0	0	112.8	F815 P886 L887 L890 V983 S989 P990 W1005 R1007	F815-W992 HydrophobicContact CB-CB 3.75Å; F815-W992 HydrophobicContact CB-CD2 4.23Å; F815-W992 HydrophobicContact CB-CG 3.86Å; F815-W992 HydrophobicContact CD1-CB 3.58Å; F815-W992 AromaticContact CD1-CD1 3.84Å; F815-W992 AromaticContact CD1-CG 3.85Å; F815-W992 HydrophobicContact CD1-CG 3.85Å; F815-W992 HydrophobicContact CD2-CB 4.34Å; F815-W992 AromaticContact CD2-CD1 3.47Å; F815-W992 VanDerWaalsContact CD2-CD1 3.47Å; F815-W992 HydrophobicContact CD2-CD2 4.16Å; F815-W992 AromaticContact CD2-CG 3.75Å; F815-W992 HydrophobicContact CD2-CG 3.75Å; F815-W992 AromaticContact CD2-NE1 3.73Å; F815-W992 HydrophobicContact CE1-CB 4.3Å; F815-W992 AromaticContact CE1-CD1 3.93Å; F815-W992 HydrophobicContact CE1-CG 4.38Å; F815-W992 AromaticContact CE2-CD1 3.57Å; F815-W992 HydrophobicContact CE2-CG 4.28Å; F815-W992 AromaticContact CE2-NE1 3.78Å; F815-W992 HydrophobicContact CG-CB 3.61Å; F815-W992 AromaticContact CG-CD1 3.62Å; F815-W992 HydrophobicContact CG-CD2 4.18Å; F815-W992 AromaticContact CG-CG 3.52Å; F815-W992 HydrophobicContact CG-CG 3.52Å; F815-W992 AromaticContact CZ-CD1 3.81Å; P886-W992 HydrophobicContact CB-CZ2 4.32Å; P886-W992 HydrophobicContact CG-CZ2 4.15Å; L887-W992 HydrophobicContact CD2-CH2 3.24Å; L887-W992 HydrophobicContact CD2-CZ2 3.74Å; L887-W992 HydrophobicContact CD2-CZ3 3.7Å; L887-W992 HydrophobicContact CG-CH2 4Å; L887-W992 HydrophobicContact CG-CZ2 4Å; L890-W992 HydrophobicContact CD1-CH2 3.77Å; L890-W992 HydrophobicContact CD1-CZ3 4.39Å; V983-W992 HydrophobicContact CB-CH2 4.36Å; V983-W992 HydrophobicContact CB-CZ2 4.05Å; V983-W992 HydrophobicContact CG1-CZ2 3.98Å; V983-W992 HydrophobicContact CG2-CH2 3.67Å; V983-W992 HydrophobicContact CG2-CZ2 3.71Å; S989-W992 PolarHBondContact OG-NE1 3.4Å; S989-W992 VanDerWaalsContact OG-NE1 3.16Å; P990-W992 PolarHBondContact O-N 2.95Å; W992-W1005 HydrophobicContact CD2-CE3 4.49Å; W992-W1005 AromaticContact CE3-CD2 3.49Å; W992-W1005 HydrophobicContact CE3-CD2 3.49Å; W992-W1005 VanDerWaalsContact CE3-CD2 3.49Å; W992-W1005 AromaticContact CE3-CE2 3.85Å; W992-W1005 AromaticContact CE3-CE3 3.55Å; W992-W1005 HydrophobicContact CE3-CE3 3.55Å; W992-W1005 AromaticContact CE3-CG 3.94Å; W992-W1005 HydrophobicContact CE3-CG 3.94Å; W992-W1005 HydrophobicContact CE3-CH2 4.31Å; W992-W1005 HydrophobicContact CE3-CZ2 4.27Å; W992-W1005 AromaticContact CE3-CZ3 3.96Å; W992-W1005 HydrophobicContact CE3-CZ3 3.96Å; W992-W1005 AromaticContact CH2-CH2 3.88Å; W992-W1005 HydrophobicContact CH2-CH2 3.88Å; W992-W1005 HydrophobicContact CH2-CZ2 4.05Å; W992-W1005 HydrophobicContact CH2-CZ3 4.13Å; W992-W1005 AromaticContact CZ3-CD2 3.49Å; W992-W1005 HydrophobicContact CZ3-CD2 3.49Å; W992-W1005 VanDerWaalsContact CZ3-CD2 3.49Å; W992-W1005 AromaticContact CZ3-CE2 3.35Å; W992-W1005 AromaticContact CZ3-CE3 3.6Å; W992-W1005 HydrophobicContact CZ3-CE3 3.6Å; W992-W1005 HydrophobicContact CZ3-CG 4.26Å; W992-W1005 AromaticContact CZ3-CH2 3.5Å; W992-W1005 HydrophobicContact CZ3-CH2 3.5Å; W992-W1005 VanDerWaalsContact CZ3-CH2 3.5Å; W992-W1005 AromaticContact CZ3-CZ2 3.39Å; W992-W1005 HydrophobicContact CZ3-CZ2 3.39Å; W992-W1005 AromaticContact CZ3-CZ3 3.6Å; W992-W1005 HydrophobicContact CZ3-CZ3 3.6Å; W992-W1005 AromaticContact CZ3-NE1 3.95Å; W992-R1007 WeakPolarHBondContact O-CD 3.33Å
993	I	56.8	Low	63.7	Low	129 Å²	129	74.4 Å²	74.4	66%	0.662	43%	0.425	S	S	*	.			trans	-72	136	173.8	-60.8	168.4	0	0	0	108.5	P990 D995	P990-I993 WeakPolarHBondContact O-CG1 3.34Å; I993-D995 PolarHBondContact O-N 3.11Å
994	Q	54	Low	62.7	Low	112 Å²	112	77.7 Å²	77.7	52%	0.523	45%	0.445	S	S	.	.			trans	-58	102.5	169.3	-84.5	-179.5	-12.4	0	0	109	T996 R1007	Q994-T996 PolarHBondContact O-N 3.36Å; Q994-T996 VanDerWaalsContact O-N 3.13Å; Q994-R1007 HydrophobicContact CG-CB 4.49Å
995	D	47.7	Very low	62.2	Low	81 Å²	81	79.2 Å²	79.2	43%	0.433	45%	0.451	S	S	.	.			trans	-77.7	98.1	170.6	-167.9	-3.6	0	0	0	108.7	I993 S997	I993-D995 PolarHBondContact O-N 3.11Å; D995-S997 PolarHBondContact O-N 2.68Å; D995-S997 PolarHBondContact OD1-N 3.11Å; D995-S997 PolarHBondContact OD1-OG 3.01Å
996	T	43.8	Very low	61.9	Low	135 Å²	135	82.5 Å²	82.5	83%	0.828	47%	0.466	S	S	*	.			trans	-80.9	7	175.7	55.8	0	0	0	0	112.9	Q994	Q994-T996 PolarHBondContact O-N 3.36Å; Q994-T996 VanDerWaalsContact O-N 3.13Å
997	S	45.4	Very low	61.9	Low	106 Å²	106	84.6 Å²	84.6	74%	0.741	47%	0.472	S	S	*	.	S	Bend	trans	-118.6	-3	-166	71.8	0	0	0	0	117.3	D995	D995-S997 PolarHBondContact O-N 2.68Å; D995-S997 PolarHBondContact OD1-N 3.11Å; D995-S997 PolarHBondContact OD1-OG 3.01Å
998	G	39.5	Very low	62.3	Low	44 Å²	44	83.2 Å²	83.2	45%	0.454	47%	0.465	S	S	.	.			trans	-107.1	136.2	-174.5	0	0	0	0	0	116	D1000	G998-D1000 PolarHBondContact O-N 3.44Å
999	Q	39.4	Very low	62.5	Low	210 Å²	210	81.5 Å²	81.5	98%	0.981	45%	0.451	S	S	*	.	S	Bend	trans	-75.4	-1.6	173	-81.3	-176.8	-21.8	0	0	114.6
1000	D	44.7	Very low	62.4	Low	109 Å²	109	81.7 Å²	81.7	58%	0.583	45%	0.451	S	S	*	.			trans	-99.3	96	-179	-125.9	-21.4	0	0	0	110.4	G998 K1002 N1003	G998-D1000 PolarHBondContact O-N 3.44Å; D1000-K1002 PolarHBondContact O-N 2.98Å; D1000-N1003 PolarHBondContact O-N 3.44Å
1001	S	50.8	Low	62.4	Low	71 Å²	71	84.4 Å²	84.4	50%	0.497	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-60.8	-12.4	-175.8	57	0	0	0	0	114.6	F976 N1003	F976-S1001 WeakPolarHBondContact CE1-OG 2.99Å; F976-S1001 WeakPolarHBondContact CZ-OG 3.46Å; S1001-N1003 PolarHBondContact O-N 2.94Å
1002	K	52.7	Low	61.6	Low	88 Å²	88	85.2 Å²	85.2	38%	0.383	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.4	174.7	-67.8	-162.7	175.7	-179.7	0	113.3	N813 F976 D1000	N813-K1002 PolarHBondContact ND2-O 2.75Å; F976-K1002 HydrophobicContact CE1-CB 4.5Å; F976-K1002 HydrophobicContact CE1-CG 3.7Å; F976-K1002 HydrophobicContact CE2-CG 4.34Å; F976-K1002 HydrophobicContact CZ-CB 4.34Å; F976-K1002 HydrophobicContact CZ-CD 4.26Å; F976-K1002 HydrophobicContact CZ-CG 3.29Å; D1000-K1002 PolarHBondContact O-N 2.98Å
1003	N	59.6	Low	61.1	Low	113 Å²	113	89.3 Å²	89.3	60%	0.604	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-112.3	2.8	-168.2	-68	-17	0	0	0	114.5	D1000 S1001 W1005	D1000-N1003 PolarHBondContact O-N 3.44Å; S1001-N1003 PolarHBondContact O-N 2.94Å; N1003-W1005 PolarHBondContact O-N 3Å
1004	V	74.7	Confident	61.3	Low	68 Å²	68	87.2 Å²	87.2	41%	0.412	48%	0.48	S	S	.	.			trans	-77.8	112.4	176.2	-176.8	0	0	0	0	108.3	N813	N813-V1004 WeakPolarHBondContact CB-O 3.46Å; N813-V1004 PolarHBondContact ND2-O 2.66Å
1005	W	84.9	Confident	61.7	Low	33 Å²	33	85.8 Å²	85.8	13%	0.125	48%	0.477	C	S	.	.			trans	-100.1	128.3	172.7	-75.5	75.3	0	0	0	109.9	N813 T814 F815 L890 H981 V983 W992 N1003	N813-W1005 HydrophobicContact CB-CD2 3.82Å; N813-W1005 HydrophobicContact CB-CE3 4.18Å; N813-W1005 HydrophobicContact CB-CG 4.04Å; N813-W1005 HydrophobicContact CB-CZ2 4.44Å; T814-W1005 WeakPolarHBondContact O-CZ3 3.33Å; F815-W1005 HydrophobicContact CB-CE3 4.22Å; L890-W1005 HydrophobicContact CD1-CH2 3.64Å; L890-W1005 HydrophobicContact CD1-CZ2 3.74Å; H981-W1005 HydrophobicContact CB-CH2 3.7Å; H981-W1005 HydrophobicContact CB-CZ2 3.98Å; V983-W1005 HydrophobicContact CB-CZ3 4.29Å; V983-W1005 HydrophobicContact CG2-CH2 3.98Å; V983-W1005 HydrophobicContact CG2-CZ3 3.98Å; W992-W1005 HydrophobicContact CD2-CE3 4.49Å; W992-W1005 AromaticContact CE3-CD2 3.49Å; W992-W1005 HydrophobicContact CE3-CD2 3.49Å; W992-W1005 VanDerWaalsContact CE3-CD2 3.49Å; W992-W1005 AromaticContact CE3-CE2 3.85Å; W992-W1005 AromaticContact CE3-CE3 3.55Å; W992-W1005 HydrophobicContact CE3-CE3 3.55Å; W992-W1005 AromaticContact CE3-CG 3.94Å; W992-W1005 HydrophobicContact CE3-CG 3.94Å; W992-W1005 HydrophobicContact CE3-CH2 4.31Å; W992-W1005 HydrophobicContact CE3-CZ2 4.27Å; W992-W1005 AromaticContact CE3-CZ3 3.96Å; W992-W1005 HydrophobicContact CE3-CZ3 3.96Å; W992-W1005 AromaticContact CH2-CH2 3.88Å; W992-W1005 HydrophobicContact CH2-CH2 3.88Å; W992-W1005 HydrophobicContact CH2-CZ2 4.05Å; W992-W1005 HydrophobicContact CH2-CZ3 4.13Å; W992-W1005 AromaticContact CZ3-CD2 3.49Å; W992-W1005 HydrophobicContact CZ3-CD2 3.49Å; W992-W1005 VanDerWaalsContact CZ3-CD2 3.49Å; W992-W1005 AromaticContact CZ3-CE2 3.35Å; W992-W1005 AromaticContact CZ3-CE3 3.6Å; W992-W1005 HydrophobicContact CZ3-CE3 3.6Å; W992-W1005 HydrophobicContact CZ3-CG 4.26Å; W992-W1005 AromaticContact CZ3-CH2 3.5Å; W992-W1005 HydrophobicContact CZ3-CH2 3.5Å; W992-W1005 VanDerWaalsContact CZ3-CH2 3.5Å; W992-W1005 AromaticContact CZ3-CZ2 3.39Å; W992-W1005 HydrophobicContact CZ3-CZ2 3.39Å; W992-W1005 AromaticContact CZ3-CZ3 3.6Å; W992-W1005 HydrophobicContact CZ3-CZ3 3.6Å; W992-W1005 AromaticContact CZ3-NE1 3.95Å; N1003-W1005 PolarHBondContact O-N 3Å
1006	E	88.2	Confident	62.5	Low	68 Å²	68	86.1 Å²	86.1	32%	0.318	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.6	165.6	-178.3	-172.9	-150.6	0	0	108.3	R699 S811 N813 T814 F815 V1008	R699-E1006 IonicContact NH2-OE2 3.29Å; S811-E1006 WeakPolarHBondContact CB-OE2 3.46Å; S811-E1006 WeakPolarHBondContact OG-CB 3.13Å; N813-E1006 PolarHBondContact O-N 3.39Å; T814-E1006 CarbonylContact C-O 3.3Å; T814-E1006 WeakPolarHBondContact CA-O 3.05Å; T814-E1006 PolarHBondContact OG1-OE2 3.12Å; F815-E1006 PolarHBondContact N-O 3.37Å; E1006-V1008 HydrophobicContact CG-CG2 3.84Å
1007	R	88.4	Confident	63.7	Low	58 Å²	58	83.1 Å²	83.1	22%	0.219	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.1	168.1	178.3	167.3	-172.4	131.7	-2.9	109.3	F815 D987 S989 W992 Q994	F815-R1007 HydrophobicContact CD1-CG 4.04Å; D987-R1007 PolarHBondContact O-NH2 3.39Å; D987-R1007 IonicContact OD1-CZ 3.44Å; D987-R1007 IonicContact OD1-NH2 2.91Å; D987-R1007 PolarHBondContact OD1-NH2 2.84Å; S989-R1007 PolarHBondContact O-NH1 3.19Å; S989-R1007 VanDerWaalsContact O-NH1 3.1Å; W992-R1007 WeakPolarHBondContact O-CD 3.33Å; Q994-R1007 HydrophobicContact CG-CB 4.49Å
1008	V	87.8	Confident	64.9	Low	26 Å²	26	81.5 Å²	81.5	16%	0.158	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120	175.9	-179.8	0	0	0	0	108.4	T814 F815 F816 A817 E1006 M1010	T814-V1008 HydrophobicContact CG2-CB 4.33Å; T814-V1008 HydrophobicContact CG2-CG2 3.61Å; F815-V1008 PolarHBondContact O-N 3.09Å; F816-V1008 HydrophobicContact CD1-CB 3.79Å; F816-V1008 HydrophobicContact CD1-CG1 3.82Å; F816-V1008 HydrophobicContact CD1-CG2 4.5Å; F816-V1008 HydrophobicContact CE1-CB 3.94Å; F816-V1008 HydrophobicContact CE1-CG1 3.85Å; F816-V1008 HydrophobicContact CE1-CG2 4.21Å; A817-V1008 PolarHBondContact N-O 2.89Å; E1006-V1008 HydrophobicContact CG-CG2 3.84Å; V1008-M1010 HydrophobicContact CG1-SD 4Å
1009	T	79.2	Confident	66.8	Low	61 Å²	61	84.2 Å²	84.2	37%	0.374	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.9	166.5	-48.6	0	0	0	0	106.5	M1011	T1009-M1011 HydrophobicContact CG2-CB 4.42Å; T1009-M1011 HydrophobicContact CG2-CE 4.26Å; T1009-M1011 HydrophobicContact CG2-CG 3.85Å; T1009-M1011 HydrophobicContact CG2-SD 4.21Å; T1009-M1011 PolarHBondContact O-N 3.41Å
1010	M	73.1	Confident	68.9	Low	14 Å²	14	74.5 Å²	74.5	7%	0.069	40%	0.396	C	S	.	.			trans	-77.2	27.6	-176.4	-62.1	-70.7	-72.9	0	0	113.3	P284 M285 M717 A720 R721 F816 M818 V1008 V1012	P284-M1010 VanDerWaalsContact O-O 3.07Å; M285-M1010 HydrophobicContact CE-CE 3.56Å; M285-M1010 HydrophobicContact CG-CB 3.64Å; M285-M1010 HydrophobicContact CG-CG 4.31Å; M285-M1010 HydrophobicContact SD-CB 4.35Å; M285-M1010 HydrophobicContact SD-CE 4.18Å; M285-M1010 HydrophobicContact SD-CG 4.41Å; M717-M1010 HydrophobicContact CE-CE 3.9Å; M717-M1010 HydrophobicContact CE-CG 4.26Å; M717-M1010 HydrophobicContact CE-SD 3.97Å; A720-M1010 HydrophobicContact CB-CE 4.48Å; R721-M1010 HydrophobicContact CB-CE 4.07Å; F816-M1010 HydrophobicContact CD1-CG 4.49Å; F816-M1010 HydrophobicContact CD1-SD 4.02Å; F816-M1010 HydrophobicContact CE1-SD 4.27Å; M818-M1010 HydrophobicContact SD-CG 3.98Å; V1008-M1010 HydrophobicContact CG1-SD 4Å; M1010-V1012 PolarHBondContact O-N 2.6Å
1011	M	60.4	Low	70.9	Confident	145 Å²	145	71.7 Å²	71.7	71%	0.714	38%	0.381	S	S	*	.			trans	-67	126.8	174.4	-78.2	179.1	-175.4	0	0	109.4	T1009	T1009-M1011 HydrophobicContact CG2-CB 4.42Å; T1009-M1011 HydrophobicContact CG2-CE 4.26Å; T1009-M1011 HydrophobicContact CG2-CG 3.85Å; T1009-M1011 HydrophobicContact CG2-SD 4.21Å; T1009-M1011 PolarHBondContact O-N 3.41Å
1012	V	50.6	Low	72.7	Confident	115 Å²	115	71.7 Å²	71.7	70%	0.697	37%	0.37	S	S	*	.			trans	-65.5	0	174	-179.9	0	0	0	0	111.5	P287 Q724 M1010	P287-V1012 HydrophobicContact CB-CG2 4.39Å; Q724-V1012 HydrophobicContact CB-CG2 4.29Å; M1010-V1012 PolarHBondContact O-N 2.6Å

Retrieved 1,012 of 1,012 residues in 1316.8 ms (Link to these results)

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