A0A3Q0KNG7_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KNG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,022 aa.

						>A0A3Q0KNG7_SCHMA|A0A3Q0KNG7
MIMWIICCRKQETKKNKTKDNLQLSSKYSISYNDHRINDNQDNCKLKNDLNIHTKLSHDSYANIENGHYPKQERRSLPDVVIPSTNLPIPRSSLQIDYETGRRSTIYLETTVKLAESESINLDDNYSSNIFNETFLNNIKLNMANRDFLLDKPRAHSLISSTYQKQLTNNHKGRQGRKSDVSRSDNHEKKLISKKRLSLFKVKPLKRFRKSKDSLHSLSPQKCTIRNDKSNMISTMTCDRSTNSKTKSSLKRIKPSKLFSTNKSSHENIGITKDLNNHESCSERSEDSLGQLPMTRNSMFKHIQTRTTNLYQTTKNFDLNKQNYLNNIEHSMTNSKNTVLRRGSLCIFSQIDEPIVTPFAQILASLRKVRFNFILLTNVTSTRDSRFGAVQPIQSTEDGNSSSHLGCSGGQNKITASETLEELEWCLERLENIQTHRSVSDMASSKFKKMLNKELSQFADAGQSGKQISEYICSTFLDSKENDPLTTTSHSSVISHNNTHGIMSNSINKDIMINNHDNPSEMNTCTPSDSIKNSESTGMYLFKSVEPGEIIQTTTTTTTLTDNIDGDTTIGVTGDSSSSNIPHTINSTTVTIGSTTMNKSLSKLSSSLSTLSLKMNSNVNVNENTNNNNNNNDDNNINIMMKSSGNSHTTMSIPPSGTSPLSHQHHSECDKIHCSQTQIVPYIINSTNPKKLEDLLKTSLDLWGIDIFEVDQLTTNPLTCIFYNIVQKRNLLQKFAIPERNLLLYMTAVEEKYNNNPYHNRVHAADVVQSTHVLLNAQSLESVFTDLEIFTVLFACAIHDVGHPGVTNQYLINTNDQLAILYNDSSVLENHHLAIAFSLLGQPGHDVFENFPRKQRLSSRRMIIDMVLATDMSKHMSLLADLKTMVETKKVAGSGILTLENYIDRMQILQNMVHCADLSNPAKPLDLYRQWTNRVMEELFQQGDKERELGIEISPICDRNTATIEKSQVSFIDYIVHPLWETWSDLVYPDAQTILETLEDNREWYYNQINENNNDNNAENDE
					

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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	40.9	Very low	52.2	Low	104 Å²	104	82.1 Å²	82.1	51%	0.512	38%	0.383	S	S	.	.				0	-66.4	0	-159.6	178.6	-173.6	0	0	112.7	M3 W4 I5 L366 L430	M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.29Å; M1-W4 WeakPolarHBondContact O-CA 3.42Å; M1-W4 WeakPolarHBondContact O-CB 3.45Å; M1-W4 PolarHBondContact O-N 3.01Å; M1-I5 HydrophobicContact CE-CD1 4.45Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.14Å; M1-L366 HydrophobicContact CE-CD1 3.52Å; M1-L366 HydrophobicContact CE-CD2 3.77Å; M1-L366 HydrophobicContact CE-CG 4.31Å; M1-L366 HydrophobicContact SD-CD1 4.48Å; M1-L366 HydrophobicContact SD-CD2 4.06Å; M1-L430 HydrophobicContact CE-CD1 3.98Å
2	I	44.5	Very low	52.9	Low	72 Å²	72	80.8 Å²	80.8	37%	0.369	38%	0.378	S	S	.	.	H	α-helix	trans	-53.9	-45.8	-179.7	-65	171.4	0	0	0	112.2	W4 I5 I6	I2-W4 VanDerWaalsContact C-N 3.28Å; I2-W4 PolarHBondContact O-N 3.38Å; I2-I5 PolarHBondContact O-N 2.97Å; I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.41Å; I2-I6 WeakPolarHBondContact O-CG1 3.39Å; I2-I6 PolarHBondContact O-N 3.41Å
3	M	44.5	Very low	53.8	Low	108 Å²	108	80.8 Å²	80.8	53%	0.532	39%	0.386	S	S	.	.	H	α-helix	trans	-56.7	-38.4	173.3	-103	-164.5	75.5	0	0	113.8	M1 I6 C7 V891	M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.29Å; M3-I6 PolarHBondContact O-N 2.88Å; M3-C7 WeakPolarHBondContact O-CB 3.44Å; M3-C7 PolarHBondContact O-N 2.88Å; M3-V891 HydrophobicContact CE-CG2 3.89Å; M3-V891 HydrophobicContact SD-CG2 4.36Å
4	W	50.5	Low	54.1	Low	105 Å²	105	84.4 Å²	84.4	40%	0.398	40%	0.399	S	S	.	.	H	α-helix	trans	-71.2	-38.6	178.8	178.5	80	0	0	0	111.5	M1 I2 C7 C8 L430 I433	M1-W4 WeakPolarHBondContact O-CA 3.42Å; M1-W4 WeakPolarHBondContact O-CB 3.45Å; M1-W4 PolarHBondContact O-N 3.01Å; I2-W4 VanDerWaalsContact C-N 3.28Å; I2-W4 PolarHBondContact O-N 3.38Å; W4-C7 PolarHBondContact O-N 3.42Å; W4-C8 WeakPolarHBondContact O-CB 3.37Å; W4-C8 PolarHBondContact O-N 3.18Å; W4-C8 PolarHBondContact O-SG 3.47Å; W4-L430 HydrophobicContact CH2-CD2 3.64Å; W4-L430 HydrophobicContact CH2-CG 4.27Å; W4-L430 HydrophobicContact CZ3-CD2 3.73Å; W4-L430 HydrophobicContact CZ3-CG 4.19Å; W4-I433 HydrophobicContact CH2-CD1 3.51Å; W4-I433 HydrophobicContact CZ2-CD1 3.53Å
5	I	51	Low	54.4	Low	34 Å²	34	88.3 Å²	88.3	17%	0.174	41%	0.414	C	S	.	.	H	α-helix	trans	-62.1	-43.9	171.7	-63.3	164.9	0	0	0	110.4	M1 I2 C8 R9	M1-I5 HydrophobicContact CE-CD1 4.45Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.14Å; I2-I5 PolarHBondContact O-N 2.97Å; I5-C8 PolarHBondContact O-N 3.42Å; I5-R9 WeakPolarHBondContact O-CB 3.25Å; I5-R9 PolarHBondContact O-N 3.31Å
6	I	58.7	Low	54.6	Low	88 Å²	88	88.3 Å²	88.3	45%	0.451	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-41.9	174.9	-68	167.9	0	0	0	111.2	I2 M3 R9 K10	I2-I6 HydrophobicContact CG2-CD1 3.78Å; I2-I6 HydrophobicContact CG2-CG1 4.41Å; I2-I6 WeakPolarHBondContact O-CG1 3.39Å; I2-I6 PolarHBondContact O-N 3.41Å; M3-I6 PolarHBondContact O-N 2.88Å; I6-R9 PolarHBondContact O-N 3.21Å; I6-K10 HydrophobicContact CG2-CD 4.46Å; I6-K10 WeakPolarHBondContact O-CB 3.49Å; I6-K10 WeakPolarHBondContact O-CG 3.45Å; I6-K10 PolarHBondContact O-N 2.99Å
7	C	50.7	Low	54.7	Low	18 Å²	18	91.1 Å²	91.1	12%	0.122	43%	0.428	C	S	.	.	H	α-helix	trans	-63.7	-51.4	176	178.2	0	0	0	0	111.2	M3 W4 R9 K10 Q11 E887	M3-C7 WeakPolarHBondContact O-CB 3.44Å; M3-C7 PolarHBondContact O-N 2.88Å; W4-C7 PolarHBondContact O-N 3.42Å; C7-R9 VanDerWaalsContact C-N 3.26Å; C7-R9 PolarHBondContact O-N 3.37Å; C7-K10 CarbonylContact O-C 3.57Å; C7-K10 WeakPolarHBondContact O-CA 3.39Å; C7-K10 WeakPolarHBondContact O-CB 3.43Å; C7-K10 PolarHBondContact O-N 2.84Å; C7-Q11 PolarHBondContact O-N 2.92Å; C7-E887 PolarHBondContact SG-OE1 2.95Å; C7-E887 VanDerWaalsContact SG-OE1 3.39Å; C7-E887 PolarHBondContact SG-OE2 3.18Å
8	C	52.4	Low	54.3	Low	25 Å²	25	90.6 Å²	90.6	17%	0.169	43%	0.432	C	S	.	.	H	α-helix	trans	-53.9	-42.2	174.8	-73	0	0	0	0	111.9	W4 I5 Q11 E12	W4-C8 WeakPolarHBondContact O-CB 3.37Å; W4-C8 PolarHBondContact O-N 3.18Å; W4-C8 PolarHBondContact O-SG 3.47Å; I5-C8 PolarHBondContact O-N 3.42Å; C8-Q11 PolarHBondContact O-N 2.87Å; C8-E12 PolarHBondContact O-N 3.47Å
9	R	60.4	Low	54	Low	108 Å²	108	92.4 Å²	92.4	41%	0.408	44%	0.438	S	S	.	.	H	α-helix	trans	-69	-36.5	174.1	-77.6	-164.2	142.4	-173.6	-1.4	114	I5 I6 C7 Q11 T13 E422 W425	I5-R9 WeakPolarHBondContact O-CB 3.25Å; I5-R9 PolarHBondContact O-N 3.31Å; I6-R9 PolarHBondContact O-N 3.21Å; C7-R9 VanDerWaalsContact C-N 3.26Å; C7-R9 PolarHBondContact O-N 3.37Å; R9-Q11 VanDerWaalsContact C-N 3.33Å; R9-T13 WeakPolarHBondContact O-CB 3.15Å; R9-T13 WeakPolarHBondContact O-CG2 2.85Å; R9-T13 PolarHBondContact O-N 2.94Å; R9-T13 PolarHBondContact O-OG1 3.07Å; R9-E422 IonicContact CZ-OE1 3.65Å; R9-E422 IonicContact CZ-OE2 3.95Å; R9-E422 IonicContact NE-OE2 2.73Å; R9-E422 PolarHBondContact NE-OE2 3.34Å; R9-E422 IonicContact NH1-OE1 2.68Å; R9-E422 PolarHBondContact NH1-OE1 3.29Å; R9-E422 IonicContact NH1-OE2 3.24Å; R9-E422 PolarHBondContact NH1-OE2 2.85Å; R9-E422 IonicContact NH2-OE1 3.22Å; R9-E422 PolarHBondContact NH2-OE1 2.99Å; R9-E422 IonicContact NH2-OE2 3.69Å; R9-E422 PolarHBondContact NH2-OE2 3.43Å; R9-W425 HydrophobicContact CG-CH2 4.32Å; R9-W425 HydrophobicContact CG-CZ3 4.42Å
10	K	64.8	Low	53.6	Low	133 Å²	133	92 Å²	92	58%	0.578	44%	0.439	S	S	*	.	H	α-helix	trans	-63.8	-39.2	170.7	-79.6	-178.7	176.4	-178.7	0	111.4	I6 C7 T13 K14	I6-K10 HydrophobicContact CG2-CD 4.46Å; I6-K10 WeakPolarHBondContact O-CB 3.49Å; I6-K10 WeakPolarHBondContact O-CG 3.45Å; I6-K10 PolarHBondContact O-N 2.99Å; C7-K10 CarbonylContact O-C 3.57Å; C7-K10 WeakPolarHBondContact O-CA 3.39Å; C7-K10 WeakPolarHBondContact O-CB 3.43Å; C7-K10 PolarHBondContact O-N 2.84Å; K10-T13 WeakPolarHBondContact CA-OG1 3.4Å; K10-T13 PolarHBondContact O-OG1 3.47Å; K10-K14 WeakPolarHBondContact O-CB 3.45Å; K10-K14 WeakPolarHBondContact O-CG 3.39Å; K10-K14 PolarHBondContact O-N 3.16Å
11	Q	56	Low	53.1	Low	108 Å²	108	92.8 Å²	92.8	51%	0.505	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-43.9	175.3	-71.8	-165.6	8.8	0	0	112.3	C7 C8 R9 K14 K15	C7-Q11 PolarHBondContact O-N 2.92Å; C8-Q11 PolarHBondContact O-N 2.87Å; R9-Q11 VanDerWaalsContact C-N 3.33Å; Q11-K14 PolarHBondContact O-N 2.94Å; Q11-K15 VanDerWaalsContact O-CB 3.26Å; Q11-K15 WeakPolarHBondContact O-CB 3.49Å; Q11-K15 PolarHBondContact O-N 3.27Å
12	E	59.8	Low	53.2	Low	67 Å²	67	92 Å²	92	31%	0.313	44%	0.443	S	S	.	.	H	α-helix	trans	-66.3	-40.7	175.8	-78.2	-172.5	168.1	0	0	112.4	C8 K15 N16 W425	C8-E12 PolarHBondContact O-N 3.47Å; E12-K15 PolarHBondContact O-N 3.12Å; E12-N16 VanDerWaalsContact O-CB 3.32Å; E12-N16 WeakPolarHBondContact O-CB 3.45Å; E12-N16 VanDerWaalsContact O-CG 3.29Å; E12-N16 PolarHBondContact O-N 2.89Å; E12-W425 VanDerWaalsContact OE2-CZ2 3.28Å; E12-W425 WeakPolarHBondContact OE2-CZ2 3.29Å
13	T	64.9	Low	53.1	Low	80 Å²	80	94 Å²	94	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-69.2	-30.9	174.9	53	0	0	0	0	112.7	R9 K10 K17	R9-T13 WeakPolarHBondContact O-CB 3.15Å; R9-T13 WeakPolarHBondContact O-CG2 2.85Å; R9-T13 PolarHBondContact O-N 2.94Å; R9-T13 PolarHBondContact O-OG1 3.07Å; K10-T13 WeakPolarHBondContact CA-OG1 3.4Å; K10-T13 PolarHBondContact O-OG1 3.47Å; T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 VanDerWaalsContact O-CG 3.26Å; T13-K17 WeakPolarHBondContact O-CG 3.4Å; T13-K17 PolarHBondContact O-N 3.38Å
14	K	58.8	Low	52.9	Low	131 Å²	131	93 Å²	93	57%	0.57	45%	0.447	S	S	*	.	H	α-helix	trans	-63.9	-54.4	165	-83.9	-168.4	171.8	-163.2	0	110.4	K10 Q11 N16 K17 T18	K10-K14 WeakPolarHBondContact O-CB 3.45Å; K10-K14 WeakPolarHBondContact O-CG 3.39Å; K10-K14 PolarHBondContact O-N 3.16Å; Q11-K14 PolarHBondContact O-N 2.94Å; K14-N16 VanDerWaalsContact C-N 3.34Å; K14-N16 PolarHBondContact O-N 3.24Å; K14-K17 CarbonylContact O-C 3.55Å; K14-K17 WeakPolarHBondContact O-CA 3.34Å; K14-K17 WeakPolarHBondContact O-CB 3.43Å; K14-K17 PolarHBondContact O-N 3.11Å; K14-T18 PolarHBondContact O-N 3.3Å; K14-T18 PolarHBondContact O-OG1 2.88Å
15	K	57.4	Low	52.2	Low	144 Å²	144	91 Å²	91	63%	0.626	45%	0.449	S	S	*	.	H	α-helix	trans	-62.3	-35.7	-175.2	-165.8	169.4	-170.8	168.5	0	113.4	Q11 E12 T18 K19	Q11-K15 VanDerWaalsContact O-CB 3.26Å; Q11-K15 WeakPolarHBondContact O-CB 3.49Å; Q11-K15 PolarHBondContact O-N 3.27Å; E12-K15 PolarHBondContact O-N 3.12Å; K15-T18 PolarHBondContact O-N 3.08Å; K15-K19 PolarHBondContact O-N 3.44Å
16	N	58.7	Low	51.4	Low	88 Å²	88	92.2 Å²	92.2	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-69.9	-43.3	172.1	-70.6	-10.7	0	0	0	110.8	E12 K14 T18 K19 D20	E12-N16 VanDerWaalsContact O-CB 3.32Å; E12-N16 WeakPolarHBondContact O-CB 3.45Å; E12-N16 VanDerWaalsContact O-CG 3.29Å; E12-N16 PolarHBondContact O-N 2.89Å; K14-N16 VanDerWaalsContact C-N 3.34Å; K14-N16 PolarHBondContact O-N 3.24Å; N16-T18 VanDerWaalsContact C-N 3.3Å; N16-T18 PolarHBondContact O-N 2.77Å; N16-K19 CarbonylContact O-C 3.44Å; N16-K19 PolarHBondContact O-N 2.97Å; N16-K19 VanDerWaalsContact O-N 3.16Å; N16-D20 WeakPolarHBondContact O-CB 3.32Å; N16-D20 PolarHBondContact O-N 3.36Å
17	K	55.8	Low	50.5	Low	136 Å²	136	94.8 Å²	94.8	59%	0.591	47%	0.469	S	S	*	.	H	α-helix	trans	-60.6	-35.9	170.8	-76.8	174.3	179.4	177.8	0	113.2	T13 K14 D20 N21	T13-K17 WeakPolarHBondContact O-CB 3.47Å; T13-K17 VanDerWaalsContact O-CG 3.26Å; T13-K17 WeakPolarHBondContact O-CG 3.4Å; T13-K17 PolarHBondContact O-N 3.38Å; K14-K17 CarbonylContact O-C 3.55Å; K14-K17 WeakPolarHBondContact O-CA 3.34Å; K14-K17 WeakPolarHBondContact O-CB 3.43Å; K14-K17 PolarHBondContact O-N 3.11Å; K17-D20 PolarHBondContact O-N 3.31Å; K17-N21 WeakPolarHBondContact O-CB 3.46Å; K17-N21 PolarHBondContact O-N 3.45Å
18	T	47.2	Very low	49.7	Very low	81 Å²	81	101.3 Å²	101.3	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-43.2	174.3	-41.6	0	0	0	0	110.6	K14 K15 N16 N21 L22	K14-T18 PolarHBondContact O-N 3.3Å; K14-T18 PolarHBondContact O-OG1 2.88Å; K15-T18 PolarHBondContact O-N 3.08Å; N16-T18 VanDerWaalsContact C-N 3.3Å; N16-T18 PolarHBondContact O-N 2.77Å; T18-N21 PolarHBondContact O-N 2.76Å; T18-L22 HydrophobicContact CG2-CD1 4.18Å; T18-L22 WeakPolarHBondContact O-CB 3.23Å; T18-L22 WeakPolarHBondContact O-CD1 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.23Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 3.1Å
19	K	48.2	Very low	48.8	Very low	125 Å²	125	104.5 Å²	104.5	54%	0.543	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-42	172.9	-82.1	-174.3	170.4	-173.1	0	113	K15 N16 L22 Q23	K15-K19 PolarHBondContact O-N 3.44Å; N16-K19 CarbonylContact O-C 3.44Å; N16-K19 PolarHBondContact O-N 2.97Å; N16-K19 VanDerWaalsContact O-N 3.16Å; K19-L22 PolarHBondContact O-N 2.77Å; K19-Q23 WeakPolarHBondContact O-CB 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.34Å; K19-Q23 PolarHBondContact O-N 3.39Å
20	D	47.1	Very low	47.5	Very low	85 Å²	85	106.4 Å²	106.4	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-67.5	-41.4	178.2	-65.8	-24	0	0	0	110.2	N16 K17 Q23 L24	N16-D20 WeakPolarHBondContact O-CB 3.32Å; N16-D20 PolarHBondContact O-N 3.36Å; K17-D20 PolarHBondContact O-N 3.31Å; D20-Q23 CarbonylContact O-C 3.54Å; D20-Q23 PolarHBondContact O-N 3.4Å; D20-L24 WeakPolarHBondContact O-CB 3.23Å; D20-L24 WeakPolarHBondContact O-CD1 3.27Å; D20-L24 PolarHBondContact O-N 2.9Å
21	N	42.7	Very low	45.8	Very low	108 Å²	108	104.1 Å²	104.1	58%	0.578	53%	0.532	S	S	*	.	H	α-helix	trans	-66	-36.3	173.7	-74.7	-7.4	0	0	0	112.4	K17 T18 L24 S25	K17-N21 WeakPolarHBondContact O-CB 3.46Å; K17-N21 PolarHBondContact O-N 3.45Å; T18-N21 PolarHBondContact O-N 2.76Å; N21-L24 PolarHBondContact O-N 3.02Å; N21-S25 WeakPolarHBondContact O-CB 3.49Å; N21-S25 PolarHBondContact O-N 3.37Å; N21-S25 PolarHBondContact O-OG 2.87Å
22	L	43.3	Very low	44.5	Very low	87 Å²	87	108.7 Å²	108.7	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-69.1	-38.6	173	-76	163.1	0	0	0	111.8	T18 K19 L24 S25 S26	T18-L22 HydrophobicContact CG2-CD1 4.18Å; T18-L22 WeakPolarHBondContact O-CB 3.23Å; T18-L22 WeakPolarHBondContact O-CD1 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.23Å; T18-L22 WeakPolarHBondContact O-CG 3.43Å; T18-L22 PolarHBondContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 2.77Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-S25 PolarHBondContact O-N 3.33Å; L22-S25 PolarHBondContact O-OG 3.31Å; L22-S26 WeakPolarHBondContact O-CB 3.32Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.87Å
23	Q	41.1	Very low	43.2	Very low	115 Å²	115	113 Å²	113	54%	0.537	57%	0.571	S	S	.	*	H	α-helix	trans	-72.4	-27	172.8	-76.1	-166.3	10	0	0	113.2	K19 D20 S26 K27	K19-Q23 WeakPolarHBondContact O-CB 3.28Å; K19-Q23 WeakPolarHBondContact O-CG 3.34Å; K19-Q23 PolarHBondContact O-N 3.39Å; D20-Q23 CarbonylContact O-C 3.54Å; D20-Q23 PolarHBondContact O-N 3.4Å; Q23-S26 WeakPolarHBondContact CA-OG 3.38Å; Q23-S26 PolarHBondContact O-OG 3.17Å; Q23-K27 WeakPolarHBondContact O-CB 3.4Å; Q23-K27 WeakPolarHBondContact O-CD 3.5Å; Q23-K27 VanDerWaalsContact O-CG 3.26Å; Q23-K27 WeakPolarHBondContact O-CG 3.22Å; Q23-K27 PolarHBondContact O-N 3.42Å
24	L	40.8	Very low	41.5	Very low	86 Å²	86	116.5 Å²	116.5	45%	0.45	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-48.3	168.7	-98.7	77.2	0	0	0	109.7	D20 N21 L22 S26 K27 Y28	D20-L24 WeakPolarHBondContact O-CB 3.23Å; D20-L24 WeakPolarHBondContact O-CD1 3.27Å; D20-L24 PolarHBondContact O-N 2.9Å; N21-L24 PolarHBondContact O-N 3.02Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L24-S26 VanDerWaalsContact C-N 3.29Å; L24-S26 PolarHBondContact O-N 3.38Å; L24-K27 CarbonylContact O-C 3.56Å; L24-K27 WeakPolarHBondContact O-CA 3.44Å; L24-K27 PolarHBondContact O-N 2.85Å; L24-Y28 HydrophobicContact CB-CD2 4.24Å; L24-Y28 HydrophobicContact CB-CE2 4.45Å; L24-Y28 HydrophobicContact CD2-CE2 4.03Å; L24-Y28 HydrophobicContact CG-CD2 4.44Å; L24-Y28 HydrophobicContact CG-CE2 4.18Å; L24-Y28 VanDerWaalsContact O-CD2 3.27Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 3.2Å
25	S	35.9	Very low	40.1	Very low	64 Å²	64	119.7 Å²	119.7	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-59.1	-41.9	178.9	70.8	0	0	0	0	111.3	N21 L22 K27 Y28 S29	N21-S25 WeakPolarHBondContact O-CB 3.49Å; N21-S25 PolarHBondContact O-N 3.37Å; N21-S25 PolarHBondContact O-OG 2.87Å; L22-S25 PolarHBondContact O-N 3.33Å; L22-S25 PolarHBondContact O-OG 3.31Å; S25-K27 PolarHBondContact O-N 3.09Å; S25-Y28 PolarHBondContact O-N 3.01Å; S25-S29 WeakPolarHBondContact O-CB 3.32Å; S25-S29 PolarHBondContact O-N 3.19Å; S25-S29 PolarHBondContact O-OG 2.8Å; S25-S29 VanDerWaalsContact O-OG 3.11Å
26	S	35.3	Very low	38.7	Very low	60 Å²	60	124.2 Å²	124.2	42%	0.42	62%	0.616	S	S	.	*	H	α-helix	trans	-69.3	-13.1	174.5	77.5	0	0	0	0	114.9	L22 Q23 L24 S29 I30	L22-S26 WeakPolarHBondContact O-CB 3.32Å; L22-S26 PolarHBondContact O-N 3.49Å; L22-S26 PolarHBondContact O-OG 2.87Å; Q23-S26 WeakPolarHBondContact CA-OG 3.38Å; Q23-S26 PolarHBondContact O-OG 3.17Å; L24-S26 VanDerWaalsContact C-N 3.29Å; L24-S26 PolarHBondContact O-N 3.38Å; S26-S29 WeakPolarHBondContact CA-OG 3.45Å; S26-S29 PolarHBondContact O-OG 3.18Å; S26-I30 WeakPolarHBondContact O-CD1 3.27Å
27	K	39.4	Very low	37.5	Very low	142 Å²	142	127.1 Å²	127.1	62%	0.617	63%	0.631	S	S	*	*	H	α-helix	trans	-97.2	-34	172.9	-80.2	175.3	178.3	172.2	0	112.1	Q23 L24 S25 I30 S31	Q23-K27 WeakPolarHBondContact O-CB 3.4Å; Q23-K27 WeakPolarHBondContact O-CD 3.5Å; Q23-K27 VanDerWaalsContact O-CG 3.26Å; Q23-K27 WeakPolarHBondContact O-CG 3.22Å; Q23-K27 PolarHBondContact O-N 3.42Å; L24-K27 CarbonylContact O-C 3.56Å; L24-K27 WeakPolarHBondContact O-CA 3.44Å; L24-K27 PolarHBondContact O-N 2.85Å; S25-K27 PolarHBondContact O-N 3.09Å; K27-I30 PolarHBondContact O-N 3.49Å; K27-S31 WeakPolarHBondContact O-CB 3.49Å
28	Y	34.2	Very low	36.4	Very low	154 Å²	154	127.3 Å²	127.3	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-73	-29.7	173.6	-82.4	-77.3	0	0	0	111.8	L24 S25 I30 S31	L24-Y28 HydrophobicContact CB-CD2 4.24Å; L24-Y28 HydrophobicContact CB-CE2 4.45Å; L24-Y28 HydrophobicContact CD2-CE2 4.03Å; L24-Y28 HydrophobicContact CG-CD2 4.44Å; L24-Y28 HydrophobicContact CG-CE2 4.18Å; L24-Y28 VanDerWaalsContact O-CD2 3.27Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 3.2Å; S25-Y28 PolarHBondContact O-N 3.01Å; Y28-I30 PolarHBondContact O-N 3.38Å; Y28-S31 PolarHBondContact O-N 3.36Å
29	S	33.4	Very low	35.6	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-1	171.3	68.3	0	0	0	0	114.9	S25 S26	S25-S29 WeakPolarHBondContact O-CB 3.32Å; S25-S29 PolarHBondContact O-N 3.19Å; S25-S29 PolarHBondContact O-OG 2.8Å; S25-S29 VanDerWaalsContact O-OG 3.11Å; S26-S29 WeakPolarHBondContact CA-OG 3.45Å; S26-S29 PolarHBondContact O-OG 3.18Å
30	I	33.2	Very low	34.8	Very low	149 Å²	149	130.2 Å²	130.2	76%	0.764	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	6.4	176.5	-60.1	178.5	0	0	0	110.6	S26 K27 Y28	S26-I30 WeakPolarHBondContact O-CD1 3.27Å; K27-I30 PolarHBondContact O-N 3.49Å; Y28-I30 PolarHBondContact O-N 3.38Å
31	S	28.6	Very low	33.9	Very low	84 Å²	84	133.8 Å²	133.8	59%	0.587	67%	0.67	S	S	*	*	S	Bend	trans	-118.2	11.2	-172.5	-172.9	0	0	0	0	114.5	K27 Y28	K27-S31 WeakPolarHBondContact O-CB 3.49Å; Y28-S31 PolarHBondContact O-N 3.36Å
32	Y	28.5	Very low	33.5	Very low	204 Å²	204	134.7 Å²	134.7	80%	0.8	68%	0.675	S	S	*	*	S	Bend	trans	-114.1	44.7	-174.3	-113.3	-88.6	0	0	0	113.1
33	N	32.1	Very low	32.8	Very low	157 Å²	157	137.5 Å²	137.5	84%	0.84	69%	0.691	S	S	*	*	S	Bend	trans	-158.8	77.7	168	-98.5	-22.7	0	0	0	109.5
34	D	29.2	Very low	32.2	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	70%	0.7	S	S	*	*			trans	173.8	84.9	157.7	-101.5	-20.7	0	0	0	109.8
35	H	29.6	Very low	31.6	Very low	197 Å²	197	141.8 Å²	141.8	91%	0.912	72%	0.716	S	S	*	*			trans	-164	70.8	163.3	-102.3	18.7	0	0	0	111.5
36	R	28.5	Very low	31.2	Very low	239 Å²	239	146.1 Å²	146.1	90%	0.902	73%	0.733	S	S	*	*			trans	-159.4	137.7	158.9	-117.5	171.8	-171.4	-167.6	2	112.5
37	I	34.3	Very low	30.9	Very low	150 Å²	150	152.4 Å²	152.4	77%	0.769	75%	0.753	S	S	*	*			trans	89.1	90	164.5	-52	162.3	0	0	0	117
38	N	31.7	Very low	30.4	Very low	139 Å²	139	152.3 Å²	152.3	74%	0.743	76%	0.76	S	S	*	*			trans	40.2	123.1	130.1	-59	8.2	0	0	0	122.7
39	D	29.7	Very low	30.2	Very low	134 Å²	134	152.4 Å²	152.4	72%	0.717	77%	0.77	S	S	*	*				35.3	101	121	-50.7	-20.3	0	0	0	119.4
40	N	32.4	Very low	29.9	Very low	134 Å²	134	155.6 Å²	155.6	72%	0.717	78%	0.78	S	S	*	*				171.8	138.3	93.8	-91.7	-55.2	0	0	0	114.7
41	Q	29.1	Very low	29.7	Very low	160 Å²	160	155.2 Å²	155.2	75%	0.748	78%	0.779	S	S	*	*			trans	67.3	141.9	141.1	-67.6	177.9	-88.4	0	0	123.5
42	D	33	Very low	29.9	Very low	126 Å²	126	159.5 Å²	159.5	67%	0.674	79%	0.793	S	S	*	*			trans	79.6	82.7	150.2	-60.1	-17.8	0	0	0	122.1
43	N	28.3	Very low	29.9	Very low	146 Å²	146	156.5 Å²	156.5	78%	0.781	79%	0.786	S	S	*	*				27.3	110.3	111.6	-69.7	-53.8	0	0	0	117.7
44	C	28.4	Very low	29.8	Very low	108 Å²	108	154.3 Å²	154.3	73%	0.73	78%	0.779	S	S	*	*				179.1	141.9	101.9	-100.2	0	0	0	0	116.1
45	K	29	Very low	29.8	Very low	183 Å²	183	154.6 Å²	154.6	80%	0.796	77%	0.773	S	S	*	*			trans	80.2	131.6	139.1	-76	173.8	-179.1	173.9	0	122
46	L	28.2	Very low	29.9	Very low	155 Å²	155	153.1 Å²	153.1	81%	0.812	77%	0.771	S	S	*	*			trans	85.2	94.1	144.4	-72.3	159.2	0	0	0	119
47	K	28.5	Very low	30.2	Very low	193 Å²	193	146.3 Å²	146.3	84%	0.839	76%	0.76	S	S	*	*			trans	-48.8	132.8	138.2	-64.9	172.2	174.5	177.1	0	109.9
48	N	28	Very low	29.9	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	76%	0.755	S	S	*	*				-174.1	171.1	123.7	-95.7	-3.4	0	0	0	110.6
49	D	30.4	Very low	29.9	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	76%	0.756	S	S	*	*			trans	79	99	163.3	-52	-25.8	0	0	0	118.9
50	L	27.4	Very low	29.9	Very low	160 Å²	160	144.4 Å²	144.4	84%	0.838	75%	0.754	S	S	*	*			trans	-68.8	150.3	153.5	-108.1	76.5	0	0	0	110.3
51	N	28.5	Very low	29.6	Very low	141 Å²	141	149.3 Å²	149.3	75%	0.754	76%	0.764	S	S	*	*			trans	61.4	114.2	164.9	-75.1	-12.1	0	0	0	117.8
52	I	32.5	Very low	29.5	Very low	173 Å²	173	145.7 Å²	145.7	89%	0.887	76%	0.762	S	S	*	*				-166.7	155.8	123.1	-91.9	142.2	0	0	0	107.5
53	H	29.2	Very low	29.2	Very low	141 Å²	141	146.8 Å²	146.8	65%	0.653	77%	0.767	S	S	*	*			cis	172.7	126.5	-47.5	-150.6	-80.7	0	0	0	106
54	T	30	Very low	29.2	Very low	112 Å²	112	148 Å²	148	69%	0.687	77%	0.772	S	S	*	*			trans	61.6	162.2	157.4	38.6	0	0	0	0	119.5
55	K	29.3	Very low	29	Very low	161 Å²	161	150.2 Å²	150.2	70%	0.7	77%	0.772	S	S	*	*			cis	-154.1	146.9	21	-130.5	151.5	-175.2	-177.4	0	108.9
56	L	32.5	Very low	28.9	Very low	166 Å²	166	147.9 Å²	147.9	87%	0.869	77%	0.768	S	S	*	*	S	Bend		-178.9	142.5	100.7	-81.5	162.3	0	0	0	106
57	S	33.3	Very low	28.8	Very low	95 Å²	95	142.6 Å²	142.6	66%	0.664	75%	0.75	S	S	*	*			cis	-160.4	141.2	-10.8	47.5	0	0	0	0	109.4
58	H	29.1	Very low	28.8	Very low	147 Å²	147	142.9 Å²	142.9	68%	0.681	76%	0.755	S	S	*	*			trans	14.7	141.3	141.9	-63.5	-34.9	0	0	0	120.6
59	D	30.8	Very low	28.7	Very low	142 Å²	142	144.6 Å²	144.6	76%	0.759	75%	0.752	S	S	*	*			cis	-166.3	178.2	-3.6	-123.3	33.4	0	0	0	108.1
60	S	30.8	Very low	28.7	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	74%	0.744	S	S	*	*			cis	-146.4	-164.5	8.9	61.7	0	0	0	0	110.3
61	Y	25.2	Very low	28.7	Very low	236 Å²	236	144.8 Å²	144.8	93%	0.925	75%	0.749	S	S	*	*			trans	-145	131.9	170	-118.3	-91.9	0	0	0	110
62	A	27.8	Very low	28.6	Very low	85 Å²	85	146.2 Å²	146.2	70%	0.702	75%	0.751	S	S	*	*			trans	-159.1	116.1	158.5	0	0	0	0	0	112.4
63	N	25.3	Very low	28.4	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	74%	0.739	S	S	*	*			trans	47.6	112.5	150.4	-53.5	-25.5	0	0	0	120.1
64	I	28.8	Very low	28.2	Very low	171 Å²	171	149.6 Å²	149.6	88%	0.877	75%	0.753	S	S	*	*				-179.6	154.6	113.6	-89.3	155	0	0	0	109.9
65	E	24.9	Very low	28.1	Very low	156 Å²	156	153.7 Å²	153.7	73%	0.729	76%	0.756	S	S	*	*			trans	-75	168.6	-165.1	-54.9	166.4	123.4	0	0	116.1
66	N	27	Very low	28.1	Very low	134 Å²	134	151.2 Å²	151.2	72%	0.717	76%	0.759	S	S	*	*			trans	79.3	132.3	153.5	-61.1	-46.5	0	0	0	120.8	R154	N66-R154 PolarHBondContact O-NH1 3.04Å; N66-R154 PolarHBondContact O-NH2 2.93Å
67	G	26.1	Very low	27.9	Very low	43 Å²	43	150.3 Å²	150.3	44%	0.443	75%	0.754	S	S	.	*			trans	104.3	69.9	148.9	0	0	0	0	0	117	Y69 R154	G67-Y69 PolarHBondContact O-N 2.89Å; G67-R154 PolarHBondContact O-NH2 3.21Å
68	H	28.7	Very low	27.6	Very low	200 Å²	200	150 Å²	150	93%	0.926	75%	0.75	S	S	*	*			trans	-77.6	95.3	166.6	-153.3	72.8	0	0	0	109.4
69	Y	26	Very low	27.7	Very low	176 Å²	176	149.8 Å²	149.8	69%	0.69	75%	0.754	S	S	*	*			trans	-85.4	132.5	172.7	-83.3	-94	0	0	0	109.7	G67	G67-Y69 PolarHBondContact O-N 2.89Å
70	P	28.6	Very low	27.5	Very low	104 Å²	104	149 Å²	149	68%	0.675	75%	0.754	S	S	*	*			trans	-65.4	144.4	163.9	30.3	-32.9	0	0	0	108.9	Q72	P70-Q72 PolarHBondContact O-N 2.92Å
71	K	28.6	Very low	27.4	Very low	214 Å²	214	150.3 Å²	150.3	93%	0.93	76%	0.758	S	S	*	*			trans	-61.3	99.9	168.8	-76.6	-175.4	174.8	-175.7	0	108.6	E73	K71-E73 PolarHBondContact O-N 3.48Å
72	Q	26.1	Very low	27.4	Very low	171 Å²	171	145.1 Å²	145.1	80%	0.799	74%	0.744	S	S	*	*			trans	-68.1	115.4	159.9	-79.3	179.8	-55.3	0	0	107.2	P70 R74	P70-Q72 PolarHBondContact O-N 2.92Å; Q72-R74 PolarHBondContact O-N 3.42Å
73	E	28.2	Very low	27.4	Very low	138 Å²	138	145.6 Å²	145.6	65%	0.645	74%	0.74	S	S	*	*			trans	-50.5	123.5	149.9	-73.1	175.2	164	0	0	107	K71 R75	K71-E73 PolarHBondContact O-N 3.48Å; E73-R75 HydrophobicContact CB-CG 4.13Å; E73-R75 PolarHBondContact O-N 2.94Å; E73-R75 IonicContact OE2-CZ 2.69Å; E73-R75 IonicContact OE2-NE 3.92Å; E73-R75 PolarHBondContact OE2-NE 3.35Å; E73-R75 IonicContact OE2-NH2 2.76Å; E73-R75 PolarHBondContact OE2-NH2 3.24Å
74	R	25.8	Very low	27.5	Very low	248 Å²	248	143.4 Å²	143.4	94%	0.936	74%	0.736	S	S	*	*			trans	-71.2	74	162.5	-75.2	-169.7	-180	-162.7	2.9	107.9	Q72 S76	Q72-R74 PolarHBondContact O-N 3.42Å; R74-S76 PolarHBondContact O-N 3.17Å; R74-S76 VanDerWaalsContact O-N 3.15Å
75	R	27.3	Very low	27.4	Very low	197 Å²	197	140.6 Å²	140.6	74%	0.743	73%	0.728	S	S	*	*			trans	-62.6	114.1	156.2	-63.3	-176	-174.3	-147.8	-7.1	105	E73 L77	E73-R75 HydrophobicContact CB-CG 4.13Å; E73-R75 PolarHBondContact O-N 2.94Å; E73-R75 IonicContact OE2-CZ 2.69Å; E73-R75 IonicContact OE2-NE 3.92Å; E73-R75 PolarHBondContact OE2-NE 3.35Å; E73-R75 IonicContact OE2-NH2 2.76Å; E73-R75 PolarHBondContact OE2-NH2 3.24Å; R75-L77 PolarHBondContact O-N 3.19Å
76	S	29.6	Very low	27.6	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	73%	0.73	S	S	*	*			trans	-45.8	135.4	169.7	30.7	0	0	0	0	108.3	R74	R74-S76 PolarHBondContact O-N 3.17Å; R74-S76 VanDerWaalsContact O-N 3.15Å
77	L	27.2	Very low	27.8	Very low	148 Å²	148	140.5 Å²	140.5	78%	0.775	73%	0.731	S	S	*	*			trans	-52.9	135.9	164.5	-77	156.9	0	0	0	106.3	R75 D79	R75-L77 PolarHBondContact O-N 3.19Å; L77-D79 VanDerWaalsContact C-N 3.33Å; L77-D79 PolarHBondContact O-N 2.84Å
78	P	28.4	Very low	28.1	Very low	89 Å²	89	143 Å²	143	58%	0.578	74%	0.739	S	S	*	*			trans	-60.9	110.4	160.7	27.6	-29.5	0	0	0	104.7	V80	P78-V80 PolarHBondContact O-N 2.73Å
79	D	29.9	Very low	28.1	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	73%	0.728	S	S	*	*			trans	-55.6	112.7	166.7	-87.3	-36.9	0	0	0	105.6	L77 V81	L77-D79 VanDerWaalsContact C-N 3.33Å; L77-D79 PolarHBondContact O-N 2.84Å; D79-V81 HydrophobicContact CB-CG2 4.46Å; D79-V81 PolarHBondContact O-N 2.83Å
80	V	27.4	Very low	28.1	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	73%	0.728	S	S	*	*			trans	-66.5	92	162	175.9	0	0	0	0	103	P78 I82	P78-V80 PolarHBondContact O-N 2.73Å; V80-I82 HydrophobicContact CG1-CG1 4.44Å; V80-I82 PolarHBondContact O-N 2.76Å
81	V	27.4	Very low	28.2	Very low	123 Å²	123	142.9 Å²	142.9	75%	0.745	74%	0.739	S	S	*	*			trans	-62.9	84.4	168	-178.7	0	0	0	0	105.6	D79 P83	D79-V81 HydrophobicContact CB-CG2 4.46Å; D79-V81 PolarHBondContact O-N 2.83Å; V81-P83 WeakPolarHBondContact O-CD 3.44Å
82	I	26.5	Very low	28.3	Very low	126 Å²	126	137.6 Å²	137.6	65%	0.646	73%	0.729	S	S	*	*			trans	-50.6	122.7	155.3	-61.1	173.3	0	0	0	103.7	V80 S84	V80-I82 HydrophobicContact CG1-CG1 4.44Å; V80-I82 PolarHBondContact O-N 2.76Å; I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 2.94Å
83	P	26.5	Very low	28.3	Very low	95 Å²	95	134.4 Å²	134.4	62%	0.617	73%	0.725	S	S	*	*			trans	-58.3	99.4	173.7	-21.8	33	0	0	0	107.4	V81 T85	V81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-T85 PolarHBondContact O-N 2.91Å
84	S	27.7	Very low	28.3	Very low	102 Å²	102	135.6 Å²	135.6	71%	0.713	74%	0.735	S	S	*	*			trans	-72.8	93.1	171	-69.5	0	0	0	0	104.7	I82 N86	I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 2.94Å; S84-N86 PolarHBondContact O-N 3.3Å
85	T	28	Very low	28.3	Very low	113 Å²	113	131.9 Å²	131.9	69%	0.693	73%	0.728	S	S	*	*			trans	-66.9	73.6	-176.8	50.8	0	0	0	0	110.6	P83	P83-T85 PolarHBondContact O-N 2.91Å
86	N	29.2	Very low	28.4	Very low	147 Å²	147	129.3 Å²	129.3	79%	0.786	73%	0.728	S	S	*	*			trans	-103	100.2	156	-76.1	-33.3	0	0	0	105.9	S84	S84-N86 PolarHBondContact O-N 3.3Å
87	L	30.8	Very low	28.4	Very low	140 Å²	140	130 Å²	130	73%	0.733	72%	0.723	S	S	*	*			trans	-53.4	134.8	171.7	-73.1	83.1	0	0	0	108.7	I89	L87-I89 PolarHBondContact O-N 3.08Å
88	P	31.9	Very low	28.5	Very low	95 Å²	95	134.5 Å²	134.5	62%	0.617	73%	0.731	S	S	*	*			trans	-72.6	90.1	158	14.1	0.2	0	0	0	106.8	Y540	P88-Y540 VanDerWaalsContact CB-OH 3.32Å; P88-Y540 WeakPolarHBondContact CB-OH 3.29Å; P88-Y540 WeakPolarHBondContact CG-OH 3.23Å; P88-Y540 PolarHBondContact O-OH 3.5Å
89	I	29	Very low	28.5	Very low	134 Å²	134	137.9 Å²	137.9	69%	0.687	74%	0.74	S	S	*	*			trans	-56.8	129	165.5	-62.7	174	0	0	0	106.6	L87 R91	L87-I89 PolarHBondContact O-N 3.08Å; I89-R91 PolarHBondContact O-N 3.36Å
90	P	26.7	Very low	28.7	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	74%	0.743	S	S	*	*			trans	-67.3	100.8	-178.3	27.3	-34.3	0	0	0	109.8	S92	P90-S92 PolarHBondContact O-N 2.96Å
91	R	30.2	Very low	28.7	Very low	238 Å²	238	136 Å²	136	90%	0.898	75%	0.752	S	S	*	*			trans	-83.7	96.1	165	-83.7	-170.5	172.3	175.2	-1.4	109.2	I89	I89-R91 PolarHBondContact O-N 3.36Å
92	S	30	Very low	28.8	Very low	102 Å²	102	141.3 Å²	141.3	71%	0.713	76%	0.759	S	S	*	*			trans	-51.3	135.2	154.1	44.8	0	0	0	0	110.4	P90	P90-S92 PolarHBondContact O-N 2.96Å
93	S	25.8	Very low	28.8	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	77%	0.77	S	S	*	*			trans	42	104.8	152.7	59	0	0	0	0	118
94	L	28.7	Very low	28.9	Very low	162 Å²	162	147.2 Å²	147.2	85%	0.848	78%	0.778	S	S	*	*			trans	-163.5	108.1	142.5	-106.9	160.3	0	0	0	109.7
95	Q	26	Very low	28.7	Very low	170 Å²	170	148.6 Å²	148.6	79%	0.794	78%	0.782	S	S	*	*			trans	-59.5	141.4	156.4	-76	163.4	-81.6	0	0	108.5
96	I	30.6	Very low	28.8	Very low	144 Å²	144	151 Å²	151	74%	0.738	79%	0.789	S	S	*	*			trans	-136.9	110.6	160.9	-60.4	-176.7	0	0	0	107.2
97	D	29.6	Very low	28.7	Very low	122 Å²	122	153.2 Å²	153.2	65%	0.652	79%	0.788	S	S	*	*			trans	-63.7	148.9	173.1	-68.4	-58.7	0	0	0	111.7	E99	D97-E99 PolarHBondContact O-N 3.01Å
98	Y	28.6	Very low	28.6	Very low	243 Å²	243	154 Å²	154	95%	0.953	79%	0.792	S	S	*	*	S	Bend	trans	-80.7	49.5	174.6	-91.1	-87.1	0	0	0	112.7
99	E	28.7	Very low	28.3	Very low	160 Å²	160	157.2 Å²	157.2	75%	0.748	80%	0.799	S	S	*	*			trans	-127.2	145.3	168.7	-68	-158.5	155.5	0	0	112.4	D97	D97-E99 PolarHBondContact O-N 3.01Å
100	T	34.5	Very low	28.3	Very low	137 Å²	137	156.2 Å²	156.2	84%	0.84	80%	0.799	S	S	*	*			trans	74.3	91.4	179.6	76.3	0	0	0	0	117.1	R102	T100-R102 PolarHBondContact O-N 3.42Å
101	G	26.7	Very low	28.5	Very low	91 Å²	91	157.8 Å²	157.8	94%	0.938	81%	0.807	S	S	*	*			trans	-72.5	82	172.7	0	0	0	0	0	114.4
102	R	30.1	Very low	28.4	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	80%	0.801	S	S	*	*			trans	-128.8	116.6	162.3	-83.6	-172	173.9	-178.7	-0.1	111.8	T100	T100-R102 PolarHBondContact O-N 3.42Å
103	R	25.9	Very low	28.5	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	80%	0.803	S	S	*	*			trans	-85.5	115.2	-176.1	-162	-178.1	-162.7	-178.1	5.9	110.4
104	S	27.6	Very low	28.7	Very low	113 Å²	113	159.6 Å²	159.6	79%	0.79	81%	0.813	S	S	*	*			trans	-105.4	130.2	176.8	-63.6	0	0	0	0	111.5
105	T	25.3	Very low	28.7	Very low	130 Å²	130	156.5 Å²	156.5	80%	0.798	81%	0.811	S	S	*	*			trans	-102.6	117.1	-176.2	-36.9	0	0	0	0	109.8
106	I	29.6	Very low	28.8	Very low	164 Å²	164	156.3 Å²	156.3	84%	0.841	81%	0.81	S	S	*	*			trans	-135.2	145.3	168.9	-61.6	-174.8	0	0	0	110.4
107	Y	25.6	Very low	28.8	Very low	194 Å²	194	154.5 Å²	154.5	76%	0.761	81%	0.81	S	S	*	*			trans	-74.3	158.9	-165.8	-80.9	-127.5	0	0	0	114.6	E109	Y107-E109 HydrophobicContact CD1-CG 4.43Å
108	L	29.3	Very low	29	Very low	156 Å²	156	158.3 Å²	158.3	82%	0.817	82%	0.824	S	S	*	*			trans	-125.6	79.3	159.2	-93.1	167.2	0	0	0	110.3	T110	L108-T110 PolarHBondContact O-N 3.45Å
109	E	25.5	Very low	29	Very low	163 Å²	163	151.7 Å²	151.7	76%	0.762	81%	0.813	S	S	*	*			trans	-82.5	88.9	158.6	-76	-171.6	119.3	0	0	109.1	Y107	Y107-E109 HydrophobicContact CD1-CG 4.43Å
110	T	28.5	Very low	29.1	Very low	113 Å²	113	151.8 Å²	151.8	69%	0.693	82%	0.817	S	S	*	*			trans	-151.1	9.4	172	-22	0	0	0	0	116	L108	L108-T110 PolarHBondContact O-N 3.45Å
111	T	31.2	Very low	28.7	Very low	140 Å²	140	151.9 Å²	151.9	86%	0.859	81%	0.813	S	S	*	*	S	Bend	trans	-123.4	16.7	179.4	1.3	0	0	0	0	114.2
112	V	29.4	Very low	28.8	Very low	130 Å²	130	154.1 Å²	154.1	79%	0.788	80%	0.802	S	S	*	*	S	Bend	trans	-120.5	7.3	-178.2	-176.8	0	0	0	0	112.3
113	K	30.7	Very low	28.9	Very low	170 Å²	170	149.5 Å²	149.5	74%	0.739	80%	0.795	S	S	*	*	S	Bend	trans	-123.1	32	-174.8	-75.2	-172.8	172.3	175.7	0	115.6
114	L	30.3	Very low	28.9	Very low	183 Å²	183	145 Å²	145	96%	0.958	79%	0.788	S	S	*	*	S	Bend	trans	-130.1	28.8	171.5	-77.1	173.3	0	0	0	112.7
115	A	29.3	Very low	28.9	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	79%	0.787	S	S	*	*	S	Bend	trans	-130.3	15.5	176	0	0	0	0	0	113
116	E	27.3	Very low	29.2	Very low	167 Å²	167	150 Å²	150	78%	0.78	79%	0.787	S	S	*	*			trans	-124.4	54.6	-176.4	-67.3	-171.9	151.5	0	0	111.9
117	S	30.7	Very low	29.2	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	78%	0.781	S	S	*	*			trans	-161.8	81.6	165.3	61.6	0	0	0	0	111.9
118	E	33.3	Very low	29.2	Very low	202 Å²	202	142.1 Å²	142.1	94%	0.944	78%	0.775	S	S	*	*				-179.5	127.3	127.4	-97.9	169.7	-163.2	0	0	110.7
119	S	29.5	Very low	29.2	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	77%	0.772	S	S	*	*			trans	-81	153.7	-169.2	52.8	0	0	0	0	114.5
120	I	30.8	Very low	29.4	Very low	162 Å²	162	140.3 Å²	140.3	83%	0.831	77%	0.77	S	S	*	*			trans	168.7	91.5	133.9	-82.3	147.6	0	0	0	105.6
121	N	26.8	Very low	29.3	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	78%	0.775	S	S	*	*				86.8	141.8	68.9	-158.1	11.9	0	0	0	113.7
122	L	28.8	Very low	29.2	Very low	137 Å²	137	142 Å²	142	72%	0.717	76%	0.762	S	S	*	*			trans	74.8	134.8	179.8	-44.3	172	0	0	0	116.5
123	D	30.6	Very low	29	Very low	138 Å²	138	143.9 Å²	143.9	74%	0.738	76%	0.762	S	S	*	*			cis	-157.8	165.2	-8.3	-106	-18.2	0	0	0	111.2
124	D	25.8	Very low	29	Very low	137 Å²	137	142.4 Å²	142.4	73%	0.733	77%	0.767	S	S	*	*			trans	-65	153.8	-171.7	-62.9	-60	0	0	0	117
125	N	29.4	Very low	28.9	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	77%	0.765	S	S	*	*				174.6	154.4	109.2	-97.5	-71.1	0	0	0	116.9
126	Y	30.3	Very low	28.8	Very low	206 Å²	206	147 Å²	147	81%	0.808	77%	0.769	S	S	*	*			trans	76.5	76.5	162.2	-76.1	-70.1	0	0	0	122.5
127	S	29.3	Very low	28.8	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	77%	0.773	S	S	*	*				45.4	112.6	114.5	-54.6	0	0	0	0	123.1
128	S	26.1	Very low	28.8	Very low	93 Å²	93	149.1 Å²	149.1	65%	0.65	78%	0.777	S	S	*	*				21.7	133.7	125.8	63.9	0	0	0	0	121.5
129	N	28.9	Very low	28.6	Very low	141 Å²	141	146.8 Å²	146.8	75%	0.754	77%	0.77	S	S	*	*				176.1	159.4	106.3	-98.4	-39.5	0	0	0	116.6
130	I	30.5	Very low	28.5	Very low	140 Å²	140	151.1 Å²	151.1	72%	0.718	78%	0.776	S	S	*	*			trans	76	109.1	155.1	-70.4	154	0	0	0	116.8
131	F	26.5	Very low	28.5	Very low	181 Å²	181	150.4 Å²	150.4	79%	0.794	77%	0.773	S	S	*	*				68.3	140.4	78.9	-90	-116.4	0	0	0	113.6
132	N	28.8	Very low	28.6	Very low	109 Å²	109	150.9 Å²	150.9	58%	0.583	78%	0.775	S	S	*	*			cis	-161.2	-180	-11.1	-144.8	19.8	0	0	0	111.2
133	E	25.4	Very low	28.5	Very low	168 Å²	168	151.6 Å²	151.6	79%	0.785	78%	0.777	S	S	*	*			trans	-33.2	124	173	-58.5	169.2	110.8	0	0	117.4
134	T	30.2	Very low	28.4	Very low	140 Å²	140	149.4 Å²	149.4	86%	0.859	78%	0.778	S	S	*	*			trans	-155.6	19	158.8	-20.4	0	0	0	0	115.5
135	F	28.7	Very low	28.7	Very low	207 Å²	207	151.3 Å²	151.3	91%	0.908	79%	0.788	S	S	*	*	S	Bend	trans	-126.9	10.3	-171.1	-150.2	-103.2	0	0	0	116.2
136	L	26.9	Very low	28.6	Very low	168 Å²	168	153.1 Å²	153.1	88%	0.88	78%	0.784	S	S	*	*	S	Bend	trans	-109.3	19.9	-167	-114.5	175.2	0	0	0	116.3
137	N	27.6	Very low	28.4	Very low	161 Å²	161	149.4 Å²	149.4	86%	0.861	78%	0.779	S	S	*	*			trans	-142.4	21	-170.2	-107.3	-25.6	0	0	0	118.3
138	N	30	Very low	28.4	Very low	155 Å²	155	154.3 Å²	154.3	83%	0.829	79%	0.788	S	S	*	*			trans	-119.8	118.1	175.3	-88.7	-44.8	0	0	0	114.4
139	I	30	Very low	28.3	Very low	153 Å²	153	156.3 Å²	156.3	79%	0.785	79%	0.79	S	S	*	*			trans	82	82.3	154.5	-50.9	162.7	0	0	0	116.5
140	K	26.1	Very low	28.2	Very low	196 Å²	196	157.1 Å²	157.1	85%	0.852	79%	0.794	S	S	*	*			trans	-75.6	168.7	139.6	-79.9	177.1	174.2	173	0	109.7
141	L	30.8	Very low	28.1	Very low	148 Å²	148	156.1 Å²	156.1	78%	0.775	79%	0.79	S	S	*	*			trans	80.4	133.4	177.7	-51.9	164.1	0	0	0	112.5
142	N	30.2	Very low	28.2	Very low	148 Å²	148	155.7 Å²	155.7	79%	0.791	79%	0.788	S	S	*	*			cis	-136	158	10.3	-89.4	-42.4	0	0	0	112.6
143	M	26.4	Very low	28.4	Very low	152 Å²	152	155.9 Å²	155.9	75%	0.749	80%	0.795	S	S	*	*			trans	-106.5	166.3	169.1	-71.2	-177.3	70.2	0	0	111.5
144	A	28.5	Very low	28.4	Very low	93 Å²	93	156.5 Å²	156.5	77%	0.769	79%	0.79	S	S	*	*			trans	82.2	105.3	163.8	0	0	0	0	0	118.3
145	N	32	Very low	28.2	Very low	177 Å²	177	154.2 Å²	154.2	95%	0.947	79%	0.785	S	S	*	*				-147.4	164.6	109.9	-112.4	-27.5	0	0	0	111.2
146	R	26.8	Very low	28.2	Very low	179 Å²	179	152.9 Å²	152.9	68%	0.675	78%	0.781	S	S	*	*			trans	-118.1	163.4	-162.3	-129	-171.6	-174.5	168.3	-1.3	111.3
147	D	27.2	Very low	28.1	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	77%	0.774	S	S	*	*			trans	61.5	115.1	155.7	-45.9	-29.5	0	0	0	119.1
148	F	28.5	Very low	28	Very low	203 Å²	203	149.3 Å²	149.3	89%	0.89	77%	0.771	S	S	*	*				-161.4	161.2	124.2	-126.9	-93.8	0	0	0	112.2
149	L	25.6	Very low	28	Very low	135 Å²	135	147.7 Å²	147.7	71%	0.707	76%	0.761	S	S	*	*			trans	-79.9	158	-169	-70.4	109.5	0	0	0	115.8
150	L	25.4	Very low	28	Very low	158 Å²	158	144.8 Å²	144.8	83%	0.827	75%	0.754	S	S	*	*			trans	66.4	140	141.9	-76.1	161.5	0	0	0	122
151	D	27.8	Very low	28	Very low	118 Å²	118	141.5 Å²	141.5	63%	0.631	76%	0.756	S	S	*	*			trans	86.9	104.6	149.6	-134.3	33.4	0	0	0	122
152	K	29.9	Very low	27.8	Very low	173 Å²	173	139.8 Å²	139.8	75%	0.752	75%	0.752	S	S	*	*			trans	73.3	159.7	140.1	-83	-177.7	-161.5	90.4	0	122.1
153	P	31.8	Very low	27.7	Very low	113 Å²	113	144.1 Å²	144.1	73%	0.734	76%	0.758	S	S	*	*			trans	-118.1	147	-150.8	40.7	-30.1	0	0	0	115.1
154	R	25.7	Very low	27.6	Very low	181 Å²	181	145.9 Å²	145.9	68%	0.683	77%	0.765	S	S	*	*			trans	-177	103.5	146.8	-109.4	173.5	-179.5	-165.4	0.4	111.2	N66 G67	N66-R154 PolarHBondContact O-NH1 3.04Å; N66-R154 PolarHBondContact O-NH2 2.93Å; G67-R154 PolarHBondContact O-NH2 3.21Å
155	A	26	Very low	27.6	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	77%	0.77	S	S	*	*			trans	-162.3	133.3	154.3	0	0	0	0	0	110.1
156	H	28.8	Very low	27.4	Very low	178 Å²	178	151.7 Å²	151.7	82%	0.824	77%	0.768	S	S	*	*			trans	123.6	49	171.6	-74.8	-77.5	0	0	0	115.9
157	S	25.4	Very low	27.5	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	78%	0.777	S	S	*	*			trans	-77.9	114.3	130.2	59.1	0	0	0	0	108
158	L	26.4	Very low	27.6	Very low	151 Å²	151	151.5 Å²	151.5	79%	0.791	78%	0.784	S	S	*	*			trans	-178.2	148.5	155	-102.8	163.4	0	0	0	107.5
159	I	28.6	Very low	27.7	Very low	121 Å²	121	149.7 Å²	149.7	62%	0.621	78%	0.784	S	S	*	*	S	Bend	trans	90.2	97.1	176.6	-52.1	173.7	0	0	0	115.7	Y311	I159-Y311 HydrophobicContact CD1-CE1 4.11Å; I159-Y311 WeakPolarHBondContact CD1-OH 3.45Å
160	S	29.9	Very low	28	Very low	92 Å²	92	150.5 Å²	150.5	64%	0.643	79%	0.789	S	S	*	*			trans	100.2	41.8	139.3	-151.6	0	0	0	0	120.9	T162	S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 3.03Å; S160-T162 PolarHBondContact OG-OG1 2.99Å
161	S	26	Very low	28.5	Very low	127 Å²	127	151.7 Å²	151.7	89%	0.888	79%	0.79	S	S	*	*			trans	-79.7	77.5	146.5	63	0	0	0	0	110.9
162	T	27.6	Very low	28.8	Very low	112 Å²	112	155.6 Å²	155.6	69%	0.687	80%	0.801	S	S	*	*			trans	-124.1	73.3	172.8	23.2	0	0	0	0	110	S160	S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 3.03Å; S160-T162 PolarHBondContact OG-OG1 2.99Å
163	Y	27	Very low	28.8	Very low	238 Å²	238	151 Å²	151	93%	0.933	80%	0.803	S	S	*	*			trans	-164.7	60.4	160.3	-116.1	-72.3	0	0	0	112.6
164	Q	26.1	Very low	28.8	Very low	189 Å²	189	156.5 Å²	156.5	88%	0.883	81%	0.809	S	S	*	*			trans	-158	140.8	161.6	-115.6	174.2	7.6	0	0	110.9
165	K	27.9	Very low	29	Very low	203 Å²	203	156.8 Å²	156.8	88%	0.883	82%	0.818	S	S	*	*			trans	82.7	80.2	-179.8	-55.7	179.1	178.2	177.6	0	117.6
166	Q	27.5	Very low	29.2	Very low	190 Å²	190	155.8 Å²	155.8	89%	0.888	82%	0.816	S	S	*	*			trans	-124.3	164.3	132.3	-78.9	-172.5	-14.9	0	0	108.3
167	L	29.1	Very low	29.3	Very low	166 Å²	166	158.9 Å²	158.9	87%	0.869	82%	0.821	S	S	*	*	S	Bend	trans	72.4	73	-168.2	-53.1	176.8	0	0	0	115.6
168	T	29.7	Very low	29.5	Very low	137 Å²	137	163.4 Å²	163.4	84%	0.84	83%	0.827	S	S	*	*				174.3	104.1	114.9	30.1	0	0	0	0	110.3
169	N	29.2	Very low	29.7	Very low	165 Å²	165	160.3 Å²	160.3	88%	0.882	82%	0.818	S	S	*	*			trans	-169.8	100	156	-108.4	-25.6	0	0	0	110.2
170	N	31.9	Very low	29.8	Very low	153 Å²	153	161 Å²	161	82%	0.818	82%	0.823	S	S	*	*			trans	-172.8	91.1	154.3	-98.6	-26.4	0	0	0	109.1
171	H	37	Very low	29.8	Very low	182 Å²	182	163.1 Å²	163.1	84%	0.843	83%	0.832	S	S	*	*				-170.9	139.6	112.3	-103.4	-76	0	0	0	113.3
172	K	33	Very low	29.9	Very low	201 Å²	201	161.5 Å²	161.5	87%	0.874	82%	0.82	S	S	*	*			trans	-64.8	155.1	-172.2	-56.2	159.3	177.6	173.6	0	114.3
173	G	30.6	Very low	29.9	Very low	76 Å²	76	167.5 Å²	167.5	78%	0.784	83%	0.83	S	S	*	*			trans	159.2	86.6	144.2	0	0	0	0	0	121.4
174	R	31.4	Very low	30	Very low	229 Å²	229	160.3 Å²	160.3	86%	0.864	82%	0.815	S	S	*	*			trans	58.6	114.1	148.9	-90.3	177.8	161.9	156.2	-4.8	122.7
175	Q	31.1	Very low	30.2	Very low	187 Å²	187	157.8 Å²	157.8	87%	0.874	81%	0.808	S	S	*	*				35.4	138.1	121.4	-58.4	176.4	-6.2	0	0	120.7
176	G	29.7	Very low	30.4	Very low	70 Å²	70	155.2 Å²	155.2	72%	0.722	80%	0.804	S	S	*	*			cis	161	178.3	-2.1	0	0	0	0	0	114.1
177	R	30.8	Very low	30.5	Very low	243 Å²	243	154.3 Å²	154.3	92%	0.917	80%	0.799	S	S	*	*			trans	78	121.3	-179.6	-61.1	179.5	173.5	174.2	-2.9	115.1
178	K	30.2	Very low	30.5	Very low	200 Å²	200	153.5 Å²	153.5	87%	0.87	79%	0.791	S	S	*	*				68	134.6	66.8	-74.3	-167	175.7	-168.9	0	112.5
179	S	29.5	Very low	30.4	Very low	86 Å²	86	156.6 Å²	156.6	60%	0.601	79%	0.792	S	S	*	*			cis	-167.3	-175.5	-0.8	40	0	0	0	0	110.9
180	D	31.5	Very low	30.4	Very low	135 Å²	135	155.8 Å²	155.8	72%	0.722	78%	0.781	S	S	*	*			trans	86.6	115.5	157.6	-50.6	-50.2	0	0	0	117.9
181	V	28.9	Very low	30.1	Very low	136 Å²	136	156.9 Å²	156.9	82%	0.824	79%	0.786	S	S	*	*				78	127.9	70.9	169.4	0	0	0	0	110.5
182	S	28.1	Very low	29.8	Very low	93 Å²	93	154.4 Å²	154.4	65%	0.65	78%	0.778	S	S	*	*			cis	-168.5	169.5	19.9	48.8	0	0	0	0	113.6
183	R	27.9	Very low	29.5	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.898	77%	0.771	S	S	*	*			trans	64.9	154	148.4	-84.5	178.2	163.3	140.7	-5.3	118.5
184	S	28.6	Very low	29.5	Very low	87 Å²	87	156 Å²	156	61%	0.608	78%	0.776	S	S	*	*			cis	-164.5	154.5	-3.9	42.1	0	0	0	0	111
185	D	30.3	Very low	29.2	Very low	137 Å²	137	154.3 Å²	154.3	73%	0.733	78%	0.775	S	S	*	*			trans	40.5	128.9	145.3	-43.3	-27.9	0	0	0	119.9
186	N	33	Very low	29.1	Very low	149 Å²	149	156.2 Å²	156.2	80%	0.797	77%	0.774	S	S	*	*				-170.7	168.8	71.2	-112.1	-56.5	0	0	0	116.5
187	H	28.2	Very low	28.9	Very low	171 Å²	171	160 Å²	160	79%	0.792	78%	0.777	S	S	*	*			trans	-55.3	148	177.6	-71.8	-104.4	0	0	0	117.2
188	E	29.1	Very low	28.6	Very low	149 Å²	149	152.6 Å²	152.6	70%	0.696	76%	0.763	S	S	*	*				-152.4	126.3	118.3	-144.2	-170.8	152.6	0	0	112.9	K190	E188-K190 IonicContact OE1-NZ 2.75Å; E188-K190 PolarHBondContact OE1-NZ 2.8Å; E188-K190 IonicContact OE2-NZ 3.86Å; E188-K190 PolarHBondContact OE2-NZ 3.3Å
189	K	27.4	Very low	28.3	Very low	201 Å²	201	150.1 Å²	150.1	87%	0.874	76%	0.758	S	S	*	*			trans	-94.1	125.9	163.1	-81.5	-178.9	175.9	176.7	0	108
190	K	30.6	Very low	28.3	Very low	149 Å²	149	155.4 Å²	155.4	65%	0.648	77%	0.771	S	S	*	*			trans	-124.6	102.9	169.6	-118	-177.1	-171	92.2	0	112.1	E188 I192	E188-K190 IonicContact OE1-NZ 2.75Å; E188-K190 PolarHBondContact OE1-NZ 2.8Å; E188-K190 IonicContact OE2-NZ 3.86Å; E188-K190 PolarHBondContact OE2-NZ 3.3Å; K190-I192 HydrophobicContact CD-CD1 4.18Å; K190-I192 HydrophobicContact CG-CD1 4.4Å
191	L	25.2	Very low	28.1	Very low	176 Å²	176	157.9 Å²	157.9	92%	0.921	78%	0.775	S	S	*	*			trans	-87.7	107.7	168.9	-173.2	85.1	0	0	0	108.2
192	I	29.8	Very low	28.1	Very low	130 Å²	130	158.1 Å²	158.1	67%	0.667	78%	0.776	S	S	*	*			trans	-134.7	124	173.2	-62.8	-176.7	0	0	0	110.4	K190	K190-I192 HydrophobicContact CD-CD1 4.18Å; K190-I192 HydrophobicContact CG-CD1 4.4Å
193	S	28.4	Very low	28	Very low	104 Å²	104	162 Å²	162	73%	0.727	78%	0.781	S	S	*	*			trans	-74.5	150.2	175.2	56.1	0	0	0	0	112.6
194	K	29.6	Very low	28.2	Very low	205 Å²	205	156.8 Å²	156.8	89%	0.891	78%	0.778	S	S	*	*			trans	-165.3	135.3	147	-109.8	152.1	-171.8	177.3	0	115.5
195	K	25.6	Very low	28.2	Very low	195 Å²	195	159.1 Å²	159.1	85%	0.848	78%	0.784	S	S	*	*			trans	-49.3	144.3	172.6	-61.9	165.2	169.4	176.5	0	115.4
196	R	27.8	Very low	28.1	Very low	227 Å²	227	162 Å²	162	86%	0.857	79%	0.79	S	S	*	*				-178.7	127.6	121.2	-99.6	172.6	158	165.1	-6.4	108.8
197	L	26.1	Very low	27.8	Very low	149 Å²	149	166.2 Å²	166.2	78%	0.78	79%	0.794	S	S	*	*				50.9	129.8	87.2	-72.6	139.2	0	0	0	112.6
198	S	24.5	Very low	27.7	Very low	87 Å²	87	166.8 Å²	166.8	61%	0.608	80%	0.795	S	S	*	*			cis	179.2	170.9	-5.6	42.4	0	0	0	0	109.3
199	L	25.1	Very low	27.7	Very low	148 Å²	148	171.7 Å²	171.7	78%	0.775	81%	0.807	S	S	*	*			trans	76.8	122.8	171.9	-45.3	158.8	0	0	0	113.2
200	F	28.4	Very low	27.8	Very low	197 Å²	197	171.1 Å²	171.1	86%	0.864	81%	0.805	S	S	*	*				-152.6	163.2	53.8	-109.8	-93	0	0	0	114.3
201	K	26.6	Very low	27.8	Very low	188 Å²	188	170 Å²	170	82%	0.817	82%	0.815	S	S	*	*			trans	-80.6	147.1	177.4	-55.9	161.4	177.8	170.1	0	111.7
202	V	29.2	Very low	27.9	Very low	141 Å²	141	170.7 Å²	170.7	86%	0.855	81%	0.811	S	S	*	*				-149.9	123.3	120.3	-175.6	0	0	0	0	109.8
203	K	27	Very low	28	Very low	173 Å²	173	171.7 Å²	171.7	75%	0.752	82%	0.817	S	S	*	*			trans	-102.6	138.8	162.9	-72.1	-178.1	176.9	-178.6	0	109
204	P	32.6	Very low	28.3	Very low	129 Å²	129	172.5 Å²	172.5	84%	0.838	82%	0.823	S	S	*	*			trans	-91.2	111	144.2	-8.3	26.9	0	0	0	108.2
205	L	27	Very low	28.2	Very low	137 Å²	137	169.3 Å²	169.3	72%	0.717	82%	0.815	S	S	*	*			trans	-71.7	134.9	172.4	-90.5	137.7	0	0	0	110.2	R207	L205-R207 PolarHBondContact O-N 3.38Å
206	K	28	Very low	28.4	Very low	198 Å²	198	168 Å²	168	86%	0.861	81%	0.812	S	S	*	*			trans	-52.6	126.2	152.9	-67.4	-176.7	174.8	-171.9	0	107.4
207	R	27.4	Very low	28.6	Very low	236 Å²	236	163 Å²	163	89%	0.891	81%	0.811	S	S	*	*			trans	-121.9	88.5	172.9	-127.4	-179	-174.9	-180	0.8	110.1	L205 R209	L205-R207 PolarHBondContact O-N 3.38Å; R207-R209 PolarHBondContact O-N 3.47Å
208	F	27.3	Very low	28.7	Very low	183 Å²	183	163.7 Å²	163.7	80%	0.803	82%	0.815	S	S	*	*			trans	-49.8	127.5	153.4	-98.2	-97	0	0	0	108.6	K210	F208-K210 PolarHBondContact O-N 3.41Å
209	R	29	Very low	29	Very low	253 Å²	253	165.3 Å²	165.3	96%	0.955	83%	0.826	S	S	*	*			trans	-89.5	87.1	160.6	-98.7	-177.6	166.8	169.2	-4.8	108.4	R207	R207-R209 PolarHBondContact O-N 3.47Å
210	K	29.3	Very low	29.3	Very low	189 Å²	189	163.7 Å²	163.7	82%	0.822	83%	0.825	S	S	*	*			trans	-102.3	117	151.3	-90.9	-176.5	173.4	175.6	0	107	F208 K212	F208-K210 PolarHBondContact O-N 3.41Å; K210-K212 PolarHBondContact O-N 2.91Å
211	S	29.8	Very low	29.5	Very low	124 Å²	124	163 Å²	163	87%	0.867	82%	0.824	S	S	*	*			trans	-87.2	99.8	177.1	52	0	0	0	0	110.6
212	K	28.4	Very low	29.5	Very low	191 Å²	191	163.4 Å²	163.4	83%	0.83	83%	0.826	S	S	*	*			trans	-141.9	130.1	153.8	-94.2	-173	174.4	-179.9	0	107.7	K210	K210-K212 PolarHBondContact O-N 2.91Å
213	D	31.5	Very low	29.4	Very low	151 Å²	151	162 Å²	162	81%	0.807	82%	0.821	S	S	*	*			trans	145.9	111.8	142.6	-74	-9.6	0	0	0	112.1
214	S	33.3	Very low	29.6	Very low	121 Å²	121	160 Å²	160	85%	0.846	82%	0.824	S	S	*	*				-165.1	138.2	119.2	57.5	0	0	0	0	110.3
215	L	29.3	Very low	29.3	Very low	138 Å²	138	160.6 Å²	160.6	72%	0.723	82%	0.818	S	S	*	*			trans	-89.4	165.4	-176.7	-78.2	77.3	0	0	0	112.6
216	H	29.7	Very low	29.4	Very low	168 Å²	168	165.3 Å²	165.3	78%	0.778	83%	0.826	S	S	*	*			trans	73.2	101	153.4	-64.7	-57.5	0	0	0	119.9
217	S	31.1	Very low	29.4	Very low	121 Å²	121	162.2 Å²	162.2	85%	0.846	82%	0.82	S	S	*	*				-153.7	164.1	111.2	54.8	0	0	0	0	110.3
218	L	28.8	Very low	29.8	Very low	165 Å²	165	158.2 Å²	158.2	86%	0.864	82%	0.816	S	S	*	*			trans	-99.1	147.1	-162.9	-58.6	89.1	0	0	0	113.9
219	S	29.6	Very low	29.7	Very low	121 Å²	121	159.1 Å²	159.1	85%	0.846	82%	0.819	S	S	*	*				-160.1	148.1	124.5	56.2	0	0	0	0	111.6
220	P	31.2	Very low	29.9	Very low	113 Å²	113	151.8 Å²	151.8	73%	0.734	81%	0.807	S	S	*	*			trans	-121.6	143.8	-171.2	39.2	-26.9	0	0	0	115.8
221	Q	32.7	Very low	30.2	Very low	183 Å²	183	150 Å²	150	86%	0.855	81%	0.806	S	S	*	*			trans	-161.7	117.5	152.3	-103.3	160.2	37	0	0	107.7
222	K	28.3	Very low	30	Very low	196 Å²	196	152 Å²	152	85%	0.852	80%	0.804	S	S	*	*				49.1	129.1	94.5	-70.3	-175.6	176.8	-179.3	0	112.8
223	C	26.4	Very low	30	Very low	113 Å²	113	149.2 Å²	149.2	76%	0.764	80%	0.797	S	S	*	*			cis	-161.3	178.2	-2.7	-132.6	0	0	0	0	107.1
224	T	30.5	Very low	29.8	Very low	130 Å²	130	146.9 Å²	146.9	80%	0.798	79%	0.792	S	S	*	*			cis	-150.6	171	19.5	-37.2	0	0	0	0	110.1
225	I	25.7	Very low	29.6	Very low	142 Å²	142	146.3 Å²	146.3	73%	0.728	78%	0.784	S	S	*	*			trans	-97.5	146	175.7	-65.3	160.5	0	0	0	111
226	R	29.7	Very low	29.4	Very low	235 Å²	235	147.4 Å²	147.4	89%	0.887	79%	0.787	S	S	*	*			trans	-143.1	113.1	143.4	-136.9	176	-166.4	168	4.1	111.6
227	N	28.4	Very low	29.4	Very low	134 Å²	134	144.7 Å²	144.7	72%	0.717	78%	0.782	S	S	*	*			trans	-76.9	151.7	161.2	-74.9	-38.1	0	0	0	108.5
228	D	34.9	Very low	29.2	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	78%	0.775	S	S	*	*			trans	-136.6	127.6	142.8	-90.9	-46.5	0	0	0	110.4
229	K	26.9	Very low	29.4	Very low	202 Å²	202	141.3 Å²	141.3	88%	0.878	76%	0.763	S	S	*	*			trans	-119	128.6	164.3	-76.2	-178	176	-178.4	0	106.1
230	S	33.1	Very low	29.5	Very low	98 Å²	98	146 Å²	146	69%	0.685	76%	0.762	S	S	*	*			trans	-163.3	138.1	161.6	53.9	0	0	0	0	113.7
231	N	34.6	Very low	29.7	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	76%	0.76	S	S	*	*			trans	69.4	112.7	153.9	-52.5	-13.8	0	0	0	117.1
232	M	26.4	Very low	29.8	Very low	166 Å²	166	142.3 Å²	142.3	82%	0.818	75%	0.754	S	S	*	*			cis	74.4	124	34	-81.4	-163.9	130.8	0	0	117.9
233	I	27.4	Very low	29.9	Very low	132 Å²	132	140.2 Å²	140.2	68%	0.677	75%	0.752	S	S	*	*			trans	90	130.3	133.2	-76.2	173.3	0	0	0	120.9
234	S	26.9	Very low	30.3	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	74%	0.744	S	S	*	*			trans	69.5	152.9	154.4	-72.4	0	0	0	0	119.6
235	T	29.9	Very low	30.4	Very low	110 Å²	110	141.8 Å²	141.8	68%	0.675	75%	0.746	S	S	*	*			cis	-158.8	148.9	1	7.9	0	0	0	0	108.5
236	M	25.6	Very low	30.7	Very low	160 Å²	160	141.4 Å²	141.4	79%	0.788	75%	0.75	S	S	*	*				42.5	138.5	101.6	-53.7	-171.1	91.4	0	0	115.6
237	T	29.2	Very low	30.6	Very low	111 Å²	111	139.6 Å²	139.6	68%	0.681	75%	0.749	S	S	*	*			cis	-172.3	168.2	20.7	-3.4	0	0	0	0	112.4
238	C	27.8	Very low	30.9	Very low	102 Å²	102	138.4 Å²	138.4	69%	0.689	75%	0.751	S	S	*	*			trans	71	149.7	152.6	-75.2	0	0	0	0	119.4
239	D	33.1	Very low	30.5	Very low	114 Å²	114	136.2 Å²	136.2	61%	0.61	75%	0.747	S	S	*	*			cis	-156.3	152.3	5.1	-123.6	-32.9	0	0	0	113.3
240	R	31.7	Very low	30.7	Very low	220 Å²	220	134.2 Å²	134.2	83%	0.83	75%	0.746	S	S	*	*			trans	44.7	142.4	143.2	-71.2	161.1	-166.5	-140.5	-3.9	121.4
241	S	34.6	Very low	30.5	Very low	100 Å²	100	138 Å²	138	70%	0.699	75%	0.75	S	S	*	*			cis	-166.3	143.6	33.2	42	0	0	0	0	116.4
242	T	34.7	Very low	30	Very low	117 Å²	117	141 Å²	141	72%	0.718	75%	0.75	S	S	*	*			trans	60	119.5	138.7	59	0	0	0	0	125.2
243	N	31.1	Very low	30.1	Very low	152 Å²	152	140.3 Å²	140.3	81%	0.813	75%	0.748	S	S	*	*				64.8	144.2	129.6	-75.1	-25.3	0	0	0	121.1
244	S	34.3	Very low	30.3	Very low	86 Å²	86	143.4 Å²	143.4	60%	0.601	76%	0.756	S	S	*	*			cis	-171.3	149.5	3.9	48.3	0	0	0	0	114
245	K	32	Very low	30.6	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.826	76%	0.763	S	S	*	*			trans	59.9	149.7	142.6	-64.2	169.1	-175.7	176.2	0	117.9
246	T	32.6	Very low	30.5	Very low	134 Å²	134	144.6 Å²	144.6	82%	0.822	77%	0.766	S	S	*	*			cis	-159.9	167.4	17.2	-13	0	0	0	0	113.4
247	K	28.1	Very low	30.7	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.857	77%	0.768	S	S	*	*			trans	-63.6	149.3	-179.9	-52.6	165.4	174.2	179.5	0	117.5
248	S	33.3	Very low	30.5	Very low	110 Å²	110	148.2 Å²	148.2	77%	0.769	77%	0.774	S	S	*	*				167	137.5	128.9	50	0	0	0	0	109.1
249	S	27.8	Very low	30.6	Very low	105 Å²	105	153 Å²	153	73%	0.734	78%	0.784	S	S	*	*			cis	93.5	140.6	39	-60.5	0	0	0	0	114.7
250	L	30.9	Very low	30.3	Very low	161 Å²	161	151.6 Å²	151.6	84%	0.843	78%	0.783	S	S	*	*			trans	82.9	121.6	-178.9	-60.7	117.6	0	0	0	115.4
251	K	28.2	Very low	30.2	Very low	177 Å²	177	147.2 Å²	147.2	77%	0.77	78%	0.781	S	S	*	*				87.6	106.7	50.4	-84.3	-171.1	173.5	177.1	0	115.1
252	R	25	Very low	30	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	78%	0.782	S	S	*	*			trans	75.1	151.9	133	-156.5	-164.2	-83.2	-172.6	-9.9	118.7
253	I	28.4	Very low	29.9	Very low	150 Å²	150	151.9 Å²	151.9	77%	0.769	79%	0.785	S	S	*	*			trans	111.3	122.9	150.9	-57.8	173.9	0	0	0	116.7
254	K	30.1	Very low	29.6	Very low	197 Å²	197	149.7 Å²	149.7	86%	0.857	78%	0.781	S	S	*	*			trans	-62.8	150.1	166.2	-60.2	175.9	176.1	-178.9	0	111.7
255	P	34.7	Very low	29.5	Very low	133 Å²	133	151 Å²	151	86%	0.864	79%	0.79	S	S	*	*			trans	-108	114.3	157.6	33.2	-23.4	0	0	0	112.2
256	S	26.3	Very low	29.5	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	79%	0.787	S	S	*	*			trans	-112	127.7	151.1	54.1	0	0	0	0	108.5
257	K	31.2	Very low	29.4	Very low	194 Å²	194	151 Å²	151	84%	0.843	78%	0.784	S	S	*	*			trans	155.7	123.3	161.3	-90.1	161.4	-178.2	-176.9	0	108.9
258	L	25.3	Very low	29.4	Very low	154 Å²	154	148.7 Å²	148.7	81%	0.806	78%	0.781	S	S	*	*				72.4	102.2	72.4	-86.9	162	0	0	0	114.7
259	F	29.6	Very low	29.1	Very low	203 Å²	203	151 Å²	151	89%	0.89	78%	0.783	S	S	*	*			trans	-149.9	97.4	147.2	-95.6	-88.8	0	0	0	104.6
260	S	25.9	Very low	29.3	Very low	84 Å²	84	149.1 Å²	149.1	59%	0.587	78%	0.781	S	S	*	*				71.4	114.9	75.7	78.9	0	0	0	0	114.8
261	T	31	Very low	29.3	Very low	128 Å²	128	148.3 Å²	148.3	79%	0.785	78%	0.776	S	S	*	*			trans	-167	121	130.4	24.3	0	0	0	0	112.6
262	N	29.8	Very low	29.3	Very low	134 Å²	134	145.1 Å²	145.1	72%	0.717	77%	0.771	S	S	*	*			trans	63.7	112.6	139.5	-63.3	-29.1	0	0	0	124
263	K	31.7	Very low	29.7	Very low	181 Å²	181	143 Å²	143	79%	0.787	77%	0.767	S	S	*	*				78.4	94.8	121.5	-68.2	-174.2	177.8	-175.9	0	121.6
264	S	25.7	Very low	29.8	Very low	106 Å²	106	142 Å²	142	74%	0.741	76%	0.764	S	S	*	*				43.9	110.5	112.5	66.2	0	0	0	0	121.9
265	S	31.3	Very low	30	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	76%	0.76	S	S	*	*			trans	-164.8	111.9	134.8	35	0	0	0	0	106.7
266	H	32.5	Very low	29.9	Very low	164 Å²	164	139.4 Å²	139.4	76%	0.759	75%	0.751	S	S	*	*				52.5	121.3	76.2	-93.5	-98	0	0	0	115.9
267	E	31.4	Very low	30.3	Very low	161 Å²	161	141.1 Å²	141.1	75%	0.752	75%	0.752	S	S	*	*			trans	74.9	92.5	145.8	-73.2	158.4	-150.4	0	0	121.5
268	N	27	Very low	30.5	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	75%	0.747	S	S	*	*				27	136.9	106.1	-94	-14.1	0	0	0	120.6
269	I	28.1	Very low	30.8	Very low	157 Å²	157	139.3 Å²	139.3	81%	0.805	74%	0.742	S	S	*	*			trans	83.8	126.4	153.2	-58.2	153.1	0	0	0	117.4
270	G	31.5	Very low	30.8	Very low	67 Å²	67	135 Å²	135	69%	0.691	74%	0.738	S	S	*	*			trans	136.2	80.1	165.3	0	0	0	0	0	113.5
271	I	30.2	Very low	30.9	Very low	144 Å²	144	136.6 Å²	136.6	74%	0.738	75%	0.748	S	S	*	*				75.9	100.3	80.6	-65.9	176.4	0	0	0	114.1
272	T	28.6	Very low	30.8	Very low	110 Å²	110	134.8 Å²	134.8	68%	0.675	74%	0.74	S	S	*	*			trans	71.9	126	143.2	59.2	0	0	0	0	123.9
273	K	32.9	Very low	30.7	Very low	170 Å²	170	137.3 Å²	137.3	74%	0.739	75%	0.747	S	S	*	*				93.7	117.1	121.5	-80.4	179	174	-169.9	0	122.1
274	D	30.5	Very low	30.6	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	75%	0.752	S	S	*	*				87	133.9	121.9	-60.3	-15.1	0	0	0	121.7
275	L	34.9	Very low	30.7	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	75%	0.753	S	S	*	*			trans	100.1	97.1	153.6	-62.5	158.2	0	0	0	121.1
276	N	33.2	Very low	30.4	Very low	130 Å²	130	143 Å²	143	70%	0.695	75%	0.754	S	S	*	*				52.8	117.1	120.8	-59.5	0.8	0	0	0	121.8
277	N	33.6	Very low	30.1	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	76%	0.756	S	S	*	*				175.8	144.4	98.4	-91.6	-26.2	0	0	0	113.5
278	H	35.7	Very low	29.9	Very low	155 Å²	155	139 Å²	139	72%	0.718	75%	0.752	S	S	*	*			trans	35.7	140.3	145.2	-72.8	-108.7	0	0	0	120.5
279	E	32.3	Very low	29.8	Very low	154 Å²	154	139.2 Å²	139.2	72%	0.72	75%	0.752	S	S	*	*			cis	-168.7	142.5	24.7	-148.5	150.4	-127.4	0	0	112.5
280	S	29.5	Very low	29.8	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	75%	0.75	S	S	*	*			trans	53.8	145.2	160.2	68.2	0	0	0	0	120.3
281	C	27.8	Very low	29.6	Very low	117 Å²	117	139.3 Å²	139.3	79%	0.791	75%	0.751	S	S	*	*			cis	-151.6	168.8	6.3	-150.8	0	0	0	0	110.9
282	S	27.5	Very low	29.4	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	75%	0.753	S	S	*	*			trans	-22.6	148.3	168.4	43.9	0	0	0	0	118.4
283	E	29.4	Very low	29.5	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	75%	0.753	S	S	*	*			cis	-156.1	158.2	26.3	-127.2	143.7	-137.2	0	0	112.3
284	R	28.1	Very low	29.1	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.879	76%	0.756	S	S	*	*			trans	-95.5	143.9	-174.4	-65.7	174.8	175.8	174	-3.6	111.3
285	S	28.6	Very low	29.1	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	76%	0.76	S	S	*	*			cis	78.2	124.2	29.2	90.9	0	0	0	0	116.3
286	E	25.8	Very low	28.7	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	76%	0.76	S	S	*	*			trans	-64	167.5	-169.8	-59.5	164.6	135	0	0	116.4
287	D	25.2	Very low	28.4	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	76%	0.758	S	S	*	*			trans	65.5	118.3	137.8	-83.2	12.5	0	0	0	122.9
288	S	26.6	Very low	28.1	Very low	97 Å²	97	140 Å²	140	68%	0.678	76%	0.761	S	S	*	*				130.5	157.1	108	71.7	0	0	0	0	118.4
289	L	26.4	Very low	27.6	Very low	151 Å²	151	140.5 Å²	140.5	79%	0.791	77%	0.766	S	S	*	*			trans	79.3	127.8	154.1	-70.8	158	0	0	0	120.7
290	G	28	Very low	27.4	Very low	74 Å²	74	143.2 Å²	143.2	76%	0.763	78%	0.776	S	S	*	*			trans	153.1	33.9	175.6	0	0	0	0	0	114.4
291	Q	27.6	Very low	27.3	Very low	153 Å²	153	147.3 Å²	147.3	72%	0.715	78%	0.779	S	S	*	*				63	118.5	106.2	-87.2	-168.6	13.7	0	0	118.2
292	L	25.9	Very low	27.2	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	78%	0.776	S	S	*	*			trans	79.3	154.5	150.5	-55.6	168	0	0	0	118.8
293	P	29.6	Very low	27.3	Very low	104 Å²	104	152.9 Å²	152.9	68%	0.675	79%	0.787	S	S	*	*				-140.8	179.6	-59.5	41.1	-24.4	0	0	0	114.4
294	M	25.6	Very low	27.2	Very low	161 Å²	161	153 Å²	153	79%	0.793	79%	0.787	S	S	*	*			trans	80.6	142.6	156.6	-61.8	-63.3	-101.9	0	0	122.4
295	T	28.7	Very low	27.1	Very low	126 Å²	126	148.2 Å²	148.2	77%	0.773	78%	0.784	S	S	*	*			trans	71.8	82.1	151.2	41.4	0	0	0	0	121.7
296	R	26.8	Very low	27	Very low	203 Å²	203	154.5 Å²	154.5	77%	0.766	79%	0.791	S	S	*	*				27.4	130.2	119.6	-139.8	176.2	-174.6	166.3	2.4	119
297	N	27.1	Very low	27.2	Very low	123 Å²	123	152.2 Å²	152.2	66%	0.658	79%	0.79	S	S	*	*			trans	87.5	80.6	166	-65	-5.7	0	0	0	119.2
298	S	27.2	Very low	27.4	Very low	117 Å²	117	151.4 Å²	151.4	82%	0.818	79%	0.79	S	S	*	*				-160.7	160.5	127.3	-165.6	0	0	0	0	110.3
299	M	25.7	Very low	27.4	Very low	166 Å²	166	153 Å²	153	82%	0.818	79%	0.792	S	S	*	*	S	Bend	trans	76.3	60.2	173.6	-54.2	-125.1	-64.7	0	0	119.6
300	F	28	Very low	27.6	Very low	211 Å²	211	151.6 Å²	151.6	93%	0.925	78%	0.784	S	S	*	*				-144.2	81.8	129.9	-116.3	-81.1	0	0	0	109
301	K	27.2	Very low	27.6	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	78%	0.78	S	S	*	*			trans	-115.9	61.1	-174.7	-130.1	-170.2	-172.4	-172.8	0	111.1
302	H	25.9	Very low	27.7	Very low	157 Å²	157	156.2 Å²	156.2	73%	0.727	78%	0.779	S	S	*	*	S	Bend	trans	-157	148.1	159.9	-111.7	56.3	0	0	0	108.7
303	I	29.5	Very low	27.9	Very low	167 Å²	167	152.8 Å²	152.8	86%	0.856	77%	0.765	S	S	*	*	S	Bend	trans	69.6	54.9	179.8	-37.5	175	0	0	0	115
304	Q	26.9	Very low	28	Very low	187 Å²	187	152.2 Å²	152.2	87%	0.874	76%	0.76	S	S	*	*			trans	-152.3	67.4	151.5	-141	-180	32.9	0	0	112.5
305	T	26.6	Very low	28.4	Very low	133 Å²	133	152.3 Å²	152.3	82%	0.816	76%	0.756	S	S	*	*	S	Bend	trans	-156.9	50.9	173.9	-23.3	0	0	0	0	114.1
306	R	27.5	Very low	28.5	Very low	240 Å²	240	151.6 Å²	151.6	91%	0.906	75%	0.747	S	S	*	*	S	Bend	trans	-156.8	28.1	169.2	-123	171.5	-168.9	-175.4	2.5	118.8
307	T	29.4	Very low	28.9	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	75%	0.746	S	S	*	*	S	Bend	trans	-129.8	25.8	173.6	41.1	0	0	0	0	114.5
308	T	28.8	Very low	29.4	Very low	129 Å²	129	149.4 Å²	149.4	79%	0.791	74%	0.743	S	S	*	*	S	Bend	trans	-128.1	46.9	172.4	42.6	0	0	0	0	111.9
309	N	27.8	Very low	29.7	Very low	132 Å²	132	148.7 Å²	148.7	71%	0.706	73%	0.729	S	S	*	*	S	Bend	trans	-148.5	16.9	168.8	-103.1	-20.9	0	0	0	114.2	T313	N309-T313 PolarHBondContact O-OG1 3.4Å
310	L	29.8	Very low	30.2	Very low	121 Å²	121	146.4 Å²	146.4	63%	0.634	72%	0.72	S	S	*	*	S	Bend	trans	-103.5	7.1	177.9	-79.6	163.5	0	0	0	114	T314	L310-T314 PolarHBondContact O-OG1 3.19Å
311	Y	28.8	Very low	30.7	Very low	172 Å²	172	143 Å²	143	68%	0.675	71%	0.705	S	S	*	*	S	Bend	trans	-99.6	6	176.5	-117.4	-89.1	0	0	0	114.5	I159	I159-Y311 HydrophobicContact CD1-CE1 4.11Å; I159-Y311 WeakPolarHBondContact CD1-OH 3.45Å
312	Q	29.1	Very low	31.2	Very low	151 Å²	151	139.6 Å²	139.6	71%	0.706	69%	0.692	S	S	*	*	S	Bend	trans	-121.5	-20.9	172.2	-78.9	179.9	-24.8	0	0	113.4
313	T	30.1	Very low	31.6	Very low	78 Å²	78	136.7 Å²	136.7	48%	0.479	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.3	-22	175.6	13.8	0	0	0	0	113.9	N309 K315	N309-T313 PolarHBondContact O-OG1 3.4Å; T313-K315 VanDerWaalsContact C-N 3.34Å
314	T	31.7	Very low	31.8	Very low	92 Å²	92	137.4 Å²	137.4	56%	0.564	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-10.3	175	41.2	0	0	0	0	114.3	L310	L310-T314 PolarHBondContact O-OG1 3.19Å
315	K	33.6	Very low	32.3	Very low	163 Å²	163	133.5 Å²	133.5	71%	0.709	66%	0.66	S	S	*	*	S	Bend	trans	-93.1	-15.2	172.3	-87.3	-174.8	172	-179.2	0	114.8	T313	T313-K315 VanDerWaalsContact C-N 3.34Å
316	N	32.1	Very low	32.8	Very low	111 Å²	111	131.9 Å²	131.9	59%	0.594	65%	0.646	S	S	*	*	S	Bend	trans	-92.8	-6.5	177.5	-75.8	-14.1	0	0	0	113.7
317	F	34.8	Very low	33.2	Very low	172 Å²	172	126.3 Å²	126.3	75%	0.754	63%	0.634	S	S	*	*	H	α-helix	trans	-84.8	-25.8	175.4	-108.2	-91	0	0	0	114.1
318	D	36	Very low	33.7	Very low	108 Å²	108	124.4 Å²	124.4	58%	0.578	62%	0.618	S	S	*	*	H	α-helix	trans	-78.6	-28.5	176.9	-77.6	-39.5	0	0	0	113.3	K321 Q322	D318-K321 PolarHBondContact O-N 2.83Å; D318-Q322 PolarHBondContact O-N 2.99Å
319	L	35.4	Very low	33.9	Very low	103 Å²	103	126.3 Å²	126.3	54%	0.539	62%	0.619	S	S	.	*	H	α-helix	trans	-70.7	-34	179.2	-88	153.7	0	0	0	113.5
320	N	35.5	Very low	34.3	Very low	118 Å²	118	128.2 Å²	128.2	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-78	-22.5	174.6	-80.5	-16.5	0	0	0	112.9	Y324	N320-Y324 PolarHBondContact O-N 3.48Å; N320-Y324 VanDerWaalsContact O-N 3.17Å
321	K	38.3	Very low	34.4	Very low	138 Å²	138	126.5 Å²	126.5	60%	0.6	62%	0.621	S	S	*	*	H	α-helix	trans	-73.6	-33.6	178.4	-156.7	171.6	-175.3	178.4	0	112.5	D318 L325	D318-K321 PolarHBondContact O-N 2.83Å; K321-L325 WeakPolarHBondContact O-CD1 3.37Å; K321-L325 WeakPolarHBondContact O-CG 3.38Å; K321-L325 PolarHBondContact O-N 3.39Å
322	Q	37	Very low	34.5	Very low	129 Å²	129	126.6 Å²	126.6	60%	0.603	63%	0.63	S	S	*	*	H	α-helix	trans	-74.3	-36.6	174.9	-70.3	-174.9	-52.6	0	0	112.9	D318 N326	D318-Q322 PolarHBondContact O-N 2.99Å; Q322-N326 PolarHBondContact O-N 3.38Å; Q322-N326 PolarHBondContact O-ND2 3.3Å
323	N	36	Very low	34.5	Very low	97 Å²	97	124.7 Å²	124.7	52%	0.519	63%	0.628	S	S	.	*	H	α-helix	trans	-72.5	-28.1	176.4	-76	-23.1	0	0	0	113.5	N327	N323-N327 PolarHBondContact O-ND2 3Å
324	Y	33.7	Very low	34.4	Very low	181 Å²	181	128.3 Å²	128.3	71%	0.71	65%	0.645	S	S	*	*	H	α-helix	trans	-76.5	-31.6	175.6	-134.6	-92.9	0	0	0	113.1	N320 I328	N320-Y324 PolarHBondContact O-N 3.48Å; N320-Y324 VanDerWaalsContact O-N 3.17Å; Y324-I328 HydrophobicContact CD1-CD1 4.03Å; Y324-I328 HydrophobicContact CE1-CD1 4.38Å; Y324-I328 WeakPolarHBondContact O-CD1 3.24Å; Y324-I328 WeakPolarHBondContact O-CG1 3.35Å
325	L	37.5	Very low	34.3	Very low	106 Å²	106	129.6 Å²	129.6	56%	0.555	66%	0.658	S	S	*	*	H	α-helix	trans	-76.9	-41.7	178	-72.7	167.7	0	0	0	112.2	K321 N327 I328 E329	K321-L325 WeakPolarHBondContact O-CD1 3.37Å; K321-L325 WeakPolarHBondContact O-CG 3.38Å; K321-L325 PolarHBondContact O-N 3.39Å; L325-N327 PolarHBondContact O-N 3.42Å; L325-I328 PolarHBondContact O-N 3.03Å; L325-I328 VanDerWaalsContact O-N 3.12Å; L325-E329 PolarHBondContact O-N 2.8Å
326	N	35.7	Very low	34	Very low	98 Å²	98	131 Å²	131	52%	0.524	66%	0.664	S	S	.	*	H	α-helix	trans	-64.4	-24.4	177.8	-72.3	-12.6	0	0	0	113.6	Q322	Q322-N326 PolarHBondContact O-N 3.38Å; Q322-N326 PolarHBondContact O-ND2 3.3Å
327	N	35.9	Very low	33.7	Very low	123 Å²	123	132.9 Å²	132.9	66%	0.658	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-11.9	177.1	-75.2	-18.7	0	0	0	113.9	N323 L325	N323-N327 PolarHBondContact O-ND2 3Å; L325-N327 PolarHBondContact O-N 3.42Å
328	I	39.3	Very low	33.5	Very low	90 Å²	90	131.9 Å²	131.9	46%	0.462	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.5	-31.9	178.5	-68.1	171.3	0	0	0	111.2	Y324 L325 H330	Y324-I328 HydrophobicContact CD1-CD1 4.03Å; Y324-I328 HydrophobicContact CE1-CD1 4.38Å; Y324-I328 WeakPolarHBondContact O-CD1 3.24Å; Y324-I328 WeakPolarHBondContact O-CG1 3.35Å; L325-I328 PolarHBondContact O-N 3.03Å; L325-I328 VanDerWaalsContact O-N 3.12Å; I328-H330 VanDerWaalsContact C-N 3.27Å; I328-H330 PolarHBondContact O-N 3.35Å
329	E	34.1	Very low	33	Very low	170 Å²	170	133 Å²	133	79%	0.794	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-17.9	175.8	-79.9	-172	133	0	0	114	L325	L325-E329 PolarHBondContact O-N 2.8Å
330	H	36.2	Very low	32.7	Very low	171 Å²	171	135.7 Å²	135.7	79%	0.792	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	0.9	-176.3	-114.3	-37.3	0	0	0	115.9	I328	I328-H330 VanDerWaalsContact C-N 3.27Å; I328-H330 PolarHBondContact O-N 3.35Å
331	S	31.5	Very low	32.4	Very low	86 Å²	86	142.3 Å²	142.3	60%	0.601	72%	0.723	S	S	*	*	S	Bend	trans	-117.6	0.9	-175.4	68.5	0	0	0	0	116.2
332	M	31.4	Very low	31.8	Very low	173 Å²	173	147.7 Å²	147.7	85%	0.852	74%	0.739	S	S	*	*			trans	-98.6	17.4	-177.6	-79.4	-152.6	161.3	0	0	115.8
333	T	28.7	Very low	31.3	Very low	111 Å²	111	144.6 Å²	144.6	68%	0.681	74%	0.742	S	S	*	*	S	Bend	trans	-103.9	112.1	167.1	56	0	0	0	0	110.7
334	N	28.2	Very low	31	Very low	155 Å²	155	146 Å²	146	83%	0.829	76%	0.759	S	S	*	*	S	Bend	trans	102.1	141.9	172	-57.2	-42.1	0	0	0	118.3
335	S	30.1	Very low	30.9	Very low	118 Å²	118	145 Å²	145	83%	0.825	77%	0.766	S	S	*	*			trans	71.1	89.9	164.3	-71.8	0	0	0	0	120.7
336	K	27.6	Very low	30.4	Very low	193 Å²	193	144.5 Å²	144.5	84%	0.839	77%	0.77	S	S	*	*			trans	0.8	134.6	131.7	-60.6	171.9	-179.9	174.6	0	118.1
337	N	25	Very low	30.3	Very low	151 Å²	151	147.1 Å²	147.1	81%	0.807	78%	0.782	S	S	*	*			trans	59.7	109.8	152.4	-65.4	-2.8	0	0	0	118.9
338	T	30.5	Very low	30.2	Very low	150 Å²	150	149.7 Å²	149.7	92%	0.92	79%	0.788	S	S	*	*				-160.7	147.8	128.1	6.6	0	0	0	0	110.6
339	V	26.3	Very low	29.9	Very low	131 Å²	131	150 Å²	150	79%	0.794	80%	0.798	S	S	*	*			trans	-96.4	142.1	-177.2	-179.2	0	0	0	0	109
340	L	28.9	Very low	30.2	Very low	161 Å²	161	150 Å²	150	84%	0.843	80%	0.798	S	S	*	*			trans	149.4	102.8	138.8	-80.6	164.5	0	0	0	113.5
341	R	28.7	Very low	30.2	Very low	257 Å²	257	147.6 Å²	147.6	97%	0.97	79%	0.79	S	S	*	*			trans	179.7	89.4	132.1	-100.2	-179.2	-174.6	-157.1	1.8	108.3
342	R	26.6	Very low	30.8	Very low	250 Å²	250	151.8 Å²	151.8	94%	0.943	81%	0.805	S	S	*	*			trans	-100.3	117.1	174.1	-103.5	-178.8	171.7	166.6	-3.3	108.8
343	G	26.2	Very low	32	Very low	64 Å²	64	149.6 Å²	149.6	66%	0.66	79%	0.793	S	S	*	*	S	Bend	trans	170.9	125	173.8	0	0	0	0	0	110.8
344	S	28.9	Very low	33.7	Very low	127 Å²	127	148.8 Å²	148.8	89%	0.888	79%	0.79	S	S	*	*	S	Bend	trans	72.9	16	167.2	-151.6	0	0	0	0	120.5
345	L	30.8	Very low	35.2	Very low	160 Å²	160	147.4 Å²	147.4	84%	0.838	78%	0.781	S	S	*	*			trans	-147	66	173.6	-155.4	79.1	0	0	0	114.3
346	C	27.1	Very low	37.2	Very low	95 Å²	95	144.2 Å²	144.2	64%	0.642	76%	0.756	S	S	*	*			trans	-134.5	15.2	-176.4	-61.5	0	0	0	0	116.1
347	I	34.6	Very low	39.7	Very low	154 Å²	154	137.4 Å²	137.4	79%	0.79	73%	0.731	S	S	*	*	S	Bend	trans	-99	-17.8	180	-60.1	179.7	0	0	0	112.8
348	F	34	Very low	42.5	Very low	176 Å²	176	131.1 Å²	131.1	77%	0.772	70%	0.698	S	S	*	*	S	Bend	trans	-104.2	-1.3	-176.8	-78.9	-78.4	0	0	0	115.8	Q350	F348-Q350 VanDerWaalsContact C-N 3.26Å; F348-Q350 PolarHBondContact O-N 2.9Å; F348-Q350 VanDerWaalsContact O-N 3.11Å
349	S	33.5	Very low	44.9	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	29	-171.6	48.8	0	0	0	0	115.4
350	Q	38.9	Very low	47.7	Very low	171 Å²	171	121.2 Å²	121.2	80%	0.799	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.2	15.9	178.6	-80.5	-169.1	-25.3	0	0	114.7	F348	F348-Q350 VanDerWaalsContact C-N 3.26Å; F348-Q350 PolarHBondContact O-N 2.9Å; F348-Q350 VanDerWaalsContact O-N 3.11Å
351	I	37.8	Very low	50.4	Low	121 Å²	121	116.3 Å²	116.3	62%	0.621	61%	0.612	S	S	*	*			trans	-123.8	83.3	178.1	-50.4	178.3	0	0	0	110.1	E353	I351-E353 PolarHBondContact O-N 2.84Å
352	D	43.3	Very low	53.2	Low	174 Å²	174	107.9 Å²	107.9	93%	0.93	59%	0.585	S	S	*	*			trans	-79.1	3.8	174.3	-76.2	-38.4	0	0	0	113.6
353	E	57.3	Low	56	Low	126 Å²	126	97 Å²	97	59%	0.589	55%	0.545	S	S	*	.	S	Bend	trans	-98.9	120.9	178.7	-158.8	172.6	-144.8	0	0	110.5	I351	I351-E353 PolarHBondContact O-N 2.84Å
354	P	62.9	Low	58.8	Low	94 Å²	94	96.8 Å²	96.8	61%	0.61	54%	0.538	S	S	*	.			trans	-63.3	143	-176.6	24.3	-33.3	0	0	0	111.7	V356	P354-V356 VanDerWaalsContact C-N 3.32Å; P354-V356 HydrophobicContact CB-CG2 4.28Å; P354-V356 HydrophobicContact CG-CG2 4.13Å; P354-V356 PolarHBondContact O-N 3.2Å
355	I	60.5	Low	61.7	Low	127 Å²	127	94.1 Å²	94.1	65%	0.651	52%	0.519	S	S	*	.			trans	-70.4	89.6	175.8	-57.1	178.9	0	0	0	109.2	F447	I355-F447 HydrophobicContact CG2-CD1 4.43Å; I355-F447 HydrophobicContact CG2-CE1 3.55Å; I355-F447 HydrophobicContact CG2-CZ 4.12Å
356	V	72.5	Confident	64.5	Low	50 Å²	50	87.6 Å²	87.6	30%	0.303	49%	0.485	S	S	.	.			trans	-96.7	140.8	176.5	-175	0	0	0	0	110	P354 A360 Q361 K446	P354-V356 VanDerWaalsContact C-N 3.32Å; P354-V356 HydrophobicContact CB-CG2 4.28Å; P354-V356 HydrophobicContact CG-CG2 4.13Å; P354-V356 PolarHBondContact O-N 3.2Å; V356-A360 HydrophobicContact CG1-CB 3.77Å; V356-Q361 HydrophobicContact CB-CG 3.66Å; V356-Q361 HydrophobicContact CG1-CG 3.63Å; V356-K446 PolarHBondContact O-NZ 3.47Å
357	T	80.2	Confident	67.5	Low	50 Å²	50	88.6 Å²	88.6	31%	0.307	48%	0.475	S	S	.	.			trans	-60.9	139.5	175	63.1	0	0	0	0	110.1	F359 A360 Q361 A443	T357-F359 PolarHBondContact O-N 3.49Å; T357-A360 PolarHBondContact O-N 2.72Å; T357-A360 WeakPolarHBondContact OG1-CB 3.5Å; T357-Q361 PolarHBondContact O-N 2.83Å; T357-A443 HydrophobicContact CG2-CB 4.1Å
358	P	82.6	Confident	70.1	Confident	19 Å²	19	88 Å²	88	12%	0.123	47%	0.467	C	S	.	.	H	α-helix	trans	-59.2	-35.5	-173.4	19.3	-29.1	0	0	0	112.5	Q361 I362 M442 K446	P358-Q361 PolarHBondContact O-N 3.48Å; P358-I362 WeakPolarHBondContact O-CD1 3.39Å; P358-I362 VanDerWaalsContact O-CG1 3.26Å; P358-I362 WeakPolarHBondContact O-CG1 3.31Å; P358-I362 PolarHBondContact O-N 3.23Å; P358-M442 HydrophobicContact CB-CG 4.25Å; P358-M442 HydrophobicContact CB-SD 3.86Å; P358-M442 HydrophobicContact CG-CB 4.27Å; P358-M442 HydrophobicContact CG-CG 3.61Å; P358-M442 WeakPolarHBondContact CG-O 3.45Å; P358-M442 HydrophobicContact CG-SD 3.75Å; P358-K446 HydrophobicContact CB-CD 4.07Å; P358-K446 HydrophobicContact CG-CB 4.2Å; P358-K446 HydrophobicContact CG-CD 3.88Å
359	F	82.5	Confident	72.9	Confident	36 Å²	36	83 Å²	83	16%	0.158	45%	0.45	C	S	.	.	H	α-helix	trans	-62.8	-43	175	-174.2	-109.5	0	0	0	113.1	T357 I362 L363 L430 V439 M442	T357-F359 PolarHBondContact O-N 3.49Å; F359-I362 PolarHBondContact O-N 3.19Å; F359-L363 HydrophobicContact CD1-CD1 3.92Å; F359-L363 HydrophobicContact CD1-CG 4.46Å; F359-L363 HydrophobicContact CE1-CD1 3.4Å; F359-L363 VanDerWaalsContact CE1-CD1 3.4Å; F359-L363 HydrophobicContact CE1-CG 4.09Å; F359-L363 HydrophobicContact CZ-CD1 3.84Å; F359-L363 HydrophobicContact CZ-CD2 4.49Å; F359-L363 HydrophobicContact CZ-CG 4.14Å; F359-L363 PolarHBondContact O-N 2.83Å; F359-L430 HydrophobicContact CE2-CD2 4.35Å; F359-V439 HydrophobicContact CB-CG1 4.07Å; F359-V439 HydrophobicContact CB-CG2 4.01Å; F359-V439 HydrophobicContact CD1-CG1 4.21Å; F359-V439 HydrophobicContact CD1-CG2 3.53Å; F359-V439 HydrophobicContact CD2-CG2 4.1Å; F359-V439 HydrophobicContact CE1-CG2 3.94Å; F359-V439 HydrophobicContact CE2-CG2 4.48Å; F359-V439 HydrophobicContact CG-CG1 4.39Å; F359-V439 HydrophobicContact CG-CG2 3.61Å; F359-V439 HydrophobicContact CZ-CG2 4.4Å; F359-M442 HydrophobicContact CB-SD 4.12Å; F359-M442 HydrophobicContact CD2-CE 4.35Å
360	A	84.4	Confident	75.7	Confident	38 Å²	38	79.6 Å²	79.6	31%	0.314	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-36.3	176	0	0	0	0	0	112.1	V356 T357 I362 L363 A364	V356-A360 HydrophobicContact CG1-CB 3.77Å; T357-A360 PolarHBondContact O-N 2.72Å; T357-A360 WeakPolarHBondContact OG1-CB 3.5Å; A360-I362 VanDerWaalsContact C-N 3.34Å; A360-L363 PolarHBondContact O-N 2.8Å; A360-A364 WeakPolarHBondContact O-CB 3.37Å; A360-A364 PolarHBondContact O-N 3.15Å
361	Q	85.6	Confident	78.1	Confident	58 Å²	58	76 Å²	76	27%	0.271	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-42.4	171.9	-65.1	-177.5	-54.1	0	0	111.5	V356 T357 P358 S365	V356-Q361 HydrophobicContact CB-CG 3.66Å; V356-Q361 HydrophobicContact CG1-CG 3.63Å; T357-Q361 PolarHBondContact O-N 2.83Å; P358-Q361 PolarHBondContact O-N 3.48Å; Q361-S365 WeakPolarHBondContact O-CB 3.34Å; Q361-S365 PolarHBondContact O-N 3.31Å; Q361-S365 PolarHBondContact O-OG 2.9Å
362	I	86.4	Confident	80.6	Confident	80 Å²	80	73.6 Å²	73.6	41%	0.41	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-49.1	176.6	-69.8	162.9	0	0	0	110.9	P358 F359 A360 A364 S365 L366 M442	P358-I362 WeakPolarHBondContact O-CD1 3.39Å; P358-I362 VanDerWaalsContact O-CG1 3.26Å; P358-I362 WeakPolarHBondContact O-CG1 3.31Å; P358-I362 PolarHBondContact O-N 3.23Å; F359-I362 PolarHBondContact O-N 3.19Å; A360-I362 VanDerWaalsContact C-N 3.34Å; I362-A364 PolarHBondContact O-N 3.04Å; I362-S365 PolarHBondContact O-N 3.41Å; I362-L366 HydrophobicContact CG2-CD1 3.72Å; I362-L366 HydrophobicContact CG2-CG 4.32Å; I362-L366 VanDerWaalsContact O-CG 3.31Å; I362-L366 WeakPolarHBondContact O-CG 3.44Å; I362-L366 PolarHBondContact O-N 2.85Å; I362-M442 HydrophobicContact CD1-SD 4.45Å
363	L	85.9	Confident	82.9	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-45.8	177.6	-79.8	179.3	0	0	0	112.4	F359 A360 S365 L366 R367 L427 L430 E431	F359-L363 HydrophobicContact CD1-CD1 3.92Å; F359-L363 HydrophobicContact CD1-CG 4.46Å; F359-L363 HydrophobicContact CE1-CD1 3.4Å; F359-L363 VanDerWaalsContact CE1-CD1 3.4Å; F359-L363 HydrophobicContact CE1-CG 4.09Å; F359-L363 HydrophobicContact CZ-CD1 3.84Å; F359-L363 HydrophobicContact CZ-CD2 4.49Å; F359-L363 HydrophobicContact CZ-CG 4.14Å; F359-L363 PolarHBondContact O-N 2.83Å; A360-L363 PolarHBondContact O-N 2.8Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.14Å; L363-L366 PolarHBondContact O-N 3.32Å; L363-R367 WeakPolarHBondContact O-CB 3.46Å; L363-R367 WeakPolarHBondContact O-CG 3.43Å; L363-R367 PolarHBondContact O-N 2.83Å; L363-L427 HydrophobicContact CD2-CD2 4.35Å; L363-L430 HydrophobicContact CD2-CB 3.92Å; L363-L430 HydrophobicContact CD2-CD1 4.48Å; L363-E431 HydrophobicContact CD1-CG 4.21Å; L363-E431 HydrophobicContact CD2-CG 4.03Å
364	A	85.8	Confident	84.4	Confident	60 Å²	60	62.9 Å²	62.9	50%	0.496	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-42.8	176.2	0	0	0	0	0	111.9	A360 I362 R367 K368	A360-A364 WeakPolarHBondContact O-CB 3.37Å; A360-A364 PolarHBondContact O-N 3.15Å; I362-A364 PolarHBondContact O-N 3.04Å; A364-R367 PolarHBondContact O-N 3.37Å; A364-K368 PolarHBondContact O-N 3.48Å
365	S	89.3	Confident	85.6	Confident	71 Å²	71	63.7 Å²	63.7	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-44.7	176.1	-59.6	0	0	0	0	112.1	Q361 I362 L363 K368 V369	Q361-S365 WeakPolarHBondContact O-CB 3.34Å; Q361-S365 PolarHBondContact O-N 3.31Å; Q361-S365 PolarHBondContact O-OG 2.9Å; I362-S365 PolarHBondContact O-N 3.41Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.14Å; S365-K368 WeakPolarHBondContact O-CB 3.34Å; S365-K368 PolarHBondContact O-N 2.86Å; S365-V369 WeakPolarHBondContact O-CG2 3.49Å; S365-V369 PolarHBondContact O-N 2.9Å
366	L	90.3	Very high	87	Confident	24 Å²	24	64.9 Å²	64.9	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-37.9	178.3	-69.1	168.7	0	0	0	112.5	M1 I362 L363 K368 V369 R370 L427 L430	M1-L366 HydrophobicContact CE-CD1 3.52Å; M1-L366 HydrophobicContact CE-CD2 3.77Å; M1-L366 HydrophobicContact CE-CG 4.31Å; M1-L366 HydrophobicContact SD-CD1 4.48Å; M1-L366 HydrophobicContact SD-CD2 4.06Å; I362-L366 HydrophobicContact CG2-CD1 3.72Å; I362-L366 HydrophobicContact CG2-CG 4.32Å; I362-L366 VanDerWaalsContact O-CG 3.31Å; I362-L366 WeakPolarHBondContact O-CG 3.44Å; I362-L366 PolarHBondContact O-N 2.85Å; L363-L366 PolarHBondContact O-N 3.32Å; L366-K368 VanDerWaalsContact C-N 3.32Å; L366-K368 PolarHBondContact O-N 2.72Å; L366-V369 PolarHBondContact O-N 2.77Å; L366-R370 PolarHBondContact O-N 2.94Å; L366-L427 HydrophobicContact CB-CD2 3.68Å; L366-L427 HydrophobicContact CD1-CD2 4.49Å; L366-L430 HydrophobicContact CD1-CD1 3.73Å
367	R	89.2	Confident	87.8	Confident	115 Å²	115	64.3 Å²	64.3	43%	0.434	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-38.9	172.2	-72.8	170.3	174.3	-175.1	-5.4	111.6	L363 A364 R370 F371 L427 E431	L363-R367 WeakPolarHBondContact O-CB 3.46Å; L363-R367 WeakPolarHBondContact O-CG 3.43Å; L363-R367 PolarHBondContact O-N 2.83Å; A364-R367 PolarHBondContact O-N 3.37Å; R367-R370 PolarHBondContact O-N 3.01Å; R367-F371 PolarHBondContact O-N 3.02Å; R367-L427 HydrophobicContact CG-CD2 4.19Å; R367-E431 IonicContact CZ-OE1 2.68Å; R367-E431 IonicContact NE-OE1 2.76Å; R367-E431 PolarHBondContact NE-OE1 2.73Å; R367-E431 IonicContact NH2-OE1 3.49Å; R367-E431 PolarHBondContact NH2-OE1 3.22Å; R367-E431 IonicContact NH2-OE2 3.06Å; R367-E431 PolarHBondContact NH2-OE2 2.91Å; R367-E431 VanDerWaalsContact NH2-OE2 3.13Å
368	K	90.4	Very high	88	Confident	142 Å²	142	68.5 Å²	68.5	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-39	172.5	-171.8	175	-178.3	176.4	0	112.3	A364 S365 L366 F371 N372	A364-K368 PolarHBondContact O-N 3.48Å; S365-K368 WeakPolarHBondContact O-CB 3.34Å; S365-K368 PolarHBondContact O-N 2.86Å; L366-K368 VanDerWaalsContact C-N 3.32Å; L366-K368 PolarHBondContact O-N 2.72Å; K368-F371 PolarHBondContact O-N 2.96Å; K368-N372 PolarHBondContact O-N 2.93Å
369	V	91.8	Very high	88	Confident	70 Å²	70	68.4 Å²	68.4	42%	0.424	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-45.8	172.6	169.8	0	0	0	0	111	S365 L366 F371 N372 F373	S365-V369 WeakPolarHBondContact O-CG2 3.49Å; S365-V369 PolarHBondContact O-N 2.9Å; L366-V369 PolarHBondContact O-N 2.77Å; V369-F371 PolarHBondContact O-N 2.8Å; V369-N372 PolarHBondContact O-N 3.33Å; V369-F373 WeakPolarHBondContact O-CB 3.49Å; V369-F373 PolarHBondContact O-N 2.95Å
370	R	91.7	Very high	87.6	Confident	26 Å²	26	72 Å²	72	10%	0.098	38%	0.384	C	S	.	.	H	α-helix	trans	-56.8	-48.7	174	176.8	-172.5	167.8	-95.5	1.1	111.7	L366 R367 N372 F373 I374 L420 L423 E424 L427	L366-R370 PolarHBondContact O-N 2.94Å; R367-R370 PolarHBondContact O-N 3.01Å; R370-N372 PolarHBondContact O-N 3.46Å; R370-F373 WeakPolarHBondContact O-CB 3.34Å; R370-F373 PolarHBondContact O-N 3.44Å; R370-I374 HydrophobicContact CG-CD1 4.1Å; R370-I374 WeakPolarHBondContact O-CG1 3.3Å; R370-I374 PolarHBondContact O-N 2.75Å; R370-L420 HydrophobicContact CG-CD1 4.07Å; R370-L423 HydrophobicContact CB-CD2 3.82Å; R370-L423 HydrophobicContact CB-CG 4.4Å; R370-L423 HydrophobicContact CG-CD2 4.36Å; R370-E424 IonicContact CZ-OE1 3.6Å; R370-E424 IonicContact NE-OE1 3.13Å; R370-E424 PolarHBondContact NE-OE1 3Å; R370-E424 IonicContact NH2-OE1 2.78Å; R370-E424 PolarHBondContact NH2-OE1 3.49Å; R370-L427 HydrophobicContact CB-CD1 4.06Å; R370-L427 HydrophobicContact CG-CD1 4.47Å
371	F	89.1	Confident	86.8	Confident	96 Å²	96	71.7 Å²	71.7	42%	0.421	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-47.9	179.1	-179.7	-101.1	0	0	0	111.9	R367 K368 V369 F373 I374 L375 V390	R367-F371 PolarHBondContact O-N 3.02Å; K368-F371 PolarHBondContact O-N 2.96Å; V369-F371 PolarHBondContact O-N 2.8Å; F371-F373 VanDerWaalsContact C-N 3.32Å; F371-F373 PolarHBondContact O-N 2.59Å; F371-I374 PolarHBondContact O-N 3Å; F371-L375 HydrophobicContact CD1-CD1 3.96Å; F371-L375 HydrophobicContact CE1-CD1 3.49Å; F371-L375 VanDerWaalsContact CE1-CD1 3.49Å; F371-L375 HydrophobicContact CE1-CG 4.29Å; F371-L375 HydrophobicContact CZ-CD1 3.99Å; F371-L375 HydrophobicContact CZ-CG 4.46Å; F371-L375 PolarHBondContact O-N 3.02Å; F371-L375 VanDerWaalsContact O-N 3.14Å; F371-V390 HydrophobicContact CE2-CG2 4.34Å
372	N	91.3	Very high	85.6	Confident	69 Å²	69	73.5 Å²	73.5	37%	0.369	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-34.6	176.5	-70.3	-2.9	0	0	0	112.6	K368 V369 R370 L375 L376	K368-N372 PolarHBondContact O-N 2.93Å; V369-N372 PolarHBondContact O-N 3.33Å; R370-N372 PolarHBondContact O-N 3.46Å; N372-L375 PolarHBondContact O-N 3.22Å; N372-L376 WeakPolarHBondContact O-CB 3.46Å; N372-L376 VanDerWaalsContact O-CG 3.26Å; N372-L376 WeakPolarHBondContact O-CG 3.34Å; N372-L376 PolarHBondContact O-N 3.22Å
373	F	91.5	Very high	84.2	Confident	49 Å²	49	76.1 Å²	76.1	22%	0.215	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-43	176.4	-174.5	-83.6	0	0	0	111.8	V369 R370 F371 L376 T377 A416 T419 L420	V369-F373 WeakPolarHBondContact O-CB 3.49Å; V369-F373 PolarHBondContact O-N 2.95Å; R370-F373 WeakPolarHBondContact O-CB 3.34Å; R370-F373 PolarHBondContact O-N 3.44Å; F371-F373 VanDerWaalsContact C-N 3.32Å; F371-F373 PolarHBondContact O-N 2.59Å; F373-L376 PolarHBondContact O-N 2.99Å; F373-T377 HydrophobicContact CD1-CG2 4.14Å; F373-T377 HydrophobicContact CE1-CG2 3.77Å; F373-T377 HydrophobicContact CE2-CG2 4.2Å; F373-T377 HydrophobicContact CG-CG2 4.5Å; F373-T377 HydrophobicContact CZ-CG2 3.81Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 WeakPolarHBondContact O-CG2 3.18Å; F373-T377 PolarHBondContact O-N 3.42Å; F373-T377 PolarHBondContact O-OG1 2.72Å; F373-A416 HydrophobicContact CE1-CB 4.44Å; F373-A416 WeakPolarHBondContact CE1-O 3.43Å; F373-A416 HydrophobicContact CZ-CB 4.27Å; F373-T419 HydrophobicContact CE2-CG2 3.91Å; F373-T419 HydrophobicContact CZ-CG2 3.83Å; F373-L420 HydrophobicContact CD1-CB 4.3Å; F373-L420 HydrophobicContact CD1-CD1 4.19Å; F373-L420 HydrophobicContact CE1-CB 3.94Å
374	I	89.5	Confident	82.3	Confident	27 Å²	27	83.7 Å²	83.7	14%	0.138	44%	0.44	C	S	.	.	H	α-helix	trans	-60.3	-46.6	174.6	-67.8	165.6	0	0	0	110.2	R370 F371 L376 T377 N378 L420	R370-I374 HydrophobicContact CG-CD1 4.1Å; R370-I374 WeakPolarHBondContact O-CG1 3.3Å; R370-I374 PolarHBondContact O-N 2.75Å; F371-I374 PolarHBondContact O-N 3Å; I374-L376 PolarHBondContact O-N 2.83Å; I374-T377 PolarHBondContact O-N 3.41Å; I374-N378 WeakPolarHBondContact O-CA 3.46Å; I374-N378 PolarHBondContact O-N 3.2Å; I374-L420 HydrophobicContact CD1-CD1 4.24Å; I374-L420 HydrophobicContact CG1-CD1 3.91Å; I374-L420 HydrophobicContact CG1-CD2 4.01Å
375	L	88	Confident	80.6	Confident	110 Å²	110	82.5 Å²	82.5	58%	0.576	43%	0.428	S	S	*	.	H	α-helix	trans	-60.7	-41.9	176.8	-69.4	177.7	0	0	0	113.2	F371 N372	F371-L375 HydrophobicContact CD1-CD1 3.96Å; F371-L375 HydrophobicContact CE1-CD1 3.49Å; F371-L375 VanDerWaalsContact CE1-CD1 3.49Å; F371-L375 HydrophobicContact CE1-CG 4.29Å; F371-L375 HydrophobicContact CZ-CD1 3.99Å; F371-L375 HydrophobicContact CZ-CG 4.46Å; F371-L375 PolarHBondContact O-N 3.02Å; F371-L375 VanDerWaalsContact O-N 3.14Å; N372-L375 PolarHBondContact O-N 3.22Å
376	L	89.3	Confident	78.9	Confident	152 Å²	152	88.1 Å²	88.1	80%	0.796	44%	0.439	S	S	*	.	H	α-helix	trans	-74.8	-30	-177.4	-73.5	169.2	0	0	0	113.7	N372 F373 I374	N372-L376 WeakPolarHBondContact O-CB 3.46Å; N372-L376 VanDerWaalsContact O-CG 3.26Å; N372-L376 WeakPolarHBondContact O-CG 3.34Å; N372-L376 PolarHBondContact O-N 3.22Å; F373-L376 PolarHBondContact O-N 2.99Å; I374-L376 PolarHBondContact O-N 2.83Å
377	T	88.2	Confident	77.1	Confident	39 Å²	39	89.8 Å²	89.8	24%	0.239	45%	0.445	C	S	.	.	H	α-helix	trans	-100.1	-19.4	-175.6	58.8	0	0	0	0	113.6	F373 I374 V379 A416	F373-T377 HydrophobicContact CD1-CG2 4.14Å; F373-T377 HydrophobicContact CE1-CG2 3.77Å; F373-T377 HydrophobicContact CE2-CG2 4.2Å; F373-T377 HydrophobicContact CG-CG2 4.5Å; F373-T377 HydrophobicContact CZ-CG2 3.81Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 WeakPolarHBondContact O-CG2 3.18Å; F373-T377 PolarHBondContact O-N 3.42Å; F373-T377 PolarHBondContact O-OG1 2.72Å; I374-T377 PolarHBondContact O-N 3.41Å; T377-V379 PolarHBondContact O-N 3.22Å; T377-A416 HydrophobicContact CG2-CB 3.83Å
378	N	84.6	Confident	74.7	Confident	138 Å²	138	86.7 Å²	86.7	74%	0.738	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.4	-170.7	-161.1	19.9	0	0	0	112.5	I374	I374-N378 WeakPolarHBondContact O-CA 3.46Å; I374-N378 PolarHBondContact O-N 3.2Å
379	V	83.5	Confident	71.9	Confident	17 Å²	17	84.9 Å²	84.9	10%	0.103	46%	0.46	C	S	.	.			trans	-105.6	125.2	173.9	178.8	0	0	0	0	108.9	T377 A416 L420	T377-V379 PolarHBondContact O-N 3.22Å; V379-A416 HydrophobicContact CG2-CB 3.92Å; V379-L420 HydrophobicContact CG1-CD2 4.46Å
380	T	74.8	Confident	69.5	Low	111 Å²	111	86 Å²	86	68%	0.681	47%	0.467	S	S	*	.			trans	-86.5	141	174.3	51.7	0	0	0	0	110.3	T382	T380-T382 PolarHBondContact O-N 3.23Å
381	S	67.4	Low	66.7	Low	32 Å²	32	93 Å²	93	22%	0.224	50%	0.501	C	S	.	.			trans	-59.8	138.4	171.1	-179.6	0	0	0	0	110.9	R383 E424	S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact OG-N 2.71Å; S381-R383 PolarHBondContact OG-O 2.8Å; S381-E424 WeakPolarHBondContact CB-OE1 3.36Å; S381-E424 VanDerWaalsContact CB-OE2 3.3Å; S381-E424 WeakPolarHBondContact CB-OE2 3.35Å; S381-E424 PolarHBondContact OG-OE2 3.15Å
382	T	60.5	Low	64	Low	95 Å²	95	94 Å²	94	58%	0.583	52%	0.517	S	S	*	.	S	Bend	trans	-80.9	-5.8	175.8	52.9	0	0	0	0	112.8	T380 E421	T380-T382 PolarHBondContact O-N 3.23Å; T382-E421 PolarHBondContact OG1-OE1 3Å
383	R	55.5	Low	61.4	Low	135 Å²	135	98.5 Å²	98.5	51%	0.509	54%	0.539	S	S	.	.	S	Bend	trans	-114.4	139.5	-172.4	-53.7	177.8	82.9	149.1	0.7	109.8	S381 S385	S381-R383 VanDerWaalsContact C-N 3.26Å; S381-R383 PolarHBondContact OG-N 2.71Å; S381-R383 PolarHBondContact OG-O 2.8Å; R383-S385 PolarHBondContact O-N 3.22Å
384	D	47.2	Very low	58.5	Low	179 Å²	179	105 Å²	105	96%	0.957	57%	0.57	S	S	*	*			trans	-67.3	67.5	167.3	-74.7	-46.2	0	0	0	110.7
385	S	49.7	Very low	55.8	Low	36 Å²	36	108.9 Å²	108.9	25%	0.252	60%	0.6	S	S	.	*			trans	-75.2	145	177.2	80.3	0	0	0	0	110.2	R383 F387	R383-S385 PolarHBondContact O-N 3.22Å; S385-F387 PolarHBondContact O-N 3.03Å
386	R	52.9	Low	53.1	Low	188 Å²	188	110.1 Å²	110.1	71%	0.709	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-0	177.3	-69.4	178.3	-78	170.4	-2.9	114.2	E428	R386-E428 IonicContact NH2-OE1 2.98Å
387	F	53.4	Low	50.4	Low	60 Å²	60	111.4 Å²	111.4	26%	0.263	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	4.8	-174.5	-56.7	-67.3	0	0	0	114.8	S385 E431	S385-F387 PolarHBondContact O-N 3.03Å; F387-E431 WeakPolarHBondContact CE1-OE1 3.46Å
388	G	38.5	Very low	47.7	Very low	49 Å²	49	117.6 Å²	117.6	51%	0.505	65%	0.646	S	S	.	*			trans	82.4	141.1	169.1	0	0	0	0	0	115
389	A	32.6	Very low	45.1	Very low	104 Å²	104	114.5 Å²	114.5	86%	0.86	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.6	171.1	0	0	0	0	0	110.1
390	V	40.6	Very low	42.5	Very low	95 Å²	95	121.5 Å²	121.5	58%	0.576	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-75.8	124.7	167.7	179.9	0	0	0	0	107.5	F371	F371-V390 HydrophobicContact CE2-CG2 4.34Å
391	Q	33.1	Very low	40.6	Very low	171 Å²	171	122.1 Å²	122.1	80%	0.799	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-63.2	139.2	174.5	-72.8	-172.4	-6	0	0	110.1	I393	Q391-I393 PolarHBondContact O-N 3.02Å
392	P	32.5	Very low	38.9	Very low	118 Å²	118	126.1 Å²	126.1	77%	0.766	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.8	170.9	-14.6	28.3	0	0	0	109.3	Q394	P392-Q394 PolarHBondContact O-N 3.19Å; P392-Q394 VanDerWaalsContact O-N 3.14Å
393	I	35.4	Very low	37.4	Very low	163 Å²	163	127 Å²	127	84%	0.836	73%	0.73	S	S	*	*			trans	-66.7	114.2	167.8	-64.3	174.7	0	0	0	107	Q391 S395	Q391-I393 PolarHBondContact O-N 3.02Å; I393-S395 PolarHBondContact O-N 3.03Å
394	Q	30.9	Very low	36.1	Very low	185 Å²	185	129 Å²	129	86%	0.864	75%	0.745	S	S	*	*			trans	-68.8	99.6	171.5	-73.3	176.9	-34.9	0	0	109.1	P392	P392-Q394 PolarHBondContact O-N 3.19Å; P392-Q394 VanDerWaalsContact O-N 3.14Å
395	S	32.4	Very low	35.5	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-80.6	116.6	159.5	55.2	0	0	0	0	108.5	I393	I393-S395 PolarHBondContact O-N 3.03Å
396	T	32.7	Very low	34.6	Very low	136 Å²	136	130.3 Å²	130.3	83%	0.834	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-60	150.8	175.3	43.7	0	0	0	0	112.3
397	E	31	Very low	33.5	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65	143.5	-179.7	-58.1	171.3	136.7	0	0	112.1
398	D	31.4	Very low	33.1	Very low	169 Å²	169	129.3 Å²	129.3	90%	0.904	79%	0.79	S	S	*	*				179.4	147.6	128.8	-97.8	-26.3	0	0	0	112.1
399	G	30.4	Very low	33.6	Very low	73 Å²	73	129.3 Å²	129.3	75%	0.753	79%	0.79	S	S	*	*			trans	99.5	87.1	154.7	0	0	0	0	0	118.8
400	N	30	Very low	34.8	Very low	164 Å²	164	126.4 Å²	126.4	88%	0.877	77%	0.771	S	S	*	*			trans	-17.2	127.6	158	-72.7	-40.4	0	0	0	118.4
401	S	35.2	Very low	36.1	Very low	124 Å²	124	127.6 Å²	127.6	87%	0.867	77%	0.77	S	S	*	*			trans	-164.2	116.7	130.8	-81.7	0	0	0	0	110.8
402	S	30.7	Very low	38.1	Very low	116 Å²	116	124.7 Å²	124.7	81%	0.811	76%	0.76	S	S	*	*			trans	-81.2	136.7	171.6	55.5	0	0	0	0	110.7
403	S	29.2	Very low	40.3	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	75%	0.75	S	S	*	*				158.8	133.3	120.3	57.3	0	0	0	0	114.8
404	H	28.7	Very low	42.4	Very low	177 Å²	177	121.4 Å²	121.4	82%	0.819	73%	0.731	S	S	*	*			trans	70.2	64	132.8	-152.1	-64.4	0	0	0	121.6
405	L	34.8	Very low	45	Very low	182 Å²	182	115.5 Å²	115.5	95%	0.953	71%	0.707	S	S	*	*			trans	-151.3	135.3	141.1	-92	118.7	0	0	0	108.9
406	G	29	Very low	47.6	Very low	60 Å²	60	110.9 Å²	110.9	62%	0.619	68%	0.676	S	S	*	*			cis	150.1	64.4	4.7	0	0	0	0	0	112.1	S408	G406-S408 VanDerWaalsContact C-N 3.25Å; G406-S408 PolarHBondContact O-N 3.25Å
407	C	31.3	Very low	50.1	Low	148 Å²	148	105.7 Å²	105.7	100%	1	65%	0.645	S	S	*	*	S	Bend	trans	50.5	-11.2	167	-105.3	0	0	0	0	122.5
408	S	45.2	Very low	52.9	Low	79 Å²	79	102.2 Å²	102.2	55%	0.552	63%	0.629	S	S	*	*			trans	-90.5	-27.6	-174.6	-170.4	0	0	0	0	114.5	G406 G410	G406-S408 VanDerWaalsContact C-N 3.25Å; G406-S408 PolarHBondContact O-N 3.25Å; S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.12Å
409	G	47.8	Very low	55.7	Low	49 Å²	49	96.9 Å²	96.9	51%	0.505	60%	0.602	S	S	.	*	H	α-helix	trans	-67	-14.7	-172.8	0	0	0	0	0	116.4	K413	G409-K413 WeakPolarHBondContact O-CG 3.45Å; G409-K413 PolarHBondContact O-N 3.26Å
410	G	58.7	Low	58.5	Low	44 Å²	44	93.4 Å²	93.4	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-71	-49.8	179.5	0	0	0	0	0	112.8	S408 N412 K413 I414	S408-G410 PolarHBondContact O-N 3.31Å; S408-G410 VanDerWaalsContact O-N 3.12Å; G410-N412 PolarHBondContact O-N 3.49Å; G410-K413 PolarHBondContact O-N 2.89Å; G410-I414 WeakPolarHBondContact O-CG1 3.15Å; G410-I414 PolarHBondContact O-N 3.37Å; G410-I414 VanDerWaalsContact O-N 3.08Å
411	Q	67.2	Low	61.3	Low	120 Å²	120	88.8 Å²	88.8	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-63.6	-42.5	-177.8	-168.4	63.6	30.2	0	0	111.5	K413 I414 T415	Q411-K413 VanDerWaalsContact C-N 3.3Å; Q411-K413 PolarHBondContact O-N 3Å; Q411-I414 PolarHBondContact O-N 3.26Å; Q411-T415 PolarHBondContact O-N 3.11Å; Q411-T415 PolarHBondContact O-OG1 3Å
412	N	74.9	Confident	63.8	Low	109 Å²	109	85.7 Å²	85.7	58%	0.583	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-35.8	178	-68.4	-4.6	0	0	0	112.3	G410 A416	G410-N412 PolarHBondContact O-N 3.49Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 3.08Å
413	K	78.5	Confident	66.6	Low	127 Å²	127	81.6 Å²	81.6	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-70	-38.8	174.4	-77.7	-173.6	175	-167.2	0	112.7	G409 G410 Q411 A416 S417	G409-K413 WeakPolarHBondContact O-CG 3.45Å; G409-K413 PolarHBondContact O-N 3.26Å; G410-K413 PolarHBondContact O-N 2.89Å; Q411-K413 VanDerWaalsContact C-N 3.3Å; Q411-K413 PolarHBondContact O-N 3Å; K413-A416 PolarHBondContact O-N 3.46Å; K413-S417 WeakPolarHBondContact O-CB 3.41Å; K413-S417 PolarHBondContact O-N 3.21Å
414	I	80.8	Confident	69.5	Low	86 Å²	86	76.7 Å²	76.7	44%	0.441	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-54	175.1	-66.3	165.2	0	0	0	109.8	G410 Q411 A416 S417 E418	G410-I414 WeakPolarHBondContact O-CG1 3.15Å; G410-I414 PolarHBondContact O-N 3.37Å; G410-I414 VanDerWaalsContact O-N 3.08Å; Q411-I414 PolarHBondContact O-N 3.26Å; I414-A416 VanDerWaalsContact C-N 3.29Å; I414-A416 PolarHBondContact O-N 3.09Å; I414-S417 WeakPolarHBondContact O-CB 3.48Å; I414-S417 PolarHBondContact O-N 3.04Å; I414-E418 HydrophobicContact CG2-CG 4.43Å; I414-E418 WeakPolarHBondContact O-CG 3.18Å; I414-E418 PolarHBondContact O-N 2.98Å
415	T	84.7	Confident	72.3	Confident	60 Å²	60	70.7 Å²	70.7	37%	0.368	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-33.5	179.5	-59.5	0	0	0	0	112.5	Q411 T419	Q411-T415 PolarHBondContact O-N 3.11Å; Q411-T415 PolarHBondContact O-OG1 3Å; T415-T419 VanDerWaalsContact O-CB 3.27Å; T415-T419 WeakPolarHBondContact O-CB 3.34Å; T415-T419 PolarHBondContact O-N 3.12Å; T415-T419 PolarHBondContact O-OG1 3.08Å
416	A	86.9	Confident	74.8	Confident	13 Å²	13	62.3 Å²	62.3	11%	0.107	37%	0.372	C	S	.	.	H	α-helix	trans	-66	-40.5	171.9	0	0	0	0	0	112.6	F373 T377 V379 N412 K413 I414 T419 L420	F373-A416 HydrophobicContact CE1-CB 4.44Å; F373-A416 WeakPolarHBondContact CE1-O 3.43Å; F373-A416 HydrophobicContact CZ-CB 4.27Å; T377-A416 HydrophobicContact CG2-CB 3.83Å; V379-A416 HydrophobicContact CG2-CB 3.92Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 3.08Å; K413-A416 PolarHBondContact O-N 3.46Å; I414-A416 VanDerWaalsContact C-N 3.29Å; I414-A416 PolarHBondContact O-N 3.09Å; A416-T419 PolarHBondContact O-N 3.44Å; A416-L420 WeakPolarHBondContact O-CB 3.46Å; A416-L420 PolarHBondContact O-N 3.1Å
417	S	86.4	Confident	77.6	Confident	27 Å²	27	59.5 Å²	59.5	19%	0.189	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-48.6	175	-161.4	0	0	0	0	111.8	K413 I414 T419 L420 E421	K413-S417 WeakPolarHBondContact O-CB 3.41Å; K413-S417 PolarHBondContact O-N 3.21Å; I414-S417 WeakPolarHBondContact O-CB 3.48Å; I414-S417 PolarHBondContact O-N 3.04Å; S417-T419 VanDerWaalsContact C-N 3.32Å; S417-T419 PolarHBondContact O-N 3.34Å; S417-L420 PolarHBondContact O-N 3.11Å; S417-E421 WeakPolarHBondContact O-CG 3.45Å; S417-E421 PolarHBondContact O-N 3.3Å
418	E	88	Confident	80.1	Confident	107 Å²	107	56.2 Å²	56.2	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-56	-47.9	174.8	-68.1	170.6	158	0	0	110.5	I414 L420 E421 E422	I414-E418 HydrophobicContact CG2-CG 4.43Å; I414-E418 WeakPolarHBondContact O-CG 3.18Å; I414-E418 PolarHBondContact O-N 2.98Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 2.67Å; E418-E421 PolarHBondContact O-N 3.49Å; E418-E422 WeakPolarHBondContact O-CG 3.22Å; E418-E422 PolarHBondContact O-N 2.68Å
419	T	90.1	Very high	81.8	Confident	56 Å²	56	57.7 Å²	57.7	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-34.6	179.2	-56.1	0	0	0	0	112.9	F373 T415 A416 S417 L423	F373-T419 HydrophobicContact CE2-CG2 3.91Å; F373-T419 HydrophobicContact CZ-CG2 3.83Å; T415-T419 VanDerWaalsContact O-CB 3.27Å; T415-T419 WeakPolarHBondContact O-CB 3.34Å; T415-T419 PolarHBondContact O-N 3.12Å; T415-T419 PolarHBondContact O-OG1 3.08Å; A416-T419 PolarHBondContact O-N 3.44Å; S417-T419 VanDerWaalsContact C-N 3.32Å; S417-T419 PolarHBondContact O-N 3.34Å; T419-L423 WeakPolarHBondContact O-CB 3.27Å; T419-L423 PolarHBondContact O-N 2.92Å
420	L	90.9	Very high	83.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-44.2	174.3	-179.2	59.5	0	0	0	111.1	R370 F373 I374 V379 A416 S417 E418 E422 L423 E424	R370-L420 HydrophobicContact CG-CD1 4.07Å; F373-L420 HydrophobicContact CD1-CB 4.3Å; F373-L420 HydrophobicContact CD1-CD1 4.19Å; F373-L420 HydrophobicContact CE1-CB 3.94Å; I374-L420 HydrophobicContact CD1-CD1 4.24Å; I374-L420 HydrophobicContact CG1-CD1 3.91Å; I374-L420 HydrophobicContact CG1-CD2 4.01Å; V379-L420 HydrophobicContact CG1-CD2 4.46Å; A416-L420 WeakPolarHBondContact O-CB 3.46Å; A416-L420 PolarHBondContact O-N 3.1Å; S417-L420 PolarHBondContact O-N 3.11Å; E418-L420 VanDerWaalsContact C-N 3.33Å; E418-L420 PolarHBondContact O-N 2.67Å; L420-E422 VanDerWaalsContact C-N 3.34Å; L420-E422 PolarHBondContact O-N 3.36Å; L420-L423 PolarHBondContact O-N 3.39Å; L420-E424 HydrophobicContact CD1-CG 4.15Å; L420-E424 HydrophobicContact CG-CG 4.47Å; L420-E424 WeakPolarHBondContact O-CB 3.46Å; L420-E424 WeakPolarHBondContact O-CG 3.24Å; L420-E424 PolarHBondContact O-N 2.93Å
421	E	88.1	Confident	84.2	Confident	67 Å²	67	57 Å²	57	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-39.7	176.3	-71.8	-180	-163.7	0	0	111.8	T382 S417 E418 W425	T382-E421 PolarHBondContact OG1-OE1 3Å; S417-E421 WeakPolarHBondContact O-CG 3.45Å; S417-E421 PolarHBondContact O-N 3.3Å; E418-E421 PolarHBondContact O-N 3.49Å; E421-W425 VanDerWaalsContact O-CB 3.23Å; E421-W425 WeakPolarHBondContact O-CB 3.48Å; E421-W425 PolarHBondContact O-N 2.69Å
422	E	88.4	Confident	84.5	Confident	59 Å²	59	55 Å²	55	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-46.3	171.2	-68.3	-59.7	149.1	0	0	112.3	R9 E418 L420 W425 C426	R9-E422 IonicContact CZ-OE1 3.65Å; R9-E422 IonicContact CZ-OE2 3.95Å; R9-E422 IonicContact NE-OE2 2.73Å; R9-E422 PolarHBondContact NE-OE2 3.34Å; R9-E422 IonicContact NH1-OE1 2.68Å; R9-E422 PolarHBondContact NH1-OE1 3.29Å; R9-E422 IonicContact NH1-OE2 3.24Å; R9-E422 PolarHBondContact NH1-OE2 2.85Å; R9-E422 IonicContact NH2-OE1 3.22Å; R9-E422 PolarHBondContact NH2-OE1 2.99Å; R9-E422 IonicContact NH2-OE2 3.69Å; R9-E422 PolarHBondContact NH2-OE2 3.43Å; E418-E422 WeakPolarHBondContact O-CG 3.22Å; E418-E422 PolarHBondContact O-N 2.68Å; L420-E422 VanDerWaalsContact C-N 3.34Å; L420-E422 PolarHBondContact O-N 3.36Å; E422-W425 PolarHBondContact O-N 3.49Å; E422-C426 WeakPolarHBondContact O-CB 3.48Å; E422-C426 PolarHBondContact O-N 3.1Å; E422-C426 PolarHBondContact O-SG 3.08Å
423	L	89.9	Confident	84.2	Confident	31 Å²	31	52.3 Å²	52.3	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-40.7	-178.4	178.7	59.9	0	0	0	111.9	R370 T419 L420 C426 L427	R370-L423 HydrophobicContact CB-CD2 3.82Å; R370-L423 HydrophobicContact CB-CG 4.4Å; R370-L423 HydrophobicContact CG-CD2 4.36Å; T419-L423 WeakPolarHBondContact O-CB 3.27Å; T419-L423 PolarHBondContact O-N 2.92Å; L420-L423 PolarHBondContact O-N 3.39Å; L423-C426 PolarHBondContact O-N 3.29Å; L423-L427 HydrophobicContact CG-CD1 4.41Å; L423-L427 WeakPolarHBondContact O-CB 3.2Å; L423-L427 WeakPolarHBondContact O-CG 3.45Å; L423-L427 PolarHBondContact O-N 3.48Å
424	E	90	Very high	83	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-43.3	175.6	-72.8	-175.3	161.2	0	0	111.8	R370 S381 L420 C426 L427 E428	R370-E424 IonicContact CZ-OE1 3.6Å; R370-E424 IonicContact NE-OE1 3.13Å; R370-E424 PolarHBondContact NE-OE1 3Å; R370-E424 IonicContact NH2-OE1 2.78Å; R370-E424 PolarHBondContact NH2-OE1 3.49Å; S381-E424 WeakPolarHBondContact CB-OE1 3.36Å; S381-E424 VanDerWaalsContact CB-OE2 3.3Å; S381-E424 WeakPolarHBondContact CB-OE2 3.35Å; S381-E424 PolarHBondContact OG-OE2 3.15Å; L420-E424 HydrophobicContact CD1-CG 4.15Å; L420-E424 HydrophobicContact CG-CG 4.47Å; L420-E424 WeakPolarHBondContact O-CB 3.46Å; L420-E424 WeakPolarHBondContact O-CG 3.24Å; L420-E424 PolarHBondContact O-N 2.93Å; E424-C426 VanDerWaalsContact C-N 3.33Å; E424-C426 PolarHBondContact O-N 3.47Å; E424-L427 PolarHBondContact O-N 3.07Å; E424-E428 WeakPolarHBondContact O-CB 3.38Å; E424-E428 PolarHBondContact O-N 2.89Å
425	W	87.1	Confident	81.8	Confident	51 Å²	51	52.6 Å²	52.6	19%	0.193	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-41	172.7	178	84.9	0	0	0	111.8	R9 E12 E421 E422 R429	R9-W425 HydrophobicContact CG-CH2 4.32Å; R9-W425 HydrophobicContact CG-CZ3 4.42Å; E12-W425 VanDerWaalsContact OE2-CZ2 3.28Å; E12-W425 WeakPolarHBondContact OE2-CZ2 3.29Å; E421-W425 VanDerWaalsContact O-CB 3.23Å; E421-W425 WeakPolarHBondContact O-CB 3.48Å; E421-W425 PolarHBondContact O-N 2.69Å; E422-W425 PolarHBondContact O-N 3.49Å; W425-R429 WeakPolarHBondContact O-CB 3.36Å; W425-R429 PolarHBondContact O-N 3.17Å
426	C	87	Confident	80.6	Confident	7 Å²	7	58.2 Å²	58.2	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-41.2	175.3	-72.2	0	0	0	0	112.6	E422 L423 E424 R429 L430	E422-C426 WeakPolarHBondContact O-CB 3.48Å; E422-C426 PolarHBondContact O-N 3.1Å; E422-C426 PolarHBondContact O-SG 3.08Å; L423-C426 PolarHBondContact O-N 3.29Å; E424-C426 VanDerWaalsContact C-N 3.33Å; E424-C426 PolarHBondContact O-N 3.47Å; C426-R429 PolarHBondContact O-N 3Å; C426-L430 WeakPolarHBondContact O-CB 3.42Å; C426-L430 VanDerWaalsContact O-CG 3.31Å; C426-L430 WeakPolarHBondContact O-CG 3.38Å; C426-L430 PolarHBondContact O-N 3.26Å
427	L	86.7	Confident	79.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-48.5	176.1	-83	168.5	0	0	0	111.4	L363 L366 R367 R370 L423 E424 R429 L430 E431	L363-L427 HydrophobicContact CD2-CD2 4.35Å; L366-L427 HydrophobicContact CB-CD2 3.68Å; L366-L427 HydrophobicContact CD1-CD2 4.49Å; R367-L427 HydrophobicContact CG-CD2 4.19Å; R370-L427 HydrophobicContact CB-CD1 4.06Å; R370-L427 HydrophobicContact CG-CD1 4.47Å; L423-L427 HydrophobicContact CG-CD1 4.41Å; L423-L427 WeakPolarHBondContact O-CB 3.2Å; L423-L427 WeakPolarHBondContact O-CG 3.45Å; L423-L427 PolarHBondContact O-N 3.48Å; E424-L427 PolarHBondContact O-N 3.07Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.12Å; L427-L430 PolarHBondContact O-N 3.46Å; L427-E431 WeakPolarHBondContact O-CG 3.24Å; L427-E431 PolarHBondContact O-N 3.46Å
428	E	84.8	Confident	79	Confident	79 Å²	79	67.9 Å²	67.9	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-40.3	174.8	176	165.8	-133.3	0	0	111.3	R386 E424 N432	R386-E428 IonicContact NH2-OE1 2.98Å; E424-E428 WeakPolarHBondContact O-CB 3.38Å; E424-E428 PolarHBondContact O-N 2.89Å; E428-N432 VanDerWaalsContact CG-ND2 3.26Å; E428-N432 WeakPolarHBondContact CG-ND2 3.49Å; E428-N432 VanDerWaalsContact O-CB 3.24Å; E428-N432 WeakPolarHBondContact O-CB 3.34Å; E428-N432 VanDerWaalsContact O-CG 3.23Å; E428-N432 PolarHBondContact O-N 3.18Å; E428-N432 PolarHBondContact O-ND2 3.34Å; E428-N432 VanDerWaalsContact O-ND2 3.12Å
429	R	80.7	Confident	78.3	Confident	109 Å²	109	64.3 Å²	64.3	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-51.7	175.8	-162.6	69.6	-179.9	129.3	1.7	110.5	W425 C426 L427 E431 N432 I433	W425-R429 WeakPolarHBondContact O-CB 3.36Å; W425-R429 PolarHBondContact O-N 3.17Å; C426-R429 PolarHBondContact O-N 3Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.12Å; R429-E431 VanDerWaalsContact C-N 3.3Å; R429-E431 PolarHBondContact O-N 3.47Å; R429-N432 CarbonylContact O-C 3.58Å; R429-N432 PolarHBondContact O-N 2.92Å; R429-I433 HydrophobicContact CG-CD1 4.4Å; R429-I433 HydrophobicContact CG-CG1 4.43Å; R429-I433 VanDerWaalsContact O-CG1 3.29Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 3.26Å
430	L	80.7	Confident	77.7	Confident	20 Å²	20	65 Å²	65	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-55.1	-43.8	178.6	-75.4	166	0	0	0	112.5	M1 W4 F359 L363 L366 C426 L427 N432	M1-L430 HydrophobicContact CE-CD1 3.98Å; W4-L430 HydrophobicContact CH2-CD2 3.64Å; W4-L430 HydrophobicContact CH2-CG 4.27Å; W4-L430 HydrophobicContact CZ3-CD2 3.73Å; W4-L430 HydrophobicContact CZ3-CG 4.19Å; F359-L430 HydrophobicContact CE2-CD2 4.35Å; L363-L430 HydrophobicContact CD2-CB 3.92Å; L363-L430 HydrophobicContact CD2-CD1 4.48Å; L366-L430 HydrophobicContact CD1-CD1 3.73Å; C426-L430 WeakPolarHBondContact O-CB 3.42Å; C426-L430 VanDerWaalsContact O-CG 3.31Å; C426-L430 WeakPolarHBondContact O-CG 3.38Å; C426-L430 PolarHBondContact O-N 3.26Å; L427-L430 PolarHBondContact O-N 3.46Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.33Å
431	E	76.9	Confident	77	Confident	58 Å²	58	69 Å²	69	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-30.2	177.9	-69	179.1	-161.3	0	0	113.2	L363 R367 F387 L427 R429	L363-E431 HydrophobicContact CD1-CG 4.21Å; L363-E431 HydrophobicContact CD2-CG 4.03Å; R367-E431 IonicContact CZ-OE1 2.68Å; R367-E431 IonicContact NE-OE1 2.76Å; R367-E431 PolarHBondContact NE-OE1 2.73Å; R367-E431 IonicContact NH2-OE1 3.49Å; R367-E431 PolarHBondContact NH2-OE1 3.22Å; R367-E431 IonicContact NH2-OE2 3.06Å; R367-E431 PolarHBondContact NH2-OE2 2.91Å; R367-E431 VanDerWaalsContact NH2-OE2 3.13Å; F387-E431 WeakPolarHBondContact CE1-OE1 3.46Å; L427-E431 WeakPolarHBondContact O-CG 3.24Å; L427-E431 PolarHBondContact O-N 3.46Å; R429-E431 VanDerWaalsContact C-N 3.3Å; R429-E431 PolarHBondContact O-N 3.47Å
432	N	74.1	Confident	76.5	Confident	79 Å²	79	69.5 Å²	69.5	42%	0.422	34%	0.338	S	S	.	.	H	α-helix	trans	-92.2	-7.5	-179.1	-72.2	-30.6	0	0	0	114.8	E428 R429 L430 Q434	E428-N432 VanDerWaalsContact CG-ND2 3.26Å; E428-N432 WeakPolarHBondContact CG-ND2 3.49Å; E428-N432 VanDerWaalsContact O-CB 3.24Å; E428-N432 WeakPolarHBondContact O-CB 3.34Å; E428-N432 VanDerWaalsContact O-CG 3.23Å; E428-N432 PolarHBondContact O-N 3.18Å; E428-N432 PolarHBondContact O-ND2 3.34Å; E428-N432 VanDerWaalsContact O-ND2 3.12Å; R429-N432 CarbonylContact O-C 3.58Å; R429-N432 PolarHBondContact O-N 2.92Å; L430-N432 VanDerWaalsContact C-N 3.33Å; L430-N432 PolarHBondContact O-N 3.33Å; N432-Q434 PolarHBondContact O-N 3.48Å; N432-Q434 VanDerWaalsContact O-N 3.09Å
433	I	68.3	Low	76.2	Confident	53 Å²	53	67.1 Å²	67.1	27%	0.272	33%	0.329	S	S	.	.	S	Bend	trans	-73	108.8	172.9	-57.7	159.4	0	0	0	106.9	W4 R429 T435	W4-I433 HydrophobicContact CH2-CD1 3.51Å; W4-I433 HydrophobicContact CZ2-CD1 3.53Å; R429-I433 HydrophobicContact CG-CD1 4.4Å; R429-I433 HydrophobicContact CG-CG1 4.43Å; R429-I433 VanDerWaalsContact O-CG1 3.29Å; R429-I433 WeakPolarHBondContact O-CG1 3.48Å; R429-I433 PolarHBondContact O-N 3.26Å; I433-T435 HydrophobicContact CB-CG2 3.92Å; I433-T435 HydrophobicContact CG2-CG2 3.34Å; I433-T435 WeakPolarHBondContact O-CB 3.34Å; I433-T435 VanDerWaalsContact O-CG2 3.3Å; I433-T435 WeakPolarHBondContact O-CG2 3.26Å; I433-T435 PolarHBondContact O-N 2.77Å; I433-T435 PolarHBondContact O-OG1 3.02Å
434	Q	51.7	Low	75.9	Confident	190 Å²	190	67.7 Å²	67.7	89%	0.888	34%	0.335	S	S	*	.			trans	-64.3	99.8	176.4	-71.4	174.1	-38.8	0	0	109.5	N432	N432-Q434 PolarHBondContact O-N 3.48Å; N432-Q434 VanDerWaalsContact O-N 3.09Å
435	T	55.6	Low	75.4	Confident	28 Å²	28	69 Å²	69	17%	0.172	35%	0.345	C	S	.	.			trans	-128.9	27.3	-163	41.6	0	0	0	0	113.2	I433 R437 S438 V439	I433-T435 HydrophobicContact CB-CG2 3.92Å; I433-T435 HydrophobicContact CG2-CG2 3.34Å; I433-T435 WeakPolarHBondContact O-CB 3.34Å; I433-T435 VanDerWaalsContact O-CG2 3.3Å; I433-T435 WeakPolarHBondContact O-CG2 3.26Å; I433-T435 PolarHBondContact O-N 2.77Å; I433-T435 PolarHBondContact O-OG1 3.02Å; T435-R437 CarbonylContact O-C 3.57Å; T435-R437 PolarHBondContact O-N 3.48Å; T435-S438 VanDerWaalsContact CB-OG 3.29Å; T435-S438 WeakPolarHBondContact CB-OG 3.44Å; T435-S438 WeakPolarHBondContact CG2-OG 3.24Å; T435-S438 PolarHBondContact O-N 3.31Å; T435-S438 VanDerWaalsContact O-N 3.12Å; T435-V439 WeakPolarHBondContact O-CB 3.49Å; T435-V439 PolarHBondContact O-N 3.16Å; T435-V439 VanDerWaalsContact OG1-CG2 3.27Å; T435-V439 WeakPolarHBondContact OG1-CG2 3.42Å
436	H	61	Low	75.1	Confident	179 Å²	179	69.2 Å²	69.2	83%	0.829	35%	0.347	S	S	*	.	H	α-helix	trans	-49.4	-37.9	179.6	-73.1	-69.8	0	0	0	113	S440	H436-S440 WeakPolarHBondContact O-CB 3.34Å; H436-S440 PolarHBondContact O-N 2.92Å
437	R	67.9	Low	75.1	Confident	180 Å²	180	72.8 Å²	72.8	68%	0.679	36%	0.362	S	S	*	.	H	α-helix	trans	-70.2	-65.1	170	-163	176.3	-75.2	-98.2	7	111.9	T435 V439 S440 D441	T435-R437 CarbonylContact O-C 3.57Å; T435-R437 PolarHBondContact O-N 3.48Å; R437-V439 PolarHBondContact O-N 2.93Å; R437-S440 CarbonylContact O-C 3.26Å; R437-S440 WeakPolarHBondContact O-CA 3.49Å; R437-S440 VanDerWaalsContact O-CB 3.25Å; R437-S440 WeakPolarHBondContact O-CB 3.37Å; R437-S440 PolarHBondContact O-N 2.89Å; R437-D441 WeakPolarHBondContact CG-OD2 3.43Å; R437-D441 PolarHBondContact O-N 2.93Å
438	S	71.7	Confident	75	Confident	63 Å²	63	75 Å²	75	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-66.8	-24.5	-172.5	63.7	0	0	0	0	116.5	T435 D441 M442	T435-S438 VanDerWaalsContact CB-OG 3.29Å; T435-S438 WeakPolarHBondContact CB-OG 3.44Å; T435-S438 WeakPolarHBondContact CG2-OG 3.24Å; T435-S438 PolarHBondContact O-N 3.31Å; T435-S438 VanDerWaalsContact O-N 3.12Å; S438-D441 WeakPolarHBondContact CA-OD2 3.19Å; S438-M442 WeakPolarHBondContact O-CB 3.44Å; S438-M442 PolarHBondContact O-N 3.21Å
439	V	73.2	Confident	75	Confident	31 Å²	31	76.3 Å²	76.3	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-74.1	-38.5	168.3	167.6	0	0	0	0	110.9	F359 T435 R437 A443	F359-V439 HydrophobicContact CB-CG1 4.07Å; F359-V439 HydrophobicContact CB-CG2 4.01Å; F359-V439 HydrophobicContact CD1-CG1 4.21Å; F359-V439 HydrophobicContact CD1-CG2 3.53Å; F359-V439 HydrophobicContact CD2-CG2 4.1Å; F359-V439 HydrophobicContact CE1-CG2 3.94Å; F359-V439 HydrophobicContact CE2-CG2 4.48Å; F359-V439 HydrophobicContact CG-CG1 4.39Å; F359-V439 HydrophobicContact CG-CG2 3.61Å; F359-V439 HydrophobicContact CZ-CG2 4.4Å; T435-V439 WeakPolarHBondContact O-CB 3.49Å; T435-V439 PolarHBondContact O-N 3.16Å; T435-V439 VanDerWaalsContact OG1-CG2 3.27Å; T435-V439 WeakPolarHBondContact OG1-CG2 3.42Å; R437-V439 PolarHBondContact O-N 2.93Å; V439-A443 WeakPolarHBondContact O-CB 3.39Å; V439-A443 PolarHBondContact O-N 2.94Å
440	S	77.7	Confident	75.2	Confident	70 Å²	70	75.2 Å²	75.2	49%	0.49	38%	0.377	S	S	.	.	H	α-helix	trans	-63.2	-42.4	170.5	-174.7	0	0	0	0	110.9	H436 R437 M442 A443 S444	H436-S440 WeakPolarHBondContact O-CB 3.34Å; H436-S440 PolarHBondContact O-N 2.92Å; R437-S440 CarbonylContact O-C 3.26Å; R437-S440 WeakPolarHBondContact O-CA 3.49Å; R437-S440 VanDerWaalsContact O-CB 3.25Å; R437-S440 WeakPolarHBondContact O-CB 3.37Å; R437-S440 PolarHBondContact O-N 2.89Å; S440-M442 PolarHBondContact O-N 3.33Å; S440-A443 CarbonylContact O-C 3.59Å; S440-A443 PolarHBondContact O-N 3.28Å; S440-S444 WeakPolarHBondContact O-CB 3.34Å; S440-S444 PolarHBondContact O-N 2.93Å
441	D	75.9	Confident	75.5	Confident	85 Å²	85	77.4 Å²	77.4	46%	0.455	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-42.2	178.1	-57.3	-34.3	0	0	0	111.4	R437 S438 A443 S444 S445	R437-D441 WeakPolarHBondContact CG-OD2 3.43Å; R437-D441 PolarHBondContact O-N 2.93Å; S438-D441 WeakPolarHBondContact CA-OD2 3.19Å; D441-A443 VanDerWaalsContact C-N 3.34Å; D441-A443 PolarHBondContact O-N 3.35Å; D441-S444 PolarHBondContact O-N 3.46Å; D441-S445 WeakPolarHBondContact O-CB 3.35Å; D441-S445 PolarHBondContact O-N 3Å
442	M	76.6	Confident	75.9	Confident	78 Å²	78	76 Å²	76	38%	0.384	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-38.6	175.1	-163.7	-164.5	-65.5	0	0	112	P358 F359 I362 S438 S440 K446	P358-M442 HydrophobicContact CB-CG 4.25Å; P358-M442 HydrophobicContact CB-SD 3.86Å; P358-M442 HydrophobicContact CG-CB 4.27Å; P358-M442 HydrophobicContact CG-CG 3.61Å; P358-M442 WeakPolarHBondContact CG-O 3.45Å; P358-M442 HydrophobicContact CG-SD 3.75Å; F359-M442 HydrophobicContact CB-SD 4.12Å; F359-M442 HydrophobicContact CD2-CE 4.35Å; I362-M442 HydrophobicContact CD1-SD 4.45Å; S438-M442 WeakPolarHBondContact O-CB 3.44Å; S438-M442 PolarHBondContact O-N 3.21Å; S440-M442 PolarHBondContact O-N 3.33Å; M442-K446 WeakPolarHBondContact O-CB 3.48Å; M442-K446 PolarHBondContact O-N 3.45Å
443	A	82.8	Confident	76.5	Confident	9 Å²	9	78.1 Å²	78.1	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-69.5	-47.2	174.5	0	0	0	0	0	111.6	T357 V439 S440 D441 K446 F447	T357-A443 HydrophobicContact CG2-CB 4.1Å; V439-A443 WeakPolarHBondContact O-CB 3.39Å; V439-A443 PolarHBondContact O-N 2.94Å; S440-A443 CarbonylContact O-C 3.59Å; S440-A443 PolarHBondContact O-N 3.28Å; D441-A443 VanDerWaalsContact C-N 3.34Å; D441-A443 PolarHBondContact O-N 3.35Å; A443-K446 WeakPolarHBondContact O-CB 3.26Å; A443-K446 PolarHBondContact O-N 3.24Å; A443-F447 HydrophobicContact CB-CD2 4.44Å; A443-F447 HydrophobicContact CB-CE2 3.92Å; A443-F447 HydrophobicContact CB-CZ 4.29Å; A443-F447 VanDerWaalsContact O-CD2 3.23Å; A443-F447 WeakPolarHBondContact O-CD2 3.06Å; A443-F447 WeakPolarHBondContact O-CG 3.25Å; A443-F447 PolarHBondContact O-N 2.75Å
444	S	83.2	Confident	77.4	Confident	42 Å²	42	80.5 Å²	80.5	29%	0.294	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-48.8	178.2	-176.7	0	0	0	0	111.4	S440 D441 K446 F447 K448	S440-S444 WeakPolarHBondContact O-CB 3.34Å; S440-S444 PolarHBondContact O-N 2.93Å; D441-S444 PolarHBondContact O-N 3.46Å; S444-K446 VanDerWaalsContact C-N 3.35Å; S444-K446 PolarHBondContact O-N 2.9Å; S444-F447 PolarHBondContact O-N 2.9Å; S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 VanDerWaalsContact O-CG 3.24Å; S444-K448 WeakPolarHBondContact O-CG 3.34Å; S444-K448 PolarHBondContact O-N 3.24Å; S444-K448 WeakPolarHBondContact OG-CE 3.49Å
445	S	79.6	Confident	79	Confident	36 Å²	36	72 Å²	72	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-39.6	175.5	-170.7	0	0	0	0	112.1	D441 K449	D441-S445 WeakPolarHBondContact O-CB 3.35Å; D441-S445 PolarHBondContact O-N 3Å; S445-K449 WeakPolarHBondContact O-CB 3.41Å; S445-K449 WeakPolarHBondContact O-CG 3.3Å; S445-K449 PolarHBondContact O-N 3.45Å; S445-K449 PolarHBondContact OG-NZ 2.91Å
446	K	81.9	Confident	80.4	Confident	56 Å²	56	74.1 Å²	74.1	24%	0.243	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-47	172.9	-175.9	-172.6	177.1	-175	0	111.2	V356 P358 M442 A443 S444 K449 M450	V356-K446 PolarHBondContact O-NZ 3.47Å; P358-K446 HydrophobicContact CB-CD 4.07Å; P358-K446 HydrophobicContact CG-CB 4.2Å; P358-K446 HydrophobicContact CG-CD 3.88Å; M442-K446 WeakPolarHBondContact O-CB 3.48Å; M442-K446 PolarHBondContact O-N 3.45Å; A443-K446 WeakPolarHBondContact O-CB 3.26Å; A443-K446 PolarHBondContact O-N 3.24Å; S444-K446 VanDerWaalsContact C-N 3.35Å; S444-K446 PolarHBondContact O-N 2.9Å; K446-K449 PolarHBondContact O-N 3.3Å; K446-M450 HydrophobicContact CD-SD 4.47Å; K446-M450 HydrophobicContact CG-SD 4.03Å; K446-M450 WeakPolarHBondContact O-CB 3.29Å; K446-M450 VanDerWaalsContact O-CG 3.31Å; K446-M450 WeakPolarHBondContact O-CG 3.35Å; K446-M450 PolarHBondContact O-N 2.56Å
447	F	86.3	Confident	81.5	Confident	83 Å²	83	70.3 Å²	70.3	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-41.2	-178.8	-60	-30.2	0	0	0	112.4	I355 A443 S444 K449 M450 L451	I355-F447 HydrophobicContact CG2-CD1 4.43Å; I355-F447 HydrophobicContact CG2-CE1 3.55Å; I355-F447 HydrophobicContact CG2-CZ 4.12Å; A443-F447 HydrophobicContact CB-CD2 4.44Å; A443-F447 HydrophobicContact CB-CE2 3.92Å; A443-F447 HydrophobicContact CB-CZ 4.29Å; A443-F447 VanDerWaalsContact O-CD2 3.23Å; A443-F447 WeakPolarHBondContact O-CD2 3.06Å; A443-F447 WeakPolarHBondContact O-CG 3.25Å; A443-F447 PolarHBondContact O-N 2.75Å; S444-F447 PolarHBondContact O-N 2.9Å; F447-K449 PolarHBondContact O-N 3.24Å; F447-M450 PolarHBondContact O-N 3.38Å; F447-L451 WeakPolarHBondContact O-CB 3.28Å; F447-L451 PolarHBondContact O-N 2.86Å
448	K	85.2	Confident	82.3	Confident	46 Å²	46	65.8 Å²	65.8	20%	0.2	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-43.2	172.8	-71.2	174.3	175.7	175.3	0	111.8	S444 L451 N452 L477 D478	S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 VanDerWaalsContact O-CG 3.24Å; S444-K448 WeakPolarHBondContact O-CG 3.34Å; S444-K448 PolarHBondContact O-N 3.24Å; S444-K448 WeakPolarHBondContact OG-CE 3.49Å; K448-L451 PolarHBondContact O-N 3.02Å; K448-N452 WeakPolarHBondContact O-CB 3.16Å; K448-N452 PolarHBondContact O-N 3.09Å; K448-N452 PolarHBondContact O-ND2 3.21Å; K448-L477 HydrophobicContact CB-CD2 3.89Å; K448-L477 HydrophobicContact CG-CD2 3.69Å; K448-D478 IonicContact NZ-OD2 2.71Å; K448-D478 PolarHBondContact NZ-OD2 2.94Å
449	K	83.5	Confident	82.9	Confident	108 Å²	108	64.1 Å²	64.1	47%	0.47	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-37.9	177.1	-76.4	167.5	179	145.8	0	113	S445 K446 F447 K453 E481	S445-K449 WeakPolarHBondContact O-CB 3.41Å; S445-K449 WeakPolarHBondContact O-CG 3.3Å; S445-K449 PolarHBondContact O-N 3.45Å; S445-K449 PolarHBondContact OG-NZ 2.91Å; K446-K449 PolarHBondContact O-N 3.3Å; F447-K449 PolarHBondContact O-N 3.24Å; K449-K453 WeakPolarHBondContact O-CB 3.42Å; K449-K453 PolarHBondContact O-N 3.25Å; K449-K453 VanDerWaalsContact O-N 3.17Å; K449-E481 WeakPolarHBondContact CE-OE1 3.3Å; K449-E481 VanDerWaalsContact CE-OE2 3.3Å; K449-E481 WeakPolarHBondContact CE-OE2 3.34Å; K449-E481 IonicContact NZ-OE1 3.77Å; K449-E481 PolarHBondContact NZ-OE1 3.22Å; K449-E481 IonicContact NZ-OE2 3.61Å
450	M	85.2	Confident	83.4	Confident	86 Å²	86	69.4 Å²	69.4	42%	0.424	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-49.4	170.8	-73.2	174.3	63.5	0	0	110.7	K446 F447 K453 E454	K446-M450 HydrophobicContact CD-SD 4.47Å; K446-M450 HydrophobicContact CG-SD 4.03Å; K446-M450 WeakPolarHBondContact O-CB 3.29Å; K446-M450 VanDerWaalsContact O-CG 3.31Å; K446-M450 WeakPolarHBondContact O-CG 3.35Å; K446-M450 PolarHBondContact O-N 2.56Å; F447-M450 PolarHBondContact O-N 3.38Å; M450-K453 WeakPolarHBondContact O-CB 3.41Å; M450-K453 PolarHBondContact O-N 2.92Å; M450-E454 PolarHBondContact O-N 2.96Å; M450-E454 VanDerWaalsContact O-N 3.09Å
451	L	87.4	Confident	83.5	Confident	65 Å²	65	69.9 Å²	69.9	34%	0.34	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-48.5	-179.9	-176	57.3	0	0	0	111.8	F447 K448 K453 E454 L455 I472 L477	F447-L451 WeakPolarHBondContact O-CB 3.28Å; F447-L451 PolarHBondContact O-N 2.86Å; K448-L451 PolarHBondContact O-N 3.02Å; L451-K453 VanDerWaalsContact C-N 3.25Å; L451-K453 PolarHBondContact O-N 2.76Å; L451-E454 PolarHBondContact O-N 3.46Å; L451-L455 HydrophobicContact CD1-CD1 3.9Å; L451-L455 HydrophobicContact CD1-CD2 4.25Å; L451-L455 HydrophobicContact CD1-CG 3.82Å; L451-L455 HydrophobicContact CD2-CD1 4.42Å; L451-L455 HydrophobicContact CG-CD1 3.72Å; L451-L455 HydrophobicContact CG-CG 4.09Å; L451-L455 WeakPolarHBondContact O-CB 3.5Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.45Å; L451-I472 HydrophobicContact CD2-CG2 4.21Å; L451-L477 HydrophobicContact CB-CD2 4.5Å; L451-L477 HydrophobicContact CD2-CD2 3.96Å; L451-L477 HydrophobicContact CD2-CG 4.36Å; L451-L477 HydrophobicContact CG-CD2 4.48Å
452	N	84.6	Confident	83.8	Confident	28 Å²	28	67.4 Å²	67.4	15%	0.15	36%	0.362	C	S	.	.	H	α-helix	trans	-50.2	-45.4	172.8	-91	-45.9	0	0	0	111.8	K448 L455 S456 L477 N482	K448-N452 WeakPolarHBondContact O-CB 3.16Å; K448-N452 PolarHBondContact O-N 3.09Å; K448-N452 PolarHBondContact O-ND2 3.21Å; N452-L455 PolarHBondContact O-N 2.98Å; N452-S456 WeakPolarHBondContact O-CB 3.35Å; N452-S456 PolarHBondContact O-N 2.72Å; N452-S456 PolarHBondContact O-OG 3.1Å; N452-L477 WeakPolarHBondContact OD1-CD1 3.32Å; N452-N482 PolarHBondContact OD1-ND2 3.47Å
453	K	86.1	Confident	84.2	Confident	124 Å²	124	70.4 Å²	70.4	54%	0.539	38%	0.375	S	S	.	.	H	α-helix	trans	-66	-41.6	-178.5	-170.1	-154.2	165.3	-140.7	0	112.9	K449 M450 L451 Q457	K449-K453 WeakPolarHBondContact O-CB 3.42Å; K449-K453 PolarHBondContact O-N 3.25Å; K449-K453 VanDerWaalsContact O-N 3.17Å; M450-K453 WeakPolarHBondContact O-CB 3.41Å; M450-K453 PolarHBondContact O-N 2.92Å; L451-K453 VanDerWaalsContact C-N 3.25Å; L451-K453 PolarHBondContact O-N 2.76Å; K453-Q457 PolarHBondContact O-N 2.97Å; K453-Q457 PolarHBondContact O-NE2 2.64Å
454	E	87.2	Confident	84.4	Confident	104 Å²	104	73.8 Å²	73.8	49%	0.486	40%	0.398	S	S	.	.	H	α-helix	trans	-70	-40.1	176	-59.7	-49	133.4	0	0	111.1	M450 L451 S456 Q457 F458	M450-E454 PolarHBondContact O-N 2.96Å; M450-E454 VanDerWaalsContact O-N 3.09Å; L451-E454 PolarHBondContact O-N 3.46Å; E454-S456 PolarHBondContact O-N 2.83Å; E454-Q457 PolarHBondContact O-N 3.22Å; E454-F458 WeakPolarHBondContact O-CB 3.32Å; E454-F458 PolarHBondContact O-N 2.85Å
455	L	87.4	Confident	84.5	Confident	11 Å²	11	71.9 Å²	71.9	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-67.1	-32.7	177.1	-70	-178	0	0	0	113.4	L451 N452 F458 A459 S469 I472 C473 L477	L451-L455 HydrophobicContact CD1-CD1 3.9Å; L451-L455 HydrophobicContact CD1-CD2 4.25Å; L451-L455 HydrophobicContact CD1-CG 3.82Å; L451-L455 HydrophobicContact CD2-CD1 4.42Å; L451-L455 HydrophobicContact CG-CD1 3.72Å; L451-L455 HydrophobicContact CG-CG 4.09Å; L451-L455 WeakPolarHBondContact O-CB 3.5Å; L451-L455 VanDerWaalsContact O-CG 3.23Å; L451-L455 WeakPolarHBondContact O-CG 3.38Å; L451-L455 PolarHBondContact O-N 3.45Å; N452-L455 PolarHBondContact O-N 2.98Å; L455-F458 PolarHBondContact O-N 3.37Å; L455-A459 WeakPolarHBondContact O-CB 3.38Å; L455-A459 PolarHBondContact O-N 3.43Å; L455-S469 WeakPolarHBondContact CB-OG 3.44Å; L455-S469 WeakPolarHBondContact O-CB 3.33Å; L455-S469 PolarHBondContact O-OG 3.48Å; L455-I472 HydrophobicContact CD1-CB 3.93Å; L455-I472 HydrophobicContact CD1-CG2 3.57Å; L455-I472 HydrophobicContact CD2-CB 4.19Å; L455-I472 HydrophobicContact CD2-CD1 3.87Å; L455-I472 HydrophobicContact CD2-CG2 4.18Å; L455-I472 HydrophobicContact CG-CG2 4.48Å; L455-C473 VanDerWaalsContact CD1-SG 3.55Å; L455-L477 HydrophobicContact CD1-CD1 4.31Å
456	S	83.6	Confident	84.9	Confident	72 Å²	72	74.7 Å²	74.7	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-49.6	171	-63.3	0	0	0	0	111.3	N452 E454 F458 A459 D460	N452-S456 WeakPolarHBondContact O-CB 3.35Å; N452-S456 PolarHBondContact O-N 2.72Å; N452-S456 PolarHBondContact O-OG 3.1Å; E454-S456 PolarHBondContact O-N 2.83Å; S456-F458 PolarHBondContact O-N 2.94Å; S456-A459 WeakPolarHBondContact O-CB 3.45Å; S456-A459 PolarHBondContact O-N 2.94Å; S456-A459 VanDerWaalsContact O-N 3.16Å; S456-D460 PolarHBondContact O-N 2.87Å
457	Q	85.1	Confident	85.1	Confident	100 Å²	100	78.1 Å²	78.1	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-62.3	-32	176.1	-72.1	168.7	79.5	0	0	112.4	K453 E454	K453-Q457 PolarHBondContact O-N 2.97Å; K453-Q457 PolarHBondContact O-NE2 2.64Å; E454-Q457 PolarHBondContact O-N 3.22Å
458	F	84.4	Confident	85.2	Confident	85 Å²	85	78 Å²	78	37%	0.373	41%	0.412	S	S	.	.	H	α-helix	trans	-75.8	-30.8	176	-169.7	-113.6	0	0	0	113.3	E454 L455 S456 D460 A461 G465 I468	E454-F458 WeakPolarHBondContact O-CB 3.32Å; E454-F458 PolarHBondContact O-N 2.85Å; L455-F458 PolarHBondContact O-N 3.37Å; S456-F458 PolarHBondContact O-N 2.94Å; F458-D460 VanDerWaalsContact C-N 3.29Å; F458-D460 PolarHBondContact O-N 2.95Å; F458-A461 WeakPolarHBondContact O-CB 3.4Å; F458-A461 PolarHBondContact O-N 2.97Å; F458-G465 WeakPolarHBondContact CD1-O 3.4Å; F458-G465 WeakPolarHBondContact O-CA 3.43Å; F458-I468 HydrophobicContact CD1-CG2 4.47Å; F458-I468 HydrophobicContact CE1-CB 3.91Å; F458-I468 HydrophobicContact CE1-CD1 4.24Å; F458-I468 HydrophobicContact CE1-CG2 3.77Å; F458-I468 HydrophobicContact CZ-CD1 4.47Å
459	A	83.5	Confident	85.4	Confident	27 Å²	27	76.2 Å²	76.2	22%	0.223	41%	0.406	C	S	.	.	H	α-helix	trans	-64.8	-34.9	174.2	0	0	0	0	0	112.2	L455 S456 A461 K466	L455-A459 WeakPolarHBondContact O-CB 3.38Å; L455-A459 PolarHBondContact O-N 3.43Å; S456-A459 WeakPolarHBondContact O-CB 3.45Å; S456-A459 PolarHBondContact O-N 2.94Å; S456-A459 VanDerWaalsContact O-N 3.16Å; A459-A461 PolarHBondContact O-N 3.18Å; A459-K466 HydrophobicContact CB-CB 4.39Å
460	D	83.8	Confident	85.5	Confident	143 Å²	143	76.1 Å²	76.1	77%	0.765	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.4	176.3	-65	-27.1	0	0	0	113.2	S456 F458 G462	S456-D460 PolarHBondContact O-N 2.87Å; F458-D460 VanDerWaalsContact C-N 3.29Å; F458-D460 PolarHBondContact O-N 2.95Å; D460-G462 VanDerWaalsContact C-N 3.3Å; D460-G462 PolarHBondContact O-N 2.92Å
461	A	79.7	Confident	85.6	Confident	79 Å²	79	78.7 Å²	78.7	65%	0.653	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	-176.8	0	0	0	0	0	114.5	F458 A459	F458-A461 WeakPolarHBondContact O-CB 3.4Å; F458-A461 PolarHBondContact O-N 2.97Å; A459-A461 PolarHBondContact O-N 3.18Å
462	G	83.3	Confident	85.7	Confident	33 Å²	33	77.7 Å²	77.7	34%	0.34	41%	0.407	S	S	.	.			trans	145.9	173.3	175.3	0	0	0	0	0	113.9	D460 S464 G465 K466	D460-G462 VanDerWaalsContact C-N 3.3Å; D460-G462 PolarHBondContact O-N 2.92Å; G462-S464 VanDerWaalsContact C-N 3.32Å; G462-S464 PolarHBondContact O-N 2.89Å; G462-G465 WeakPolarHBondContact O-CA 3.5Å; G462-G465 PolarHBondContact O-N 3.44Å; G462-K466 PolarHBondContact O-N 3.38Å
463	Q	84.1	Confident	85.7	Confident	142 Å²	142	78 Å²	78	66%	0.664	41%	0.411	S	S	*	.	H	α-helix	trans	-58.7	-38.5	-175.9	-69	-68.5	-7	0	0	113.5	K466 Q467	Q463-K466 PolarHBondContact O-N 2.84Å; Q463-Q467 WeakPolarHBondContact O-CG 3.49Å; Q463-Q467 PolarHBondContact O-N 3.36Å
464	S	86.5	Confident	85.6	Confident	80 Å²	80	76.4 Å²	76.4	56%	0.559	42%	0.416	S	S	*	.	H	α-helix	trans	-66.5	-40.7	173.6	50.9	0	0	0	0	112.1	G462 K466 Q467 I468	G462-S464 VanDerWaalsContact C-N 3.32Å; G462-S464 PolarHBondContact O-N 2.89Å; S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 2.78Å; S464-Q467 PolarHBondContact O-N 3.24Å; S464-I468 WeakPolarHBondContact O-CB 3.42Å; S464-I468 WeakPolarHBondContact O-CD1 3.33Å; S464-I468 VanDerWaalsContact O-CG1 3.25Å; S464-I468 WeakPolarHBondContact O-CG1 3.3Å; S464-I468 PolarHBondContact O-N 3.25Å
465	G	86.4	Confident	85.6	Confident	2 Å²	2	74.3 Å²	74.3	2%	0.021	41%	0.41	C	S	.	.	H	α-helix	trans	-59.6	-43.2	173.8	0	0	0	0	0	112	F458 G462 S469	F458-G465 WeakPolarHBondContact CD1-O 3.4Å; F458-G465 WeakPolarHBondContact O-CA 3.43Å; G462-G465 WeakPolarHBondContact O-CA 3.5Å; G462-G465 PolarHBondContact O-N 3.44Å; G465-S469 WeakPolarHBondContact O-CB 3.42Å; G465-S469 PolarHBondContact O-N 3.25Å
466	K	87.5	Confident	85.6	Confident	94 Å²	94	79.9 Å²	79.9	41%	0.409	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-50.3	173.8	-178	177	171.9	-180	0	112.6	A459 G462 Q463 S464 I468 S469 E470	A459-K466 HydrophobicContact CB-CB 4.39Å; G462-K466 PolarHBondContact O-N 3.38Å; Q463-K466 PolarHBondContact O-N 2.84Å; S464-K466 VanDerWaalsContact C-N 3.32Å; S464-K466 PolarHBondContact O-N 2.78Å; K466-I468 PolarHBondContact O-N 3.16Å; K466-S469 WeakPolarHBondContact O-CB 3.46Å; K466-S469 PolarHBondContact O-N 3.45Å; K466-E470 WeakPolarHBondContact CE-OE1 3.31Å; K466-E470 HydrophobicContact CG-CG 4.48Å; K466-E470 IonicContact NZ-OE1 3.84Å; K466-E470 WeakPolarHBondContact O-CG 3.32Å; K466-E470 PolarHBondContact O-N 2.97Å
467	Q	87.1	Confident	85.4	Confident	128 Å²	128	77.2 Å²	77.2	60%	0.598	41%	0.414	S	S	*	.	H	α-helix	trans	-60.4	-43	179.1	-74.1	174	-11.8	0	0	112.6	Q463 S464 E470 Y471	Q463-Q467 WeakPolarHBondContact O-CG 3.49Å; Q463-Q467 PolarHBondContact O-N 3.36Å; S464-Q467 PolarHBondContact O-N 3.24Å; Q467-E470 PolarHBondContact O-N 2.91Å; Q467-Y471 WeakPolarHBondContact O-CB 3.38Å; Q467-Y471 PolarHBondContact O-N 3.43Å
468	I	88.6	Confident	84.5	Confident	80 Å²	80	77.1 Å²	77.1	41%	0.41	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-40.8	176.1	-67.5	165.4	0	0	0	110.5	F458 S464 K466 Y471 I472	F458-I468 HydrophobicContact CD1-CG2 4.47Å; F458-I468 HydrophobicContact CE1-CB 3.91Å; F458-I468 HydrophobicContact CE1-CD1 4.24Å; F458-I468 HydrophobicContact CE1-CG2 3.77Å; F458-I468 HydrophobicContact CZ-CD1 4.47Å; S464-I468 WeakPolarHBondContact O-CB 3.42Å; S464-I468 WeakPolarHBondContact O-CD1 3.33Å; S464-I468 VanDerWaalsContact O-CG1 3.25Å; S464-I468 WeakPolarHBondContact O-CG1 3.3Å; S464-I468 PolarHBondContact O-N 3.25Å; K466-I468 PolarHBondContact O-N 3.16Å; I468-Y471 PolarHBondContact O-N 2.92Å; I468-I472 HydrophobicContact CG2-CD1 3.69Å; I468-I472 HydrophobicContact CG2-CG1 4.35Å; I468-I472 VanDerWaalsContact O-CG1 3.27Å; I468-I472 WeakPolarHBondContact O-CG1 3.45Å; I468-I472 PolarHBondContact O-N 2.93Å
469	S	87.6	Confident	83.2	Confident	10 Å²	10	77.7 Å²	77.7	7%	0.07	43%	0.432	C	S	.	.	H	α-helix	trans	-60.5	-46.3	175.3	-177.3	0	0	0	0	111.6	L455 G465 K466 I472 C473	L455-S469 WeakPolarHBondContact CB-OG 3.44Å; L455-S469 WeakPolarHBondContact O-CB 3.33Å; L455-S469 PolarHBondContact O-OG 3.48Å; G465-S469 WeakPolarHBondContact O-CB 3.42Å; G465-S469 PolarHBondContact O-N 3.25Å; K466-S469 WeakPolarHBondContact O-CB 3.46Å; K466-S469 PolarHBondContact O-N 3.45Å; S469-I472 PolarHBondContact O-N 3.07Å; S469-C473 VanDerWaalsContact O-CB 3.28Å; S469-C473 WeakPolarHBondContact O-CB 3.29Å; S469-C473 PolarHBondContact O-N 3.23Å; S469-C473 PolarHBondContact O-SG 2.99Å
470	E	86.2	Confident	81.7	Confident	105 Å²	105	83.1 Å²	83.1	49%	0.491	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-43.2	175.4	-73.2	172.5	174.2	0	0	112	K466 Q467 S474	K466-E470 WeakPolarHBondContact CE-OE1 3.31Å; K466-E470 HydrophobicContact CG-CG 4.48Å; K466-E470 IonicContact NZ-OE1 3.84Å; K466-E470 WeakPolarHBondContact O-CG 3.32Å; K466-E470 PolarHBondContact O-N 2.97Å; Q467-E470 PolarHBondContact O-N 2.91Å; E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.27Å; E470-S474 PolarHBondContact O-N 3.47Å; E470-S474 PolarHBondContact O-OG 3.46Å
471	Y	88.2	Confident	79.8	Confident	141 Å²	141	80.4 Å²	80.4	55%	0.553	43%	0.433	S	S	*	.	H	α-helix	trans	-62.1	-46.8	175.2	172.1	-108.9	0	0	0	112.6	Q467 I468 S474 T475	Q467-Y471 WeakPolarHBondContact O-CB 3.38Å; Q467-Y471 PolarHBondContact O-N 3.43Å; I468-Y471 PolarHBondContact O-N 2.92Å; Y471-S474 WeakPolarHBondContact CA-OG 3.47Å; Y471-S474 PolarHBondContact O-N 3.11Å; Y471-S474 PolarHBondContact O-OG 3.36Å; Y471-S474 VanDerWaalsContact O-OG 3.08Å; Y471-T475 WeakPolarHBondContact CE2-OG1 3.5Å; Y471-T475 VanDerWaalsContact O-CB 3.23Å; Y471-T475 WeakPolarHBondContact O-CB 3.42Å; Y471-T475 PolarHBondContact O-N 3.32Å; Y471-T475 PolarHBondContact O-OG1 3.46Å
472	I	88.2	Confident	77.7	Confident	43 Å²	43	81.5 Å²	81.5	22%	0.221	43%	0.428	C	S	.	.	H	α-helix	trans	-67.6	-42.1	179.7	-63.3	168.2	0	0	0	110.4	L451 L455 I468 S469 T475 F476	L451-I472 HydrophobicContact CD2-CG2 4.21Å; L455-I472 HydrophobicContact CD1-CB 3.93Å; L455-I472 HydrophobicContact CD1-CG2 3.57Å; L455-I472 HydrophobicContact CD2-CB 4.19Å; L455-I472 HydrophobicContact CD2-CD1 3.87Å; L455-I472 HydrophobicContact CD2-CG2 4.18Å; L455-I472 HydrophobicContact CG-CG2 4.48Å; I468-I472 HydrophobicContact CG2-CD1 3.69Å; I468-I472 HydrophobicContact CG2-CG1 4.35Å; I468-I472 VanDerWaalsContact O-CG1 3.27Å; I468-I472 WeakPolarHBondContact O-CG1 3.45Å; I468-I472 PolarHBondContact O-N 2.93Å; S469-I472 PolarHBondContact O-N 3.07Å; I472-T475 PolarHBondContact O-N 2.94Å; I472-F476 HydrophobicContact CB-CD2 4.44Å; I472-F476 HydrophobicContact CG2-CD2 3.97Å; I472-F476 PolarHBondContact O-N 3.31Å
473	C	84.6	Confident	75.7	Confident	34 Å²	34	82.3 Å²	82.3	23%	0.23	42%	0.424	C	S	.	.	H	α-helix	trans	-60.4	-46.2	175.5	-70.1	0	0	0	0	112.1	L455 S469 T475 L477	L455-C473 VanDerWaalsContact CD1-SG 3.55Å; S469-C473 VanDerWaalsContact O-CB 3.28Å; S469-C473 WeakPolarHBondContact O-CB 3.29Å; S469-C473 PolarHBondContact O-N 3.23Å; S469-C473 PolarHBondContact O-SG 2.99Å; C473-T475 VanDerWaalsContact C-N 3.34Å; C473-T475 PolarHBondContact O-N 2.79Å; C473-L477 HydrophobicContact CB-CD1 4.41Å; C473-L477 WeakPolarHBondContact O-CB 3.38Å; C473-L477 PolarHBondContact O-N 3.29Å
474	S	84.1	Confident	73.2	Confident	92 Å²	92	80.1 Å²	80.1	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-72	-24.9	-178.8	55.3	0	0	0	0	114.1	E470 Y471	E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.27Å; E470-S474 PolarHBondContact O-N 3.47Å; E470-S474 PolarHBondContact O-OG 3.46Å; Y471-S474 WeakPolarHBondContact CA-OG 3.47Å; Y471-S474 PolarHBondContact O-N 3.11Å; Y471-S474 PolarHBondContact O-OG 3.36Å; Y471-S474 VanDerWaalsContact O-OG 3.08Å
475	T	86.8	Confident	70.9	Confident	60 Å²	60	79.6 Å²	79.6	37%	0.368	41%	0.413	S	S	.	.	H	α-helix	trans	-97.6	-37.5	-174.4	-52.8	0	0	0	0	113.5	Y471 I472 C473	Y471-T475 WeakPolarHBondContact CE2-OG1 3.5Å; Y471-T475 VanDerWaalsContact O-CB 3.23Å; Y471-T475 WeakPolarHBondContact O-CB 3.42Å; Y471-T475 PolarHBondContact O-N 3.32Å; Y471-T475 PolarHBondContact O-OG1 3.46Å; I472-T475 PolarHBondContact O-N 2.94Å; C473-T475 VanDerWaalsContact C-N 3.34Å; C473-T475 PolarHBondContact O-N 2.79Å
476	F	87.4	Confident	68.6	Low	127 Å²	127	82.6 Å²	82.6	56%	0.557	43%	0.431	S	S	*	.	H	α-helix	trans	-118.2	-7.2	-169.6	-57.8	-75.3	0	0	0	114.8	I472	I472-F476 HydrophobicContact CB-CD2 4.44Å; I472-F476 HydrophobicContact CG2-CD2 3.97Å; I472-F476 PolarHBondContact O-N 3.31Å
477	L	79.4	Confident	65.7	Low	16 Å²	16	83 Å²	83	8%	0.084	44%	0.441	C	S	.	.	S	Bend	trans	-112	124.3	175.9	-61.2	178.6	0	0	0	110.3	K448 L451 N452 L455 C473 S479	K448-L477 HydrophobicContact CB-CD2 3.89Å; K448-L477 HydrophobicContact CG-CD2 3.69Å; L451-L477 HydrophobicContact CB-CD2 4.5Å; L451-L477 HydrophobicContact CD2-CD2 3.96Å; L451-L477 HydrophobicContact CD2-CG 4.36Å; L451-L477 HydrophobicContact CG-CD2 4.48Å; N452-L477 WeakPolarHBondContact OD1-CD1 3.32Å; L455-L477 HydrophobicContact CD1-CD1 4.31Å; C473-L477 HydrophobicContact CB-CD1 4.41Å; C473-L477 WeakPolarHBondContact O-CB 3.38Å; C473-L477 PolarHBondContact O-N 3.29Å; L477-S479 PolarHBondContact O-N 3.33Å
478	D	67.3	Low	63	Low	99 Å²	99	79.7 Å²	79.7	53%	0.529	43%	0.43	S	S	.	.			trans	-59.1	122.8	168.9	-68.8	-46.6	0	0	0	109.5	K448 K480	K448-D478 IonicContact NZ-OD2 2.71Å; K448-D478 PolarHBondContact NZ-OD2 2.94Å; D478-K480 HydrophobicContact CB-CG 4.36Å; D478-K480 PolarHBondContact O-N 3.42Å
479	S	56.8	Low	59.9	Low	97 Å²	97	80.6 Å²	80.6	68%	0.678	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	8.4	178.1	47.8	0	0	0	0	114.7	L477 E481	L477-S479 PolarHBondContact O-N 3.33Å; S479-E481 PolarHBondContact O-N 2.87Å
480	K	51.4	Low	57.1	Low	140 Å²	140	87.8 Å²	87.8	61%	0.609	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.7	-177.1	-66.9	-168.5	178.2	-166.5	0	114.4	D478	D478-K480 HydrophobicContact CB-CG 4.36Å; D478-K480 PolarHBondContact O-N 3.42Å
481	E	43.6	Very low	54.2	Low	87 Å²	87	88 Å²	88	41%	0.407	49%	0.489	S	S	.	.	S	Bend	trans	-101.7	-10.7	-177.3	-72.5	-168.6	143.6	0	0	115.3	K449 S479	K449-E481 WeakPolarHBondContact CE-OE1 3.3Å; K449-E481 VanDerWaalsContact CE-OE2 3.3Å; K449-E481 WeakPolarHBondContact CE-OE2 3.34Å; K449-E481 IonicContact NZ-OE1 3.77Å; K449-E481 PolarHBondContact NZ-OE1 3.22Å; K449-E481 IonicContact NZ-OE2 3.61Å; S479-E481 PolarHBondContact O-N 2.87Å
482	N	35.7	Very low	51.4	Low	101 Å²	101	85.6 Å²	85.6	54%	0.54	49%	0.492	S	S	.	.			trans	-110.2	15.2	-168.5	-76.6	-9.5	0	0	0	115.6	N452 P484	N452-N482 PolarHBondContact OD1-ND2 3.47Å; N482-P484 WeakPolarHBondContact O-CD 3.45Å
483	D	41.5	Very low	48.3	Very low	51 Å²	51	90.7 Å²	90.7	27%	0.273	53%	0.525	S	S	.	.			trans	-86	122.1	179.2	-161.8	-26.7	0	0	0	111.7	L485 T486	D483-L485 PolarHBondContact O-N 3.02Å; D483-L485 PolarHBondContact OD1-N 2.87Å; D483-T486 PolarHBondContact O-N 2.82Å; D483-T486 PolarHBondContact O-OG1 2.83Å
484	P	32.1	Very low	45.6	Very low	95 Å²	95	94.7 Å²	94.7	62%	0.617	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-63	-2.1	179	-23.7	34.7	0	0	0	115.8	N482 T486 T487	N482-P484 WeakPolarHBondContact O-CD 3.45Å; P484-T486 PolarHBondContact O-N 3.17Å; P484-T487 PolarHBondContact O-OG1 3.31Å
485	L	39.2	Very low	42.8	Very low	70 Å²	70	95.3 Å²	95.3	37%	0.366	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-72.7	-4.8	171.1	-68	172.7	0	0	0	114.1	D483 T487 K854	D483-L485 PolarHBondContact O-N 3.02Å; D483-L485 PolarHBondContact OD1-N 2.87Å; L485-T487 PolarHBondContact O-N 2.82Å; L485-K854 HydrophobicContact CD1-CD 4.46Å; L485-K854 HydrophobicContact CD1-CG 4.3Å; L485-K854 HydrophobicContact CD2-CD 4.36Å; L485-K854 VanDerWaalsContact CG-CE 3.47Å
486	T	38.2	Very low	40	Very low	65 Å²	65	100.1 Å²	100.1	40%	0.399	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-70.4	-1.4	173.6	45.1	0	0	0	0	114.3	D483 P484	D483-T486 PolarHBondContact O-N 2.82Å; D483-T486 PolarHBondContact O-OG1 2.83Å; P484-T486 PolarHBondContact O-N 3.17Å
487	T	26.7	Very low	37.3	Very low	102 Å²	102	101.4 Å²	101.4	63%	0.626	58%	0.578	S	S	*	*	S	Bend	trans	-120.1	113.7	168.5	54.9	0	0	0	0	110.8	P484 L485 S489	P484-T487 PolarHBondContact O-OG1 3.31Å; L485-T487 PolarHBondContact O-N 2.82Å; T487-S489 VanDerWaalsContact C-N 3.33Å; T487-S489 PolarHBondContact O-N 3.22Å
488	T	28.4	Very low	34.8	Very low	58 Å²	58	107.7 Å²	107.7	36%	0.356	61%	0.612	S	S	.	*			trans	-68.8	88.6	165.7	37	0	0	0	0	110.6	H490	T488-H490 PolarHBondContact O-N 2.91Å
489	S	25.3	Very low	33.1	Very low	99 Å²	99	109.5 Å²	109.5	69%	0.692	63%	0.627	S	S	*	*			trans	-69.3	85.4	161.3	55.4	0	0	0	0	109.1	T487 S491	T487-S489 VanDerWaalsContact C-N 3.33Å; T487-S489 PolarHBondContact O-N 3.22Å; S489-S491 VanDerWaalsContact C-N 3.27Å; S489-S491 PolarHBondContact O-N 3.24Å
490	H	28.8	Very low	31.7	Very low	162 Å²	162	113.7 Å²	113.7	75%	0.75	64%	0.635	S	S	*	*			trans	-57.8	97	159.6	-84.6	-86	0	0	0	107.7	T488 S492	T488-H490 PolarHBondContact O-N 2.91Å; H490-S492 PolarHBondContact O-N 3.48Å
491	S	25.2	Very low	30.6	Very low	109 Å²	109	110.6 Å²	110.6	76%	0.762	64%	0.642	S	S	*	*			trans	-72.5	81	164.5	-67.6	0	0	0	0	107.6	S489 V493	S489-S491 VanDerWaalsContact C-N 3.27Å; S489-S491 PolarHBondContact O-N 3.24Å; S491-V493 PolarHBondContact O-N 2.8Å
492	S	27.8	Very low	29.8	Very low	90 Å²	90	113.1 Å²	113.1	63%	0.629	66%	0.657	S	S	*	*			trans	-61.7	118.2	163.3	45.8	0	0	0	0	107.7	H490 I494	H490-S492 PolarHBondContact O-N 3.48Å; S492-I494 PolarHBondContact O-N 3.09Å
493	V	24.5	Very low	29.4	Very low	150 Å²	150	116.5 Å²	116.5	91%	0.909	67%	0.672	S	S	*	*			trans	-70.2	86	172.4	179.4	0	0	0	0	107.7	S491	S491-V493 PolarHBondContact O-N 2.8Å
494	I	26.6	Very low	28.9	Very low	118 Å²	118	118.7 Å²	118.7	61%	0.605	69%	0.691	S	S	*	*			trans	-123.7	106.6	167.2	-60.5	-178.2	0	0	0	107.4	S492 H496	S492-I494 PolarHBondContact O-N 3.09Å; I494-H496 PolarHBondContact O-N 2.99Å; I494-H496 PolarHBondContact O-ND1 3.33Å
495	S	25.6	Very low	28.8	Very low	105 Å²	105	121.8 Å²	121.8	73%	0.734	70%	0.703	S	S	*	*			trans	-51.5	106.8	173.4	51.5	0	0	0	0	111	N497	S495-N497 PolarHBondContact O-N 2.84Å; S495-N497 VanDerWaalsContact O-N 3.08Å
496	H	27.6	Very low	28.5	Very low	162 Å²	162	123.8 Å²	123.8	75%	0.75	72%	0.722	S	S	*	*			trans	-78.7	88.9	172.1	-81.5	51.3	0	0	0	109.7	I494	I494-H496 PolarHBondContact O-N 2.99Å; I494-H496 PolarHBondContact O-ND1 3.33Å
497	N	31.7	Very low	28.1	Very low	154 Å²	154	127.6 Å²	127.6	82%	0.824	74%	0.739	S	S	*	*			trans	-77.4	117.8	153.8	-84.6	-14.6	0	0	0	107.9	S495 T499	S495-N497 PolarHBondContact O-N 2.84Å; S495-N497 VanDerWaalsContact O-N 3.08Å; N497-T499 PolarHBondContact O-N 3.38Å
498	N	27.4	Very low	28.3	Very low	148 Å²	148	128.8 Å²	128.8	79%	0.791	74%	0.742	S	S	*	*			trans	-66.1	120.5	-174.5	-73.4	-40.1	0	0	0	112.8
499	T	30.5	Very low	28.5	Very low	137 Å²	137	134.1 Å²	134.1	84%	0.84	76%	0.76	S	S	*	*			trans	-142.7	114.6	145.3	44.4	0	0	0	0	109.6	N497	N497-T499 PolarHBondContact O-N 3.38Å
500	H	27.9	Very low	28.7	Very low	185 Å²	185	135.1 Å²	135.1	86%	0.856	76%	0.757	S	S	*	*			trans	-60.5	136.5	174.1	-95.4	-86.8	0	0	0	111.5
501	G	28.1	Very low	28.8	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	76%	0.756	S	S	*	*			trans	-149.6	82.6	173.4	0	0	0	0	0	111.2
502	I	27.3	Very low	29.1	Very low	140 Å²	140	136 Å²	136	72%	0.718	76%	0.755	S	S	*	*			trans	-79	121.8	177.9	-63.3	169.5	0	0	0	109.1
503	M	27.9	Very low	29.3	Very low	172 Å²	172	137.6 Å²	137.6	85%	0.847	76%	0.755	S	S	*	*			trans	-117.3	88.8	158.8	-79.3	-169.2	75.5	0	0	110.1
504	S	30.3	Very low	29.7	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	74%	0.743	S	S	*	*			trans	-105.9	116.3	156.9	-63.9	0	0	0	0	107.6	S506	S504-S506 PolarHBondContact O-N 2.91Å
505	N	30.7	Very low	30	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	74%	0.743	S	S	*	*			trans	-67.1	105.5	174.4	-78.2	-22.4	0	0	0	109.2
506	S	31	Very low	30.5	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	74%	0.742	S	S	*	*			trans	-120.8	136.6	169.4	-165.3	0	0	0	0	109.4	S504	S504-S506 PolarHBondContact O-N 2.91Å
507	I	30.4	Very low	30.7	Very low	146 Å²	146	136.5 Å²	136.5	75%	0.749	74%	0.737	S	S	*	*			trans	-109.1	132.1	-180	-77.6	175.8	0	0	0	109
508	N	31.5	Very low	30.7	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	74%	0.735	S	S	*	*			trans	80.7	110.9	167.5	-66.7	-32	0	0	0	120.1
509	K	31.9	Very low	31	Very low	170 Å²	170	134.9 Å²	134.9	74%	0.739	74%	0.735	S	S	*	*				67.3	140.5	120.9	-62.5	-174.1	173.4	-168.4	0	119.1
510	D	30.7	Very low	30.9	Very low	119 Å²	119	133.7 Å²	133.7	64%	0.636	73%	0.732	S	S	*	*			cis	-168.1	155.5	-4.3	-101.6	-26.9	0	0	0	107.6
511	I	30.1	Very low	31.1	Very low	141 Å²	141	134.2 Å²	134.2	72%	0.723	74%	0.735	S	S	*	*			trans	67.9	136.5	150.5	-67.6	164.1	0	0	0	117.6
512	M	31.4	Very low	31.1	Very low	149 Å²	149	138.9 Å²	138.9	73%	0.734	74%	0.739	S	S	*	*			cis	-169	153.1	-7.1	-109.3	-178.8	-174.4	0	0	111.6
513	I	32.7	Very low	31.2	Very low	123 Å²	123	140.2 Å²	140.2	63%	0.631	75%	0.748	S	S	*	*			trans	76.6	109.9	137.1	-68.5	171.7	0	0	0	122.2
514	N	32.8	Very low	31.1	Very low	124 Å²	124	138.5 Å²	138.5	66%	0.663	75%	0.747	S	S	*	*				54.1	154.5	123.5	-52.5	-0.2	0	0	0	122.5
515	N	32.4	Very low	30.9	Very low	115 Å²	115	140 Å²	140	62%	0.615	76%	0.756	S	S	*	*			cis	-171.3	170.6	-16.4	-98.6	-8.6	0	0	0	109.1
516	H	35.9	Very low	30.8	Very low	154 Å²	154	137.7 Å²	137.7	71%	0.713	75%	0.748	S	S	*	*			trans	71.6	146.3	160	-61.5	-63.7	0	0	0	118.3
517	D	33.3	Very low	30.7	Very low	120 Å²	120	138.8 Å²	138.8	64%	0.642	75%	0.753	S	S	*	*			cis	-165.7	162.4	-20.7	-111.5	-1.5	0	0	0	111.7
518	N	30.8	Very low	30.6	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	75%	0.749	S	S	*	*			trans	65.8	123.1	154.1	-67.1	-33.6	0	0	0	121.8
519	P	33.2	Very low	30.4	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	76%	0.758	S	S	*	*			trans	-109.4	142.2	164.5	37.6	-27.8	0	0	0	113.4
520	S	29.4	Very low	30.2	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	76%	0.762	S	S	*	*			trans	-170	121.7	154.9	55.9	0	0	0	0	111.1
521	E	31.5	Very low	30.1	Very low	196 Å²	196	137 Å²	137	92%	0.916	77%	0.768	S	S	*	*				-174.9	148.9	120.4	-103.5	175.6	-176.1	0	0	111.9
522	M	28.4	Very low	30.1	Very low	173 Å²	173	139.7 Å²	139.7	85%	0.852	77%	0.774	S	S	*	*			trans	-77.2	152	177.9	-62.5	171.9	172.6	0	0	110.6
523	N	30.2	Very low	29.9	Very low	167 Å²	167	139.4 Å²	139.4	89%	0.893	78%	0.776	S	S	*	*				-158.1	129.1	129.1	-100.2	-42.9	0	0	0	111.9
524	T	25.6	Very low	29.8	Very low	136 Å²	136	139.5 Å²	139.5	83%	0.834	79%	0.787	S	S	*	*			trans	-84	140.9	175.3	46.9	0	0	0	0	110.9
525	C	25.8	Very low	29.5	Very low	130 Å²	130	142.5 Å²	142.5	88%	0.878	80%	0.797	S	S	*	*			trans	-146.9	149.8	155.3	-152.8	0	0	0	0	111.6
526	T	28.1	Very low	29.5	Very low	110 Å²	110	143 Å²	143	68%	0.675	81%	0.81	S	S	*	*			trans	-85.9	150.3	-168.8	46.2	0	0	0	0	113.3
527	P	28.6	Very low	29.1	Very low	136 Å²	136	142 Å²	142	88%	0.883	82%	0.815	S	S	*	*			trans	-81.6	117.5	160.6	32.5	-28.3	0	0	0	109.7
528	S	29.3	Very low	28.9	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	82%	0.819	S	S	*	*			trans	-139	149.1	172.5	52	0	0	0	0	110
529	D	25.9	Very low	28.7	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	82%	0.817	S	S	*	*			trans	-65	143.7	-156.6	-55.2	-83.3	0	0	0	116.5
530	S	29	Very low	28.5	Very low	118 Å²	118	141.6 Å²	141.6	83%	0.825	81%	0.809	S	S	*	*			trans	-145.2	96.5	156.1	67.2	0	0	0	0	111.2
531	I	27.2	Very low	28.4	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	81%	0.806	S	S	*	*			trans	-59.5	133.9	168.9	-65.8	161.9	0	0	0	110
532	K	30.9	Very low	28.3	Very low	196 Å²	196	142 Å²	142	85%	0.852	80%	0.8	S	S	*	*			trans	-167.5	106	147.4	-108	158.2	-170.3	-179.5	0	113.2
533	N	27.3	Very low	28.2	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	79%	0.79	S	S	*	*			trans	32.6	111	142.8	-54.5	6.3	0	0	0	119.5
534	S	31	Very low	28.2	Very low	125 Å²	125	137.7 Å²	137.7	87%	0.874	78%	0.781	S	S	*	*			trans	-137.3	109.4	137.6	52.5	0	0	0	0	109.8
535	E	26.7	Very low	28.3	Very low	187 Å²	187	137 Å²	137	87%	0.874	78%	0.777	S	S	*	*			trans	-78.6	135.3	175.1	-63.6	173.7	132.7	0	0	109.8
536	S	31.1	Very low	28.7	Very low	125 Å²	125	139.5 Å²	139.5	87%	0.874	78%	0.775	S	S	*	*			trans	-149.4	107.4	162.5	-171.4	0	0	0	0	109.7
537	T	28.2	Very low	28.9	Very low	133 Å²	133	140.4 Å²	140.4	82%	0.816	78%	0.783	S	S	*	*			trans	-84	133.2	-166.8	-52.5	0	0	0	0	111.6
538	G	28.5	Very low	29	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	78%	0.777	S	S	*	*			trans	-171.5	43.9	-177.8	0	0	0	0	0	114.7
539	M	27.1	Very low	29	Very low	151 Å²	151	142.3 Å²	142.3	74%	0.744	79%	0.789	S	S	*	*			trans	-83.6	122	176.4	-91.7	-88.1	-76.3	0	0	111.4	L541	M539-L541 HydrophobicContact CE-CB 4.26Å
540	Y	29.9	Very low	29	Very low	158 Å²	158	142.3 Å²	142.3	62%	0.62	79%	0.787	S	S	*	*			trans	-129.7	95.6	155.5	-77.8	-73.9	0	0	0	109.4	P88	P88-Y540 VanDerWaalsContact CB-OH 3.32Å; P88-Y540 WeakPolarHBondContact CB-OH 3.29Å; P88-Y540 WeakPolarHBondContact CG-OH 3.23Å; P88-Y540 PolarHBondContact O-OH 3.5Å
541	L	25.8	Very low	29	Very low	138 Å²	138	144.3 Å²	144.3	72%	0.723	79%	0.787	S	S	*	*			trans	-104.7	100.7	170.7	-174	80	0	0	0	107.2	M539 K543	M539-L541 HydrophobicContact CE-CB 4.26Å; L541-K543 PolarHBondContact O-N 2.9Å
542	F	29.4	Very low	29.1	Very low	179 Å²	179	146 Å²	146	79%	0.785	79%	0.792	S	S	*	*			trans	-83.7	107.9	169.4	-95	-84.1	0	0	0	109.1
543	K	27.4	Very low	28.7	Very low	148 Å²	148	142.8 Å²	142.8	64%	0.643	79%	0.789	S	S	*	*			trans	-105.8	111.5	169	-164.9	178.9	-172.5	-176.8	0	107.1	L541 V545	L541-K543 PolarHBondContact O-N 2.9Å; K543-V545 PolarHBondContact O-N 3.06Å
544	S	28.6	Very low	28.7	Very low	100 Å²	100	143 Å²	143	70%	0.699	80%	0.795	S	S	*	*			trans	-63.9	130.3	172.9	-56.8	0	0	0	0	109.4
545	V	29.3	Very low	28.4	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	79%	0.788	S	S	*	*			trans	-134.3	125.2	173.6	178	0	0	0	0	107.1	K543	K543-V545 PolarHBondContact O-N 3.06Å
546	E	34	Very low	28.3	Very low	181 Å²	181	140.5 Å²	140.5	85%	0.846	79%	0.788	S	S	*	*			trans	-73.6	144.7	175.6	-61.2	-176.9	153.4	0	0	110.5
547	P	31.1	Very low	28	Very low	129 Å²	129	140.3 Å²	140.3	84%	0.838	78%	0.782	S	S	*	*			trans	-89.4	120.4	178.3	33	-30.7	0	0	0	111.9
548	G	30.4	Very low	27.9	Very low	73 Å²	73	140.4 Å²	140.4	75%	0.753	78%	0.782	S	S	*	*			trans	153.7	83.8	161.4	0	0	0	0	0	117
549	E	31.2	Very low	27.7	Very low	200 Å²	200	142.8 Å²	142.8	94%	0.935	78%	0.783	S	S	*	*			trans	-171.7	144.4	137.6	-108.8	177.3	-179.3	0	0	110.7
550	I	25.2	Very low	27.7	Very low	161 Å²	161	144 Å²	144	83%	0.826	79%	0.791	S	S	*	*			trans	-120	112.8	-167	-60.5	167.7	0	0	0	110.6
551	I	29.4	Very low	27.6	Very low	161 Å²	161	141.8 Å²	141.8	83%	0.826	80%	0.795	S	S	*	*			trans	-142.5	112.5	160.2	-56	-176.4	0	0	0	112.7
552	Q	28.4	Very low	27.8	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	80%	0.799	S	S	*	*			trans	29	138.7	150	-63.8	-177.4	-16.9	0	0	124.2
553	T	23.1	Very low	27.8	Very low	128 Å²	128	140.4 Å²	140.4	79%	0.785	80%	0.796	S	S	*	*			trans	-95.5	144.7	-176.6	-33.1	0	0	0	0	114.2
554	T	27.4	Very low	28.2	Very low	147 Å²	147	141.3 Å²	141.3	90%	0.902	81%	0.806	S	S	*	*			trans	-147.3	140.7	149.3	-37.8	0	0	0	0	111.7
555	T	23.9	Very low	28.2	Very low	116 Å²	116	144.1 Å²	144.1	71%	0.712	81%	0.813	S	S	*	*			trans	-107.9	143.5	-172.4	-29.2	0	0	0	0	112.2
556	T	25.7	Very low	28.4	Very low	144 Å²	144	142.1 Å²	142.1	88%	0.883	82%	0.817	S	S	*	*			trans	-150.4	136	158.8	10.3	0	0	0	0	112.6
557	T	23.4	Very low	28.2	Very low	121 Å²	121	140.9 Å²	140.9	74%	0.742	82%	0.816	S	S	*	*			trans	-103.2	150	179.8	-46.3	0	0	0	0	110.1
558	T	27.8	Very low	28.1	Very low	135 Å²	135	141.4 Å²	141.4	83%	0.828	82%	0.817	S	S	*	*			trans	-145.1	129.4	161.8	-45	0	0	0	0	111.4
559	T	23.7	Very low	27.9	Very low	121 Å²	121	143.2 Å²	143.2	74%	0.742	81%	0.814	S	S	*	*			trans	-114.4	141	176	47.4	0	0	0	0	109.7
560	L	26.9	Very low	27.7	Very low	176 Å²	176	141.9 Å²	141.9	92%	0.921	81%	0.812	S	S	*	*			trans	-139.6	130.8	159.4	-86	172.9	0	0	0	110.2
561	T	26.5	Very low	27.9	Very low	112 Å²	112	137.8 Å²	137.8	69%	0.687	81%	0.809	S	S	*	*			trans	-104.8	161.1	172.8	48.3	0	0	0	0	109.5
562	D	31.1	Very low	27.7	Very low	154 Å²	154	136.9 Å²	136.9	82%	0.824	81%	0.811	S	S	*	*				-168.4	157.2	127.9	-95.8	-18.4	0	0	0	112.7
563	N	29	Very low	27.9	Very low	133 Å²	133	134.8 Å²	134.8	71%	0.711	81%	0.811	S	S	*	*			trans	-98	175	-163	-54.6	-56.1	0	0	0	113.8
564	I	35.3	Very low	28.1	Very low	167 Å²	167	132 Å²	132	86%	0.856	81%	0.808	S	S	*	*				-179.1	139.6	115.6	-89.2	154.3	0	0	0	110.9
565	D	29.7	Very low	28.2	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	81%	0.808	S	S	*	*			trans	-85.8	173.6	-170.7	-56.6	-72.2	0	0	0	116.1
566	G	33.9	Very low	28.3	Very low	80 Å²	80	132.7 Å²	132.7	83%	0.825	81%	0.81	S	S	*	*			trans	-177.9	83.2	168.1	0	0	0	0	0	115.4
567	D	28.3	Very low	28.6	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	81%	0.807	S	S	*	*			trans	-72.9	146.6	175.5	-110	-29.9	0	0	0	113.9
568	T	29.8	Very low	28.9	Very low	140 Å²	140	130.5 Å²	130.5	86%	0.859	81%	0.805	S	S	*	*			trans	-160.3	132.5	144.7	-53.3	0	0	0	0	111.4
569	T	26.9	Very low	28.9	Very low	112 Å²	112	128.8 Å²	128.8	69%	0.687	80%	0.799	S	S	*	*			trans	-124.7	171.4	175.8	48	0	0	0	0	112.4
570	I	26.5	Very low	29.3	Very low	172 Å²	172	130.9 Å²	130.9	88%	0.882	81%	0.805	S	S	*	*			trans	93.8	128	163.8	-52.3	165.6	0	0	0	117.1
571	G	29.6	Very low	29.2	Very low	74 Å²	74	129 Å²	129	76%	0.763	80%	0.795	S	S	*	*			trans	165.7	101.6	163.3	0	0	0	0	0	113.9
572	V	25.6	Very low	29.5	Very low	143 Å²	143	129.7 Å²	129.7	87%	0.867	80%	0.801	S	S	*	*			trans	-114.3	125.6	-179.7	171.8	0	0	0	0	111.2
573	T	31.6	Very low	29.3	Very low	141 Å²	141	129.8 Å²	129.8	87%	0.865	80%	0.796	S	S	*	*			trans	-179.7	141	149.3	41	0	0	0	0	106.8
574	G	26.7	Very low	29.3	Very low	70 Å²	70	129.9 Å²	129.9	72%	0.722	80%	0.802	S	S	*	*			cis	111.9	80.6	12	0	0	0	0	0	110.7
575	D	30.5	Very low	28.9	Very low	170 Å²	170	128.5 Å²	128.5	91%	0.909	80%	0.795	S	S	*	*			trans	-151.6	148.5	169.7	-117.6	-28.2	0	0	0	113
576	S	26	Very low	28.8	Very low	107 Å²	107	128 Å²	128	75%	0.748	79%	0.792	S	S	*	*			trans	-144.7	127.9	-174.1	57	0	0	0	0	113.7
577	S	31.1	Very low	28.3	Very low	119 Å²	119	129.3 Å²	129.3	83%	0.832	79%	0.789	S	S	*	*			trans	153.1	153.3	169.8	41.1	0	0	0	0	108.3
578	S	30.1	Very low	28.2	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	78%	0.783	S	S	*	*			cis	-160	144.8	-10.2	46.6	0	0	0	0	110
579	S	28.4	Very low	27.9	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	78%	0.779	S	S	*	*			trans	17.8	127.2	152.3	58.6	0	0	0	0	121.1
580	N	31.3	Very low	27.8	Very low	164 Å²	164	127 Å²	127	88%	0.877	78%	0.78	S	S	*	*				-154.8	128.7	124.3	-98.9	-33.8	0	0	0	111.9
581	I	26.1	Very low	27.8	Very low	138 Å²	138	124.1 Å²	124.1	71%	0.708	77%	0.771	S	S	*	*			trans	-118	143.2	170.6	-57.3	163.3	0	0	0	105.5
582	P	31.1	Very low	27.6	Very low	126 Å²	126	127.8 Å²	127.8	82%	0.818	77%	0.771	S	S	*	*				-131.6	146.6	116	7.6	13.5	0	0	0	113.5
583	H	28.7	Very low	27.7	Very low	155 Å²	155	122.9 Å²	122.9	72%	0.718	75%	0.75	S	S	*	*			trans	-59	148.3	170.4	-62	-97.1	0	0	0	112.4
584	T	28.8	Very low	27.5	Very low	136 Å²	136	121.7 Å²	121.7	83%	0.834	75%	0.747	S	S	*	*			trans	-139.2	124.9	137	-61.1	0	0	0	0	109.1
585	I	25.5	Very low	27.4	Very low	137 Å²	137	122.6 Å²	122.6	70%	0.703	74%	0.739	S	S	*	*			trans	-79.2	128.1	178.7	-66.3	160.1	0	0	0	108
586	N	27.7	Very low	27.4	Very low	149 Å²	149	120.5 Å²	120.5	80%	0.797	73%	0.732	S	S	*	*			trans	-147.5	111	153	-104.9	-25.1	0	0	0	110.2	T588	N586-T588 PolarHBondContact O-N 3.05Å; N586-T588 VanDerWaalsContact O-N 3.14Å
587	S	23.1	Very low	27.6	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	73%	0.728	S	S	*	*			trans	-70.6	101.6	178.2	-59.6	0	0	0	0	110.5
588	T	26.4	Very low	27.6	Very low	115 Å²	115	121.4 Å²	121.4	71%	0.706	72%	0.717	S	S	*	*			trans	-104.4	90.2	169.5	-40.5	0	0	0	0	109.5	N586 V590	N586-T588 PolarHBondContact O-N 3.05Å; N586-T588 VanDerWaalsContact O-N 3.14Å; T588-V590 VanDerWaalsContact C-N 3.31Å; T588-V590 HydrophobicContact CG2-CG2 4.25Å; T588-V590 PolarHBondContact O-N 3.05Å
589	T	24.3	Very low	27.7	Very low	124 Å²	124	124.1 Å²	124.1	76%	0.761	72%	0.716	S	S	*	*			trans	-65.3	89.6	170.6	-51.9	0	0	0	0	109.3	T591	T589-T591 VanDerWaalsContact C-N 3.27Å; T589-T591 PolarHBondContact O-N 2.9Å
590	V	25.5	Very low	27.9	Very low	120 Å²	120	123 Å²	123	73%	0.727	71%	0.708	S	S	*	*			trans	-75.8	87.7	171.5	-178.5	0	0	0	0	108.2	T588 I592	T588-V590 VanDerWaalsContact C-N 3.31Å; T588-V590 HydrophobicContact CG2-CG2 4.25Å; T588-V590 PolarHBondContact O-N 3.05Å; V590-I592 PolarHBondContact O-N 2.97Å
591	T	25.7	Very low	27.9	Very low	111 Å²	111	119.9 Å²	119.9	68%	0.681	69%	0.691	S	S	*	*			trans	-55.6	109.4	172.2	-56	0	0	0	0	109.7	T589 G593	T589-T591 VanDerWaalsContact C-N 3.27Å; T589-T591 PolarHBondContact O-N 2.9Å; T591-G593 PolarHBondContact O-N 3.32Å
592	I	26.3	Very low	28.3	Very low	151 Å²	151	116.6 Å²	116.6	77%	0.774	68%	0.68	S	S	*	*			trans	-69.1	82.9	166.9	-60.3	177.6	0	0	0	107.1	V590 S594	V590-I592 PolarHBondContact O-N 2.97Å; I592-S594 PolarHBondContact O-N 3.41Å
593	G	25.9	Very low	28.5	Very low	40 Å²	40	117.7 Å²	117.7	41%	0.412	67%	0.672	S	S	.	*			trans	-79.4	99.7	-165.5	0	0	0	0	0	113.3	T591 T595	T591-G593 PolarHBondContact O-N 3.32Å; G593-T595 PolarHBondContact O-N 3.05Å; G593-T595 PolarHBondContact O-OG1 3.01Å
594	S	27.4	Very low	28.7	Very low	116 Å²	116	114.1 Å²	114.1	81%	0.811	66%	0.657	S	S	*	*			trans	-62	72.5	169.5	49.9	0	0	0	0	112.9	I592	I592-S594 PolarHBondContact O-N 3.41Å
595	T	26.5	Very low	28.9	Very low	88 Å²	88	111 Å²	111	54%	0.54	64%	0.641	S	S	.	*			trans	-125.2	-1.7	-168.8	49.8	0	0	0	0	115.8	G593 M597	G593-T595 PolarHBondContact O-N 3.05Å; G593-T595 PolarHBondContact O-OG1 3.01Å; T595-M597 PolarHBondContact O-N 3.25Å
596	T	28.7	Very low	29.2	Very low	127 Å²	127	107.5 Å²	107.5	78%	0.779	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-17.6	-176.7	-34.3	0	0	0	0	114.4
597	M	31	Very low	29.5	Very low	133 Å²	133	102.8 Å²	102.8	66%	0.655	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-25.1	176.4	-78.4	-166.3	-83.1	0	0	114.8	T595 S600	T595-M597 PolarHBondContact O-N 3.25Å; M597-S600 PolarHBondContact O-N 2.79Å
598	N	31	Very low	30	Very low	112 Å²	112	102.8 Å²	102.8	60%	0.599	60%	0.599	S	S	*	*	H	α-helix	trans	-76.9	-25.1	-176.6	-77.1	-25.1	0	0	0	114.1	S600 S602	N598-S600 VanDerWaalsContact C-N 3.3Å; N598-S600 PolarHBondContact O-N 3.12Å; N598-S602 PolarHBondContact O-N 3.2Å; N598-S602 PolarHBondContact O-OG 2.88Å
599	K	32	Very low	30.3	Very low	157 Å²	157	100.6 Å²	100.6	68%	0.683	59%	0.588	S	S	*	*	H	α-helix	trans	-73.2	-18.9	175.1	-72.5	-179.1	178.1	174.9	0	113.9	S602 K603	K599-S602 PolarHBondContact O-OG 3.41Å; K599-K603 WeakPolarHBondContact O-CG 3.33Å
600	S	32.6	Very low	30.8	Very low	74 Å²	74	99.1 Å²	99.1	52%	0.517	58%	0.579	S	S	.	*	H	α-helix	trans	-82.1	-36.3	175.9	-59.2	0	0	0	0	111.8	M597 N598 L604	M597-S600 PolarHBondContact O-N 2.79Å; N598-S600 VanDerWaalsContact C-N 3.3Å; N598-S600 PolarHBondContact O-N 3.12Å; S600-L604 PolarHBondContact O-N 3.02Å; S600-L604 VanDerWaalsContact O-N 3.16Å
601	L	32.2	Very low	31	Very low	100 Å²	100	99.1 Å²	99.1	52%	0.524	57%	0.574	S	S	.	*	H	α-helix	trans	-72	-37.7	176.1	-76.5	163.7	0	0	0	112.6	L604 S605	L601-L604 PolarHBondContact O-N 2.81Å; L601-S605 PolarHBondContact O-N 3.37Å
602	S	33.2	Very low	31.3	Very low	68 Å²	68	98.7 Å²	98.7	48%	0.476	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-37.9	174.3	62.4	0	0	0	0	112.6	N598 K599 S605 S606	N598-S602 PolarHBondContact O-N 3.2Å; N598-S602 PolarHBondContact O-OG 2.88Å; K599-S602 PolarHBondContact O-OG 3.41Å; S602-S605 PolarHBondContact O-N 2.92Å; S602-S606 PolarHBondContact O-N 3.32Å; S602-S606 PolarHBondContact O-OG 2.88Å
603	K	36.4	Very low	31.5	Very low	149 Å²	149	98.6 Å²	98.6	65%	0.648	58%	0.576	S	S	*	*	H	α-helix	trans	-62.8	-41.2	172.2	-77.2	-176.9	176.3	-174.3	0	112.6	K599 S606 S607	K599-K603 WeakPolarHBondContact O-CG 3.33Å; K603-S606 WeakPolarHBondContact CA-OG 3.27Å; K603-S606 PolarHBondContact O-N 3.23Å; K603-S606 PolarHBondContact O-OG 3.48Å; K603-S607 WeakPolarHBondContact O-CB 3.44Å; K603-S607 PolarHBondContact O-N 2.99Å; K603-S607 PolarHBondContact O-OG 3.02Å
604	L	32.2	Very low	31.7	Very low	80 Å²	80	106 Å²	106	42%	0.419	60%	0.597	S	S	.	*	H	α-helix	trans	-64.4	-42	173.8	-77.1	163.9	0	0	0	112.4	S600 L601 S607 L608	S600-L604 PolarHBondContact O-N 3.02Å; S600-L604 VanDerWaalsContact O-N 3.16Å; L601-L604 PolarHBondContact O-N 2.81Å; L604-S607 PolarHBondContact O-N 3.38Å; L604-L608 PolarHBondContact O-N 2.85Å
605	S	32.3	Very low	31.8	Very low	71 Å²	71	108.6 Å²	108.6	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-60.7	-48.6	174.9	176.8	0	0	0	0	111.9	L601 S602 S607 L608 S609	L601-S605 PolarHBondContact O-N 3.37Å; S602-S605 PolarHBondContact O-N 2.92Å; S605-S607 VanDerWaalsContact C-N 3.33Å; S605-S607 PolarHBondContact O-N 3.13Å; S605-L608 PolarHBondContact O-N 3.2Å; S605-S609 PolarHBondContact O-N 3.42Å; S605-S609 PolarHBondContact O-OG 3.36Å
606	S	33.5	Very low	31.9	Very low	63 Å²	63	112.3 Å²	112.3	44%	0.441	62%	0.615	S	S	.	*	H	α-helix	trans	-63.7	-34.1	176.4	60.5	0	0	0	0	113.6	S602 K603 S609 T610	S602-S606 PolarHBondContact O-N 3.32Å; S602-S606 PolarHBondContact O-OG 2.88Å; K603-S606 WeakPolarHBondContact CA-OG 3.27Å; K603-S606 PolarHBondContact O-N 3.23Å; K603-S606 PolarHBondContact O-OG 3.48Å; S606-S609 PolarHBondContact O-N 3.47Å; S606-T610 PolarHBondContact O-N 3.14Å; S606-T610 PolarHBondContact O-OG1 3.37Å; S606-T610 VanDerWaalsContact O-OG1 3.13Å
607	S	33.3	Very low	31.9	Very low	50 Å²	50	112 Å²	112	35%	0.35	62%	0.617	S	S	.	*	H	α-helix	trans	-67.7	-35.3	175.2	-58.9	0	0	0	0	112.4	K603 L604 S605 T610 L611	K603-S607 WeakPolarHBondContact O-CB 3.44Å; K603-S607 PolarHBondContact O-N 2.99Å; K603-S607 PolarHBondContact O-OG 3.02Å; L604-S607 PolarHBondContact O-N 3.38Å; S605-S607 VanDerWaalsContact C-N 3.33Å; S605-S607 PolarHBondContact O-N 3.13Å; S607-T610 WeakPolarHBondContact CA-OG1 3.44Å; S607-T610 PolarHBondContact O-OG1 2.69Å; S607-L611 PolarHBondContact O-N 2.93Å
608	L	33.3	Very low	31.7	Very low	109 Å²	109	113.7 Å²	113.7	57%	0.571	63%	0.629	S	S	*	*	H	α-helix	trans	-68.9	-41.7	173	-80.2	158.1	0	0	0	111.6	L604 S605 T610 L611 S612	L604-L608 PolarHBondContact O-N 2.85Å; S605-L608 PolarHBondContact O-N 3.2Å; L608-T610 VanDerWaalsContact C-N 3.33Å; L608-T610 PolarHBondContact O-N 2.94Å; L608-L611 PolarHBondContact O-N 2.93Å; L608-S612 PolarHBondContact O-N 3.47Å
609	S	32.1	Very low	31.7	Very low	69 Å²	69	115 Å²	115	48%	0.483	64%	0.641	S	S	.	*	H	α-helix	trans	-62.7	-35.9	175.2	-59	0	0	0	0	113.1	S605 S606 S612	S605-S609 PolarHBondContact O-N 3.42Å; S605-S609 PolarHBondContact O-OG 3.36Å; S606-S609 PolarHBondContact O-N 3.47Å; S609-S612 PolarHBondContact O-N 3.33Å
610	T	35.4	Very low	31.4	Very low	93 Å²	93	114.5 Å²	114.5	57%	0.571	65%	0.646	S	S	*	*	H	α-helix	trans	-73.7	-21.8	177.6	46.5	0	0	0	0	114.7	S606 S607 L608 S612	S606-T610 PolarHBondContact O-N 3.14Å; S606-T610 PolarHBondContact O-OG1 3.37Å; S606-T610 VanDerWaalsContact O-OG1 3.13Å; S607-T610 WeakPolarHBondContact CA-OG1 3.44Å; S607-T610 PolarHBondContact O-OG1 2.69Å; L608-T610 VanDerWaalsContact C-N 3.33Å; L608-T610 PolarHBondContact O-N 2.94Å; T610-S612 VanDerWaalsContact C-N 3.33Å
611	L	30.2	Very low	31.2	Very low	120 Å²	120	116.8 Å²	116.8	63%	0.628	66%	0.657	S	S	*	*	H	α-helix	trans	-73.8	-26.5	171.4	-90.5	154.6	0	0	0	112.2	S607 L608 L613	S607-L611 PolarHBondContact O-N 2.93Å; L608-L611 PolarHBondContact O-N 2.93Å; L611-L613 VanDerWaalsContact C-N 3.32Å; L611-L613 PolarHBondContact O-N 3.39Å
612	S	31.5	Very low	31	Very low	102 Å²	102	118.6 Å²	118.6	71%	0.713	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-3.7	-179.7	-166.4	0	0	0	0	114.9	L608 S609 T610	L608-S612 PolarHBondContact O-N 3.47Å; S609-S612 PolarHBondContact O-N 3.33Å; T610-S612 VanDerWaalsContact C-N 3.33Å
613	L	30.5	Very low	30.7	Very low	149 Å²	149	123.5 Å²	123.5	78%	0.78	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	11.9	-173	-73.7	171.6	0	0	0	114.6	L611	L611-L613 VanDerWaalsContact C-N 3.32Å; L611-L613 PolarHBondContact O-N 3.39Å
614	K	29.8	Very low	30.4	Very low	195 Å²	195	124.1 Å²	124.1	85%	0.848	69%	0.693	S	S	*	*	S	Bend	trans	-111.4	14	177.6	-107.8	172.3	-179.9	172.7	0	115.2
615	M	30.1	Very low	30.2	Very low	172 Å²	172	125.7 Å²	125.7	85%	0.847	71%	0.706	S	S	*	*	S	Bend	trans	-127.6	73.3	173.1	-64.9	-144.4	-168.4	0	0	111.1
616	N	27.9	Very low	30.2	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	72%	0.719	S	S	*	*			trans	178.9	85.1	155.8	-95.7	-21.9	0	0	0	112
617	S	29.7	Very low	30.1	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	73%	0.732	S	S	*	*			trans	-172.5	96.1	158.7	33.9	0	0	0	0	110.9
618	N	26.2	Very low	30.1	Very low	169 Å²	169	136.2 Å²	136.2	90%	0.904	75%	0.748	S	S	*	*			trans	-155.8	83	171.5	-118.9	-10.7	0	0	0	109.9
619	V	31.1	Very low	30.1	Very low	141 Å²	141	136.6 Å²	136.6	86%	0.855	75%	0.75	S	S	*	*			trans	-143.1	136.8	164	-178.3	0	0	0	0	109.1
620	N	26.4	Very low	30.3	Very low	145 Å²	145	139.1 Å²	139.1	78%	0.775	76%	0.758	S	S	*	*			trans	-38.4	159.1	174.5	-56.5	-22.3	0	0	0	115.3
621	V	27.4	Very low	30.2	Very low	123 Å²	123	140.2 Å²	140.2	75%	0.745	76%	0.761	S	S	*	*				-171.8	141.8	79.3	154.3	0	0	0	0	112.5
622	N	29.3	Very low	30.4	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	76%	0.762	S	S	*	*			trans	43.2	122.4	157	-62.9	9.4	0	0	0	124.3
623	E	25.3	Very low	30.6	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	76%	0.758	S	S	*	*				-3	131.3	126.9	-58.3	171.7	151.4	0	0	118.6
624	N	30.5	Very low	30.8	Very low	162 Å²	162	140 Å²	140	87%	0.866	75%	0.753	S	S	*	*				-163.6	154.2	108	-109	-36	0	0	0	113.8
625	T	28.6	Very low	30.9	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.693	74%	0.743	S	S	*	*			trans	-90.2	149.5	-173.8	47.6	0	0	0	0	113.9
626	N	32.1	Very low	31	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	73%	0.734	S	S	*	*				-177.2	123.8	119.1	-96.6	-20.9	0	0	0	115.6
627	N	31.4	Very low	30.9	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	73%	0.725	S	S	*	*			trans	14	133.9	133.3	-70	0.5	0	0	0	120.7
628	N	34.1	Very low	30.8	Very low	128 Å²	128	133.3 Å²	133.3	68%	0.684	72%	0.719	S	S	*	*				179.9	126.8	94.7	-98.2	-26.4	0	0	0	113.8
629	N	33.4	Very low	30.7	Very low	116 Å²	116	131.4 Å²	131.4	62%	0.62	71%	0.708	S	S	*	*				76	122.1	122.3	-65.7	-1.1	0	0	0	123.9
630	N	34.8	Very low	30.4	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	70%	0.702	S	S	*	*				84.6	147.3	127.2	-64.2	10.2	0	0	0	118.2
631	N	33.9	Very low	30.5	Very low	116 Å²	116	131.6 Å²	131.6	62%	0.62	70%	0.698	S	S	*	*			cis	-169.6	153.6	-11	-109.3	4.6	0	0	0	108.2
632	N	34.9	Very low	30.6	Very low	121 Å²	121	134.4 Å²	134.4	65%	0.647	70%	0.7	S	S	*	*			trans	62.9	158.8	145	-62.6	39.2	0	0	0	118.9
633	D	35.1	Very low	30.6	Very low	119 Å²	119	132.2 Å²	132.2	64%	0.636	70%	0.696	S	S	*	*			cis	-162.7	163	-20.1	-95.2	-17.5	0	0	0	108.6
634	D	34.7	Very low	30.9	Very low	126 Å²	126	129.7 Å²	129.7	67%	0.674	70%	0.697	S	S	*	*			trans	63.9	111.5	140	-73.2	4.3	0	0	0	125.2
635	N	31.8	Very low	31	Very low	118 Å²	118	125.2 Å²	125.2	63%	0.631	69%	0.689	S	S	*	*				68.8	133.2	109.7	-62.5	-34.8	0	0	0	124.2
636	N	32	Very low	31.2	Very low	126 Å²	126	127.6 Å²	127.6	67%	0.674	70%	0.698	S	S	*	*			trans	79	108	133.3	-71.3	-16.6	0	0	0	123.1
637	I	26.9	Very low	31	Very low	135 Å²	135	124.3 Å²	124.3	69%	0.692	69%	0.686	S	S	*	*				63.3	134.9	107.7	-67.7	171.6	0	0	0	120.2
638	N	26.9	Very low	31.1	Very low	132 Å²	132	126.2 Å²	126.2	71%	0.706	69%	0.69	S	S	*	*			trans	97	113.6	148.4	-85	-6.7	0	0	0	124.2
639	I	25.3	Very low	30.9	Very low	129 Å²	129	125.2 Å²	125.2	66%	0.662	69%	0.689	S	S	*	*				77.9	120.4	113.9	-71.2	175.8	0	0	0	122.4
640	M	24.8	Very low	30.7	Very low	150 Å²	150	124.9 Å²	124.9	74%	0.739	69%	0.691	S	S	*	*			trans	85.9	157	139.9	-107.9	166.3	24.7	0	0	125.2
641	M	26.6	Very low	30.4	Very low	141 Å²	141	126.4 Å²	126.4	70%	0.695	70%	0.696	S	S	*	*			trans	75.4	141.6	157	-62	-104.3	-177.1	0	0	114.9
642	K	29.6	Very low	30.4	Very low	181 Å²	181	125.4 Å²	125.4	79%	0.787	70%	0.698	S	S	*	*			cis	-160.2	169.7	7.8	-101	153.7	-177.9	178.2	0	107.1
643	S	31.1	Very low	30.4	Very low	92 Å²	92	126.9 Å²	126.9	64%	0.643	70%	0.704	S	S	*	*			cis	-174.6	175.4	-18.5	54.5	0	0	0	0	109.7
644	S	31.4	Very low	30.7	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	71%	0.71	S	S	*	*			trans	58.7	132.4	151	53.2	0	0	0	0	120.8
645	G	32.7	Very low	31	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	71%	0.714	S	S	*	*			cis	164.1	171.9	-5	0	0	0	0	0	113.3
646	N	31.6	Very low	31	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	73%	0.725	S	S	*	*			trans	58.8	148.8	159.1	-75	18.2	0	0	0	120.2
647	S	28.4	Very low	31.2	Very low	75 Å²	75	123.6 Å²	123.6	52%	0.524	73%	0.725	S	S	.	*			cis	177.5	167.6	-15.4	47.6	0	0	0	0	109.1
648	H	33.1	Very low	31.6	Very low	174 Å²	174	123.8 Å²	123.8	81%	0.806	73%	0.733	S	S	*	*			trans	75.4	151.3	166	-62.2	-57.5	0	0	0	117.7
649	T	30.4	Very low	31.8	Very low	107 Å²	107	122.9 Å²	122.9	66%	0.656	74%	0.737	S	S	*	*			cis	-170.1	112.8	-12.6	-91.1	0	0	0	0	106.7
650	T	29.1	Very low	32.5	Very low	109 Å²	109	121.7 Å²	121.7	67%	0.669	74%	0.737	S	S	*	*				89	140.3	95.8	-34.1	0	0	0	0	117
651	M	28.4	Very low	32.9	Very low	154 Å²	154	121.7 Å²	121.7	76%	0.759	74%	0.739	S	S	*	*			trans	71.9	149	167.2	-50.2	-52.2	-80.9	0	0	117.6
652	S	33.6	Very low	33.3	Very low	96 Å²	96	119.5 Å²	119.5	67%	0.671	74%	0.738	S	S	*	*			cis	-163.6	139.7	-2.6	24.3	0	0	0	0	113.2
653	I	34.5	Very low	33.6	Very low	151 Å²	151	117.6 Å²	117.6	77%	0.774	73%	0.732	S	S	*	*				42	131.4	126	-51.5	177.5	0	0	0	120.8
654	P	41.2	Very low	33.8	Very low	117 Å²	117	120.1 Å²	120.1	76%	0.76	73%	0.733	S	S	*	*			trans	-94.3	-176.7	-179.5	41	-38.6	0	0	0	114.6
655	P	41.3	Very low	34	Very low	115 Å²	115	121.8 Å²	121.8	75%	0.747	73%	0.728	S	S	*	*				-152.2	158.5	114.4	40.6	-24.2	0	0	0	118.5
656	S	32.5	Very low	34.1	Very low	123 Å²	123	125.8 Å²	125.8	86%	0.86	73%	0.728	S	S	*	*			trans	20.3	140.3	147.3	64.5	0	0	0	0	124.1
657	G	35.4	Very low	34.3	Very low	66 Å²	66	122.8 Å²	122.8	68%	0.68	72%	0.72	S	S	*	*			trans	178.2	86.6	157.9	0	0	0	0	0	118.7
658	T	36.6	Very low	34.4	Very low	139 Å²	139	128 Å²	128	85%	0.853	74%	0.736	S	S	*	*			trans	47.5	112.5	145	54	0	0	0	0	123.6
659	S	31.2	Very low	34.3	Very low	113 Å²	113	125 Å²	125	79%	0.79	73%	0.733	S	S	*	*				-5.1	169.2	127.8	-44.7	0	0	0	0	120
660	P	38.4	Very low	34.3	Very low	103 Å²	103	126.3 Å²	126.3	67%	0.669	74%	0.736	S	S	*	*			cis	-156.7	177.9	29.8	46.3	-25	0	0	0	121.5
661	L	33.3	Very low	34.4	Very low	150 Å²	150	131.4 Å²	131.4	79%	0.785	75%	0.749	S	S	*	*			trans	65.2	142.3	151.6	-70.1	153	0	0	0	118.5
662	S	34.6	Very low	34.5	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	75%	0.75	S	S	*	*			cis	-164.8	148.6	33.4	36.1	0	0	0	0	116.3
663	H	36.8	Very low	34.2	Very low	142 Å²	142	136 Å²	136	66%	0.657	76%	0.761	S	S	*	*			trans	57.9	106	148.4	-57.6	-54.5	0	0	0	121.1
664	Q	35.2	Very low	33.8	Very low	145 Å²	145	132.9 Å²	132.9	68%	0.678	75%	0.752	S	S	*	*				83.8	133.2	85.9	-79.8	175.4	-49.7	0	0	113.4
665	H	35.8	Very low	33.1	Very low	151 Å²	151	131.4 Å²	131.4	70%	0.699	74%	0.744	S	S	*	*				-154.7	140	50.6	-118.5	-102.5	0	0	0	113
666	H	35.6	Very low	32.5	Very low	152 Å²	152	135.2 Å²	135.2	70%	0.704	75%	0.752	S	S	*	*			trans	32.6	146.5	143.6	-61.1	-105.6	0	0	0	121.8
667	S	35.3	Very low	32.4	Very low	102 Å²	102	135.3 Å²	135.3	71%	0.713	75%	0.747	S	S	*	*			cis	-153.9	123.7	13.6	-170.6	0	0	0	0	107.5
668	E	29.8	Very low	32.3	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	75%	0.747	S	S	*	*				54	97	81.6	-162.8	161.9	-131.2	0	0	115.9
669	C	30.3	Very low	32.4	Very low	110 Å²	110	138.8 Å²	138.8	74%	0.743	74%	0.739	S	S	*	*			trans	-165.2	128.2	132.5	-132.5	0	0	0	0	111.9
670	D	32.4	Very low	33.4	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	72%	0.716	S	S	*	*			trans	56.1	101.7	153.3	-53.4	-32.9	0	0	0	123.3
671	K	30.2	Very low	34.1	Very low	215 Å²	215	132.6 Å²	132.6	94%	0.935	70%	0.695	S	S	*	*			trans	-82.5	116	145.5	-74	175.6	176.8	173.2	0	109.7
672	I	30.5	Very low	35	Very low	150 Å²	150	128.4 Å²	128.4	77%	0.769	67%	0.669	S	S	*	*			trans	-119.3	125.9	160	-63.4	-179.6	0	0	0	109.2
673	H	26.6	Very low	36	Very low	196 Å²	196	126.8 Å²	126.8	91%	0.907	65%	0.653	S	S	*	*			trans	-80.7	112.4	176.3	-176.4	74.3	0	0	0	108.8
674	C	26.6	Very low	36.7	Very low	87 Å²	87	126 Å²	126	59%	0.588	65%	0.652	S	S	*	*			trans	-123.6	148.2	173.1	-161.5	0	0	0	0	111.4
675	S	26.9	Very low	38.2	Very low	85 Å²	85	123.4 Å²	123.4	59%	0.594	64%	0.643	S	S	*	*			trans	-73.3	154.7	-167.3	45.5	0	0	0	0	115.4	T677	S675-T677 PolarHBondContact O-N 2.95Å
676	Q	29.2	Very low	40.2	Very low	196 Å²	196	117.1 Å²	117.1	92%	0.916	62%	0.616	S	S	*	*	S	Bend	trans	-62.1	87.4	168.2	-65.8	168.6	-30.4	0	0	112.1
677	T	30	Very low	42.4	Very low	124 Å²	124	115.3 Å²	115.3	76%	0.761	62%	0.616	S	S	*	*			trans	172.2	90.4	151.6	20.5	0	0	0	0	109.5	S675	S675-T677 PolarHBondContact O-N 2.95Å
678	Q	33.5	Very low	44.8	Very low	142 Å²	142	113.9 Å²	113.9	66%	0.664	60%	0.6	S	S	*	*			trans	-158.3	112.7	172.9	-111	140.1	35.2	0	0	114.4
679	I	37.8	Very low	47.5	Very low	137 Å²	137	107.3 Å²	107.3	70%	0.703	57%	0.573	S	S	*	*			trans	61.4	101	146.9	-50.4	170.9	0	0	0	116.7	P681	I679-P681 WeakPolarHBondContact O-CD 3.44Å
680	V	53.5	Low	50.3	Low	50 Å²	50	109.4 Å²	109.4	30%	0.303	57%	0.57	S	S	.	*			trans	-66.6	119.6	158.3	179.7	0	0	0	0	108.4	Y682 I683 Y723	V680-Y682 PolarHBondContact O-N 3.39Å; V680-I683 PolarHBondContact O-N 3.4Å; V680-Y723 HydrophobicContact CG1-CD1 4.49Å; V680-Y723 HydrophobicContact CG1-CE1 3.74Å
681	P	51.6	Low	53.1	Low	35 Å²	35	107.3 Å²	107.3	23%	0.227	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	7.5	-167.7	23.9	-30.4	0	0	0	116.1	I679 I684 E739 L743	I679-P681 WeakPolarHBondContact O-CD 3.44Å; P681-I684 WeakPolarHBondContact O-CD1 3.28Å; P681-I684 VanDerWaalsContact O-CG1 3.28Å; P681-I684 WeakPolarHBondContact O-CG1 3.43Å; P681-E739 VanDerWaalsContact CG-OE1 3.3Å; P681-E739 WeakPolarHBondContact CG-OE1 3.48Å; P681-L743 HydrophobicContact CG-CD1 4.32Å
682	Y	52.8	Low	56.1	Low	62 Å²	62	97.3 Å²	97.3	24%	0.243	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	8.4	-177.8	-73.1	-86.4	0	0	0	114.6	V680 I684 T719 L743	V680-Y682 PolarHBondContact O-N 3.39Å; Y682-I684 PolarHBondContact O-N 3.27Å; Y682-T719 HydrophobicContact CD1-CG2 3.81Å; Y682-T719 HydrophobicContact CE1-CG2 3.99Å; Y682-L743 HydrophobicContact CD1-CD2 4.22Å; Y682-L743 HydrophobicContact CD2-CD1 4.05Å; Y682-L743 HydrophobicContact CD2-CD2 3.4Å; Y682-L743 VanDerWaalsContact CD2-CD2 3.4Å; Y682-L743 HydrophobicContact CD2-CG 4.27Å; Y682-L743 HydrophobicContact CE1-CD2 3.92Å; Y682-L743 HydrophobicContact CE2-CB 4.1Å; Y682-L743 HydrophobicContact CE2-CD1 3.18Å; Y682-L743 HydrophobicContact CE2-CD2 3.16Å; Y682-L743 HydrophobicContact CE2-CG 3.58Å; Y682-L743 HydrophobicContact CG-CD2 4.03Å; Y682-L743 VanDerWaalsContact CZ-CD2 3.45Å; Y682-L743 WeakPolarHBondContact OH-CB 3.36Å
683	I	54.8	Low	59	Low	61 Å²	61	93.9 Å²	93.9	31%	0.313	49%	0.492	S	S	.	.	S	Bend	trans	-68.7	-13.8	160	-87.9	170	0	0	0	112.1	V680 N685 S686 P689	V680-I683 PolarHBondContact O-N 3.4Å; I683-N685 PolarHBondContact O-N 3.37Å; I683-S686 PolarHBondContact O-N 2.86Å; I683-S686 VanDerWaalsContact O-N 3.11Å; I683-P689 HydrophobicContact CB-CB 4.14Å; I683-P689 HydrophobicContact CD1-CB 4.24Å; I683-P689 HydrophobicContact CG1-CB 3.8Å; I683-P689 HydrophobicContact CG2-CB 3.59Å; I683-P689 HydrophobicContact CG2-CG 4.19Å
684	I	52.8	Low	62.1	Low	125 Å²	125	89 Å²	89	64%	0.641	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.2	-163	-62.1	-178.6	0	0	0	114.3	P681 Y682	P681-I684 WeakPolarHBondContact O-CD1 3.28Å; P681-I684 VanDerWaalsContact O-CG1 3.28Å; P681-I684 WeakPolarHBondContact O-CG1 3.43Å; Y682-I684 PolarHBondContact O-N 3.27Å
685	N	66.4	Low	65.3	Low	91 Å²	91	85.7 Å²	85.7	49%	0.487	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	23.1	176.2	-71	1.9	0	0	0	113.4	I683 T715	I683-N685 PolarHBondContact O-N 3.37Å; N685-T715 HydrophobicContact CB-CG2 4.27Å; N685-T715 WeakPolarHBondContact CB-OG1 3.26Å; N685-T715 PolarHBondContact ND2-OG1 3.27Å
686	S	77.8	Confident	68.5	Low	20 Å²	20	82.2 Å²	82.2	14%	0.14	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-84.8	133.2	178.6	-176.2	0	0	0	0	112.7	I683 N688 P689 L713	I683-S686 PolarHBondContact O-N 2.86Å; I683-S686 VanDerWaalsContact O-N 3.11Å; S686-N688 VanDerWaalsContact C-N 3.28Å; S686-N688 PolarHBondContact O-N 2.9Å; S686-N688 VanDerWaalsContact OG-C 3.26Å; S686-N688 PolarHBondContact OG-N 3.34Å; S686-N688 PolarHBondContact OG-O 2.94Å; S686-P689 WeakPolarHBondContact OG-CA 3.47Å; S686-L713 CarbonylContact C-O 3.6Å; S686-L713 WeakPolarHBondContact CA-O 3.39Å; S686-L713 VanDerWaalsContact CB-O 3.27Å; S686-L713 WeakPolarHBondContact CB-O 3.29Å; S686-L713 PolarHBondContact OG-O 3.16Å
687	T	80.9	Confident	71.5	Confident	113 Å²	113	79.3 Å²	79.3	69%	0.693	41%	0.408	S	S	*	.	S	Bend	trans	-68.7	-27.8	173.4	55.4	0	0	0	0	112.3	Q712 L713	T687-Q712 PolarHBondContact OG1-O 3.47Å; T687-L713 PolarHBondContact N-O 2.75Å; T687-L713 VanDerWaalsContact N-O 3.14Å
688	N	87.1	Confident	74.5	Confident	72 Å²	72	77.9 Å²	77.9	39%	0.385	40%	0.399	S	S	.	.	S	Bend	trans	-150.4	86.7	173.5	-176.1	-11.5	0	0	0	110.3	S686 K690 K691 L692 L713	S686-N688 VanDerWaalsContact C-N 3.28Å; S686-N688 PolarHBondContact O-N 2.9Å; S686-N688 VanDerWaalsContact OG-C 3.26Å; S686-N688 PolarHBondContact OG-N 3.34Å; S686-N688 PolarHBondContact OG-O 2.94Å; N688-K690 VanDerWaalsContact C-N 3.31Å; N688-K690 PolarHBondContact O-N 2.63Å; N688-K691 HydrophobicContact CB-CB 4.2Å; N688-K691 PolarHBondContact O-N 2.96Å; N688-K691 PolarHBondContact OD1-N 2.9Å; N688-L692 PolarHBondContact O-N 2.92Å; N688-L692 VanDerWaalsContact O-N 3.13Å; N688-L713 HydrophobicContact CB-CD2 3.91Å
689	P	86.7	Confident	77.4	Confident	46 Å²	46	72.3 Å²	72.3	30%	0.299	38%	0.376	S	S	.	.	H	α-helix	trans	-67.3	-28.4	-169.2	23.3	-33.7	0	0	0	114.2	I683 S686 E693	I683-P689 HydrophobicContact CB-CB 4.14Å; I683-P689 HydrophobicContact CD1-CB 4.24Å; I683-P689 HydrophobicContact CG1-CB 3.8Å; I683-P689 HydrophobicContact CG2-CB 3.59Å; I683-P689 HydrophobicContact CG2-CG 4.19Å; S686-P689 WeakPolarHBondContact OG-CA 3.47Å; P689-E693 VanDerWaalsContact O-CB 3.27Å; P689-E693 WeakPolarHBondContact O-CB 3.3Å; P689-E693 PolarHBondContact O-N 3.46Å
690	K	88.6	Confident	80.2	Confident	155 Å²	155	66 Å²	66	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-66.2	-46.3	175	-69.8	-173.8	177.3	-176.8	0	111.1	N688 L692 E693 D694	N688-K690 VanDerWaalsContact C-N 3.31Å; N688-K690 PolarHBondContact O-N 2.63Å; K690-L692 VanDerWaalsContact C-N 3.3Å; K690-L692 PolarHBondContact O-N 3.13Å; K690-E693 PolarHBondContact O-N 3.11Å; K690-D694 WeakPolarHBondContact O-CB 3.45Å; K690-D694 VanDerWaalsContact O-CG 3.26Å; K690-D694 PolarHBondContact O-N 3.33Å
691	K	92	Very high	82.3	Confident	92 Å²	92	66.7 Å²	66.7	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-38.7	178.5	-169.8	-179.9	172.6	-159.2	0	111.4	N688 L695 E709 L713	N688-K691 HydrophobicContact CB-CB 4.2Å; N688-K691 PolarHBondContact O-N 2.96Å; N688-K691 PolarHBondContact OD1-N 2.9Å; K691-L695 VanDerWaalsContact O-CB 3.29Å; K691-L695 WeakPolarHBondContact O-CB 3.5Å; K691-L695 PolarHBondContact O-N 3.2Å; K691-E709 WeakPolarHBondContact CE-OE1 3.12Å; K691-E709 IonicContact NZ-OE1 2.97Å; K691-E709 PolarHBondContact NZ-OE1 3.2Å; K691-L713 HydrophobicContact CB-CD1 4.39Å; K691-L713 HydrophobicContact CB-CD2 4.34Å; K691-L713 HydrophobicContact CD-CD1 4.25Å; K691-L713 HydrophobicContact CD-CD2 4.13Å; K691-L713 HydrophobicContact CG-CD1 4.07Å; K691-L713 HydrophobicContact CG-CD2 4.47Å
692	L	92.3	Very high	84.4	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-46.8	173.6	-178.2	58.8	0	0	0	112	N688 K690 D694 L695 L696 V710 L713 T714	N688-L692 PolarHBondContact O-N 2.92Å; N688-L692 VanDerWaalsContact O-N 3.13Å; K690-L692 VanDerWaalsContact C-N 3.3Å; K690-L692 PolarHBondContact O-N 3.13Å; L692-D694 PolarHBondContact O-N 2.87Å; L692-L695 PolarHBondContact O-N 2.89Å; L692-L696 HydrophobicContact CD1-CD1 3.91Å; L692-L696 HydrophobicContact CD1-CG 4.15Å; L692-L696 HydrophobicContact CG-CD1 3.92Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 WeakPolarHBondContact O-CG 3.44Å; L692-L696 PolarHBondContact O-N 3.45Å; L692-V710 HydrophobicContact CD1-CG1 4.16Å; L692-L713 HydrophobicContact CB-CB 4.2Å; L692-L713 HydrophobicContact CB-CD1 4.31Å; L692-L713 HydrophobicContact CD1-CB 4.13Å; L692-T714 HydrophobicContact CD2-CG2 4.13Å
693	E	91.1	Very high	86.5	Confident	78 Å²	78	69 Å²	69	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-41.8	177.4	-175.2	-179	179.6	0	0	112	P689 K690 K697	P689-E693 VanDerWaalsContact O-CB 3.27Å; P689-E693 WeakPolarHBondContact O-CB 3.3Å; P689-E693 PolarHBondContact O-N 3.46Å; K690-E693 PolarHBondContact O-N 3.11Å; E693-K697 VanDerWaalsContact CD-NZ 3.28Å; E693-K697 HydrophobicContact CG-CD 4.2Å; E693-K697 WeakPolarHBondContact O-CB 3.41Å; E693-K697 VanDerWaalsContact O-CG 3.25Å; E693-K697 WeakPolarHBondContact O-CG 3.48Å; E693-K697 PolarHBondContact O-N 3.32Å; E693-K697 VanDerWaalsContact OE1-CE 3.28Å; E693-K697 WeakPolarHBondContact OE1-CE 3.15Å; E693-K697 IonicContact OE1-NZ 1.85Å; E693-K697 PolarHBondContact OE1-NZ 3.49Å
694	D	92.5	Very high	88.4	Confident	94 Å²	94	67.1 Å²	67.1	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-49	176.4	-70	-28.4	0	0	0	111.1	K690 L692 L696 K697 T698	K690-D694 WeakPolarHBondContact O-CB 3.45Å; K690-D694 VanDerWaalsContact O-CG 3.26Å; K690-D694 PolarHBondContact O-N 3.33Å; L692-D694 PolarHBondContact O-N 2.87Å; D694-L696 VanDerWaalsContact C-N 3.35Å; D694-L696 PolarHBondContact O-N 3.44Å; D694-K697 PolarHBondContact O-N 3.36Å; D694-K697 VanDerWaalsContact O-N 3.16Å; D694-T698 WeakPolarHBondContact O-CG2 3.29Å; D694-T698 PolarHBondContact O-N 3.02Å; D694-T698 PolarHBondContact O-OG1 3.2Å
695	L	93.5	Very high	90.5	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.094	32%	0.322	C	S	.	.	H	α-helix	trans	-57.3	-44.6	177.4	177.1	62.7	0	0	0	112.2	K691 L692 T698 S699 I705 E709 V710 L713	K691-L695 VanDerWaalsContact O-CB 3.29Å; K691-L695 WeakPolarHBondContact O-CB 3.5Å; K691-L695 PolarHBondContact O-N 3.2Å; L692-L695 PolarHBondContact O-N 2.89Å; L695-T698 PolarHBondContact O-N 3.36Å; L695-T698 PolarHBondContact O-OG1 3.22Å; L695-S699 VanDerWaalsContact O-CB 3.28Å; L695-S699 WeakPolarHBondContact O-CB 3.27Å; L695-S699 PolarHBondContact O-N 2.76Å; L695-S699 PolarHBondContact O-OG 3.24Å; L695-I705 HydrophobicContact CD1-CG1 4.4Å; L695-E709 HydrophobicContact CD2-CB 4.2Å; L695-E709 HydrophobicContact CD2-CG 3.92Å; L695-V710 HydrophobicContact CD2-CG2 3.71Å; L695-L713 HydrophobicContact CD2-CD1 4.22Å
696	L	93.8	Very high	92	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-36.7	177.5	-67.7	169.4	0	0	0	111.9	L692 D694 L700 I721	L692-L696 HydrophobicContact CD1-CD1 3.91Å; L692-L696 HydrophobicContact CD1-CG 4.15Å; L692-L696 HydrophobicContact CG-CD1 3.92Å; L692-L696 WeakPolarHBondContact O-CB 3.44Å; L692-L696 WeakPolarHBondContact O-CG 3.44Å; L692-L696 PolarHBondContact O-N 3.45Å; D694-L696 VanDerWaalsContact C-N 3.35Å; D694-L696 PolarHBondContact O-N 3.44Å; L696-L700 HydrophobicContact CD2-CD1 4.18Å; L696-L700 WeakPolarHBondContact O-CB 3.44Å; L696-L700 PolarHBondContact O-N 3.36Å; L696-I721 HydrophobicContact CD2-CD1 3.68Å
697	K	91.9	Very high	92.9	Very high	134 Å²	134	58.8 Å²	58.8	58%	0.583	31%	0.306	S	S	*	.	H	α-helix	trans	-68	-38.9	175.8	-78	171.5	-174.9	168.1	0	112.9	E693 D694	E693-K697 VanDerWaalsContact CD-NZ 3.28Å; E693-K697 HydrophobicContact CG-CD 4.2Å; E693-K697 WeakPolarHBondContact O-CB 3.41Å; E693-K697 VanDerWaalsContact O-CG 3.25Å; E693-K697 WeakPolarHBondContact O-CG 3.48Å; E693-K697 PolarHBondContact O-N 3.32Å; E693-K697 VanDerWaalsContact OE1-CE 3.28Å; E693-K697 WeakPolarHBondContact OE1-CE 3.15Å; E693-K697 IonicContact OE1-NZ 1.85Å; E693-K697 PolarHBondContact OE1-NZ 3.49Å; D694-K697 PolarHBondContact O-N 3.36Å; D694-K697 VanDerWaalsContact O-N 3.16Å
698	T	93.4	Very high	93.7	Very high	95 Å²	95	53.6 Å²	53.6	58%	0.583	27%	0.274	S	S	*	.	H	α-helix	trans	-83.6	-35.4	-176.8	57.3	0	0	0	0	113.5	D694 L695 L702	D694-T698 WeakPolarHBondContact O-CG2 3.29Å; D694-T698 PolarHBondContact O-N 3.02Å; D694-T698 PolarHBondContact O-OG1 3.2Å; L695-T698 PolarHBondContact O-N 3.36Å; L695-T698 PolarHBondContact O-OG1 3.22Å; T698-L702 WeakPolarHBondContact O-CD1 3.31Å
699	S	95	Very high	94.1	Very high	25 Å²	25	52.4 Å²	52.4	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-121.8	-9.2	-159.3	-50.2	0	0	0	0	115.1	L695 D701 L702	L695-S699 VanDerWaalsContact O-CB 3.28Å; L695-S699 WeakPolarHBondContact O-CB 3.27Å; L695-S699 PolarHBondContact O-N 2.76Å; L695-S699 PolarHBondContact O-OG 3.24Å; S699-D701 VanDerWaalsContact C-N 3.27Å; S699-D701 PolarHBondContact O-N 3.4Å; S699-L702 PolarHBondContact O-N 3.11Å
700	L	96	Very high	94.5	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	-176.2	-174	66.7	0	0	0	114.1	L696 I721 N724 I725 K728 Q769 H772	L696-L700 HydrophobicContact CD2-CD1 4.18Å; L696-L700 WeakPolarHBondContact O-CB 3.44Å; L696-L700 PolarHBondContact O-N 3.36Å; L700-I721 HydrophobicContact CD1-CD1 3.85Å; L700-N724 HydrophobicContact CD2-CB 4.05Å; L700-I725 HydrophobicContact CD1-CD1 4.1Å; L700-I725 HydrophobicContact CD1-CG1 3.92Å; L700-I725 HydrophobicContact CD2-CG1 4.04Å; L700-I725 HydrophobicContact CG-CG1 4.12Å; L700-K728 HydrophobicContact CD2-CD 4.28Å; L700-Q769 HydrophobicContact CD1-CG 4.09Å; L700-Q769 PolarHBondContact O-NE2 3.25Å; L700-H772 PolarHBondContact O-CD2 3.27Å
701	D	96.8	Very high	94.8	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.6	177	-56.8	-19.9	0	0	0	113.4	S699 K728 H772	S699-D701 VanDerWaalsContact C-N 3.27Å; S699-D701 PolarHBondContact O-N 3.4Å; D701-K728 WeakPolarHBondContact OD1-CE 3.42Å; D701-K728 IonicContact OD1-NZ 3.65Å; D701-K728 PolarHBondContact OD1-NZ 3.08Å; D701-K728 WeakPolarHBondContact OD2-CE 3.43Å; D701-K728 IonicContact OD2-NZ 3.74Å; D701-K728 PolarHBondContact OD2-NZ 3.4Å; D701-H772 WeakPolarHBondContact CA-NE2 3.32Å; D701-H772 IonicContact OD1-CD2 3.01Å; D701-H772 IonicContact OD1-CE1 2.93Å; D701-H772 IonicContact OD1-NE2 3.2Å; D701-H772 PolarHBondContact OD1-NE2 3.42Å; D701-H772 IonicContact OD2-NE2 2.69Å
702	L	96.7	Very high	94.9	Very high	101 Å²	101	46.7 Å²	46.7	53%	0.529	24%	0.241	S	C	.	.	S	Bend	trans	-99.3	144	-174.7	-57.9	-176.9	0	0	0	111	T698 S699 G704 Q769	T698-L702 WeakPolarHBondContact O-CD1 3.31Å; S699-L702 PolarHBondContact O-N 3.11Å; L702-G704 PolarHBondContact O-N 3Å; L702-Q769 PolarHBondContact O-NE2 3.36Å
703	W	97.5	Very high	95	Very high	45 Å²	45	47 Å²	47	17%	0.17	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	129.8	171.7	-167.9	-105.5	0	0	0	110.2	V773 L774 A922 K923 W980 I994	W703-V773 HydrophobicContact CB-CG1 4.34Å; W703-V773 HydrophobicContact CE3-CB 4.07Å; W703-V773 HydrophobicContact CE3-CG1 4Å; W703-L774 HydrophobicContact CZ3-CD2 4.25Å; W703-L774 HydrophobicContact CZ3-CG 4.16Å; W703-A922 PolarHBondContact NE1-O 2.97Å; W703-K923 HydrophobicContact CZ2-CD 4.16Å; W703-W980 AromaticContact CH2-CH2 3.49Å; W703-W980 HydrophobicContact CH2-CH2 3.49Å; W703-W980 VanDerWaalsContact CH2-CH2 3.49Å; W703-W980 AromaticContact CH2-CZ2 3.83Å; W703-W980 HydrophobicContact CH2-CZ2 3.83Å; W703-W980 AromaticContact CZ2-CH2 3.74Å; W703-W980 HydrophobicContact CZ2-CH2 3.74Å; W703-W980 AromaticContact CZ2-CZ2 3.9Å; W703-W980 HydrophobicContact CZ2-CZ2 3.9Å; W703-W980 HydrophobicContact CZ3-CH2 4.35Å; W703-I994 HydrophobicContact CD2-CD1 3.78Å; W703-I994 HydrophobicContact CD2-CG1 4.09Å; W703-I994 HydrophobicContact CE3-CD1 4.01Å; W703-I994 HydrophobicContact CG-CD1 4.17Å; W703-I994 HydrophobicContact CG-CG1 4.05Å; W703-I994 HydrophobicContact CH2-CD1 4.48Å; W703-I994 HydrophobicContact CZ2-CD1 4.26Å; W703-I994 HydrophobicContact CZ2-CG2 3.89Å; W703-I994 HydrophobicContact CZ3-CD1 4.36Å
704	G	94.2	Very high	95.1	Very high	20 Å²	20	43.6 Å²	43.6	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	40.1	-178.5	0	0	0	0	0	114.7	L702	L702-G704 PolarHBondContact O-N 3Å
705	I	96.6	Very high	95	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.224	C	C	.	.			trans	-54.9	141.1	159.8	-169.6	169.4	0	0	0	109.6	L695 I707 V710 I721 Q769 L927	L695-I705 HydrophobicContact CD1-CG1 4.4Å; I705-I707 VanDerWaalsContact C-N 3.3Å; I705-I707 PolarHBondContact O-N 3.32Å; I705-V710 HydrophobicContact CD1-CG2 4.33Å; I705-I721 HydrophobicContact CD1-CD1 4.42Å; I705-Q769 HydrophobicContact CG2-CB 4.49Å; I705-Q769 VanDerWaalsContact CG2-CD 3.4Å; I705-Q769 HydrophobicContact CG2-CG 3.82Å; I705-L927 VanDerWaalsContact O-CD1 3.32Å; I705-L927 WeakPolarHBondContact O-CD1 3.32Å
706	D	97.1	Very high	95	Very high	57 Å²	57	43.2 Å²	43.2	31%	0.305	23%	0.228	S	C	.	.			trans	-75.5	87.9	171.2	-167	-21.7	0	0	0	109.9	F708 E709 V710 L927	D706-F708 PolarHBondContact O-N 3.31Å; D706-F708 WeakPolarHBondContact OD1-CA 3.34Å; D706-F708 WeakPolarHBondContact OD1-CB 3.26Å; D706-F708 PolarHBondContact OD1-N 3.14Å; D706-E709 HydrophobicContact CB-CB 3.85Å; D706-E709 WeakPolarHBondContact O-CB 3.46Å; D706-E709 PolarHBondContact O-N 3.46Å; D706-E709 PolarHBondContact OD1-N 3.29Å; D706-V710 PolarHBondContact O-N 2.77Å; D706-V710 VanDerWaalsContact O-N 3.14Å; D706-L927 HydrophobicContact CB-CD2 4.27Å
707	I	97.4	Very high	95.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-21.3	178.8	-161.7	66.8	0	0	0	112.5	I705 V710 D711 I721 V762 A765 D766 W931	I705-I707 VanDerWaalsContact C-N 3.3Å; I705-I707 PolarHBondContact O-N 3.32Å; I707-V710 HydrophobicContact CD1-CB 4.35Å; I707-V710 HydrophobicContact CD1-CG2 4.48Å; I707-V710 PolarHBondContact O-N 3.34Å; I707-D711 PolarHBondContact O-N 3.17Å; I707-I721 HydrophobicContact CD1-CD1 4.1Å; I707-I721 HydrophobicContact CD1-CG1 3.89Å; I707-V762 HydrophobicContact CG1-CG1 4.14Å; I707-V762 HydrophobicContact CG2-CG1 4.23Å; I707-A765 HydrophobicContact CD1-CB 3.83Å; I707-A765 HydrophobicContact CG1-CB 4.18Å; I707-D766 HydrophobicContact CB-CB 4.45Å; I707-D766 HydrophobicContact CG1-CB 4.1Å; I707-D766 HydrophobicContact CG2-CB 4.1Å; I707-W931 HydrophobicContact CG2-CZ2 3.78Å
708	F	97.4	Very high	95.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-77.2	-34.2	173.1	-55.7	-64.5	0	0	0	111.2	D706 V710 D711 Q712 V762 L927 Q930 W931	D706-F708 PolarHBondContact O-N 3.31Å; D706-F708 WeakPolarHBondContact OD1-CA 3.34Å; D706-F708 WeakPolarHBondContact OD1-CB 3.26Å; D706-F708 PolarHBondContact OD1-N 3.14Å; F708-V710 VanDerWaalsContact C-N 3.3Å; F708-D711 PolarHBondContact O-N 2.98Å; F708-Q712 VanDerWaalsContact O-CG 3.27Å; F708-Q712 WeakPolarHBondContact O-CG 3.43Å; F708-Q712 PolarHBondContact O-N 3.17Å; F708-V762 HydrophobicContact CD1-CG1 4.02Å; F708-V762 HydrophobicContact CE1-CG1 4.18Å; F708-L927 HydrophobicContact CD2-CD2 3.84Å; F708-L927 HydrophobicContact CE2-CD2 4.16Å; F708-Q930 HydrophobicContact CD2-CB 4.12Å; F708-Q930 HydrophobicContact CD2-CG 4.48Å; F708-Q930 HydrophobicContact CE2-CB 3.45Å; F708-Q930 VanDerWaalsContact CE2-CB 3.45Å; F708-Q930 HydrophobicContact CE2-CG 4.27Å; F708-Q930 HydrophobicContact CZ-CB 3.77Å; F708-W931 HydrophobicContact CE1-CD2 4.31Å; F708-W931 HydrophobicContact CE1-CE3 4.29Å; F708-W931 AromaticContact CE1-CH2 3.75Å; F708-W931 HydrophobicContact CE1-CH2 3.75Å; F708-W931 AromaticContact CE1-CZ2 3.81Å; F708-W931 HydrophobicContact CE1-CZ2 3.81Å; F708-W931 HydrophobicContact CE1-CZ3 4.02Å; F708-W931 HydrophobicContact CE2-CD2 4.45Å; F708-W931 HydrophobicContact CE2-CZ2 4.48Å; F708-W931 AromaticContact CZ-CD2 3.57Å; F708-W931 HydrophobicContact CZ-CD2 3.57Å; F708-W931 AromaticContact CZ-CE2 3.42Å; F708-W931 VanDerWaalsContact CZ-CE2 3.42Å; F708-W931 AromaticContact CZ-CE3 3.93Å; F708-W931 HydrophobicContact CZ-CE3 3.93Å; F708-W931 HydrophobicContact CZ-CG 4.07Å; F708-W931 AromaticContact CZ-CH2 3.94Å; F708-W931 HydrophobicContact CZ-CH2 3.94Å; F708-W931 AromaticContact CZ-CZ2 3.63Å; F708-W931 HydrophobicContact CZ-CZ2 3.63Å; F708-W931 HydrophobicContact CZ-CZ3 4.11Å; F708-W931 AromaticContact CZ-NE1 3.93Å
709	E	95.9	Very high	95.5	Very high	47 Å²	47	31.8 Å²	31.8	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-37	167.8	-175.4	168.7	-127.7	0	0	111.2	K691 L695 D706 Q712 L713	K691-E709 WeakPolarHBondContact CE-OE1 3.12Å; K691-E709 IonicContact NZ-OE1 2.97Å; K691-E709 PolarHBondContact NZ-OE1 3.2Å; L695-E709 HydrophobicContact CD2-CB 4.2Å; L695-E709 HydrophobicContact CD2-CG 3.92Å; D706-E709 HydrophobicContact CB-CB 3.85Å; D706-E709 WeakPolarHBondContact O-CB 3.46Å; D706-E709 PolarHBondContact O-N 3.46Å; D706-E709 PolarHBondContact OD1-N 3.29Å; E709-Q712 PolarHBondContact O-N 3.48Å; E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.37Å; E709-L713 WeakPolarHBondContact O-CB 3.28Å; E709-L713 WeakPolarHBondContact O-CD1 3.49Å; E709-L713 WeakPolarHBondContact O-CG 3.17Å; E709-L713 PolarHBondContact O-N 3.01Å
710	V	95.1	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-48	172.4	179.3	0	0	0	0	111.6	L692 L695 I705 D706 I707 F708 Q712 L713 T714 P717 I721	L692-V710 HydrophobicContact CD1-CG1 4.16Å; L695-V710 HydrophobicContact CD2-CG2 3.71Å; I705-V710 HydrophobicContact CD1-CG2 4.33Å; D706-V710 PolarHBondContact O-N 2.77Å; D706-V710 VanDerWaalsContact O-N 3.14Å; I707-V710 HydrophobicContact CD1-CB 4.35Å; I707-V710 HydrophobicContact CD1-CG2 4.48Å; I707-V710 PolarHBondContact O-N 3.34Å; F708-V710 VanDerWaalsContact C-N 3.3Å; V710-Q712 VanDerWaalsContact C-N 3.31Å; V710-Q712 PolarHBondContact O-N 3.39Å; V710-L713 CarbonylContact O-C 3.51Å; V710-L713 PolarHBondContact O-N 3.23Å; V710-T714 HydrophobicContact CG1-CG2 4.07Å; V710-T714 VanDerWaalsContact O-CG2 3.27Å; V710-T714 WeakPolarHBondContact O-CG2 3.47Å; V710-T714 PolarHBondContact O-N 3.15Å; V710-P717 HydrophobicContact CG1-CB 4.07Å; V710-I721 HydrophobicContact CG1-CD1 4.34Å; V710-I721 HydrophobicContact CG1-CG1 4.14Å; V710-I721 HydrophobicContact CG2-CD1 4.41Å
711	D	95	Very high	95.6	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.214	16%	0.161	C	C	.	.	H	α-helix	trans	-63.3	-30.9	176.4	179.6	57.7	0	0	0	113.3	I707 F708 L713 P717 R761 V762	I707-D711 PolarHBondContact O-N 3.17Å; F708-D711 PolarHBondContact O-N 2.98Å; D711-L713 VanDerWaalsContact C-N 3.33Å; D711-P717 HydrophobicContact CB-CB 4.27Å; D711-P717 HydrophobicContact CB-CG 4.14Å; D711-R761 IonicContact OD1-CZ 3.29Å; D711-R761 IonicContact OD1-NH1 3.93Å; D711-R761 PolarHBondContact OD1-NH1 3.3Å; D711-R761 IonicContact OD1-NH2 3.25Å; D711-V762 HydrophobicContact CB-CG1 4.18Å; D711-V762 HydrophobicContact CB-CG2 3.84Å; D711-V762 VanDerWaalsContact CG-CG2 3.43Å
712	Q	94.8	Very high	95.6	Very high	134 Å²	134	27.4 Å²	27.4	63%	0.626	15%	0.145	S	C	*	.	H	α-helix	trans	-72.1	-27.2	171.2	-71	169.2	38.2	0	0	113	T687 F708 E709 V710	T687-Q712 PolarHBondContact OG1-O 3.47Å; F708-Q712 VanDerWaalsContact O-CG 3.27Å; F708-Q712 WeakPolarHBondContact O-CG 3.43Å; F708-Q712 PolarHBondContact O-N 3.17Å; E709-Q712 PolarHBondContact O-N 3.48Å; V710-Q712 VanDerWaalsContact C-N 3.31Å; V710-Q712 PolarHBondContact O-N 3.39Å
713	L	94	Very high	95.6	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-93.4	-16.7	-175.6	-72.4	173.5	0	0	0	114.2	S686 T687 N688 K691 L692 L695 E709 V710 D711	S686-L713 CarbonylContact C-O 3.6Å; S686-L713 WeakPolarHBondContact CA-O 3.39Å; S686-L713 VanDerWaalsContact CB-O 3.27Å; S686-L713 WeakPolarHBondContact CB-O 3.29Å; S686-L713 PolarHBondContact OG-O 3.16Å; T687-L713 PolarHBondContact N-O 2.75Å; T687-L713 VanDerWaalsContact N-O 3.14Å; N688-L713 HydrophobicContact CB-CD2 3.91Å; K691-L713 HydrophobicContact CB-CD1 4.39Å; K691-L713 HydrophobicContact CB-CD2 4.34Å; K691-L713 HydrophobicContact CD-CD1 4.25Å; K691-L713 HydrophobicContact CD-CD2 4.13Å; K691-L713 HydrophobicContact CG-CD1 4.07Å; K691-L713 HydrophobicContact CG-CD2 4.47Å; L692-L713 HydrophobicContact CB-CB 4.2Å; L692-L713 HydrophobicContact CB-CD1 4.31Å; L692-L713 HydrophobicContact CD1-CB 4.13Å; L695-L713 HydrophobicContact CD2-CD1 4.22Å; E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.37Å; E709-L713 WeakPolarHBondContact O-CB 3.28Å; E709-L713 WeakPolarHBondContact O-CD1 3.49Å; E709-L713 WeakPolarHBondContact O-CG 3.17Å; E709-L713 PolarHBondContact O-N 3.01Å; V710-L713 CarbonylContact O-C 3.51Å; V710-L713 PolarHBondContact O-N 3.23Å; D711-L713 VanDerWaalsContact C-N 3.33Å
714	T	92.4	Very high	95.5	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.037	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-145.1	143.2	175.1	175.3	0	0	0	0	111.2	L692 V710 N716 P717 C720	L692-T714 HydrophobicContact CD2-CG2 4.13Å; V710-T714 HydrophobicContact CG1-CG2 4.07Å; V710-T714 VanDerWaalsContact O-CG2 3.27Å; V710-T714 WeakPolarHBondContact O-CG2 3.47Å; V710-T714 PolarHBondContact O-N 3.15Å; T714-N716 PolarHBondContact O-N 3.13Å; T714-N716 PolarHBondContact OG1-N 3.48Å; T714-P717 HydrophobicContact CG2-CB 4.49Å; T714-C720 HydrophobicContact CG2-CB 3.97Å
715	T	90.3	Very high	95.6	Very high	71 Å²	71	21.4 Å²	21.4	44%	0.436	11%	0.111	S	C	.	.	S	Bend	trans	-63.2	-21.8	173	62.5	0	0	0	0	112.9	N685 P717 R761	N685-T715 HydrophobicContact CB-CG2 4.27Å; N685-T715 WeakPolarHBondContact CB-OG1 3.26Å; N685-T715 PolarHBondContact ND2-OG1 3.27Å; T715-P717 VanDerWaalsContact C-CD 3.45Å; T715-P717 WeakPolarHBondContact O-CD 3.19Å; T715-R761 PolarHBondContact O-NH1 3.4Å; T715-R761 VanDerWaalsContact O-NH1 3.09Å
716	N	93.3	Very high	95.6	Very high	34 Å²	34	21.2 Å²	21.2	18%	0.182	11%	0.11	C	C	.	.			trans	-124.9	64.4	-169	-63.5	19	0	0	0	110.8	T714 L718 C720 E750	T714-N716 PolarHBondContact O-N 3.13Å; T714-N716 PolarHBondContact OG1-N 3.48Å; N716-L718 PolarHBondContact O-N 2.97Å; N716-C720 WeakPolarHBondContact O-CB 3.5Å; N716-C720 PolarHBondContact O-N 2.87Å; N716-E750 VanDerWaalsContact CA-CD 3.48Å; N716-E750 VanDerWaalsContact CA-OE1 3.26Å; N716-E750 WeakPolarHBondContact CA-OE1 3.35Å; N716-E750 WeakPolarHBondContact CA-OE2 3.49Å; N716-E750 VanDerWaalsContact CB-OE2 3.32Å; N716-E750 WeakPolarHBondContact CB-OE2 3.19Å
717	P	95.6	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.8	-38.8	-178.5	25.2	-36.4	0	0	0	113.8	V710 D711 T714 T715 C720 I721 E750 R761 V762 A765	V710-P717 HydrophobicContact CG1-CB 4.07Å; D711-P717 HydrophobicContact CB-CB 4.27Å; D711-P717 HydrophobicContact CB-CG 4.14Å; T714-P717 HydrophobicContact CG2-CB 4.49Å; T715-P717 VanDerWaalsContact C-CD 3.45Å; T715-P717 WeakPolarHBondContact O-CD 3.19Å; P717-C720 PolarHBondContact O-N 3.03Å; P717-I721 WeakPolarHBondContact O-CB 3.42Å; P717-I721 VanDerWaalsContact O-CG1 3.32Å; P717-I721 WeakPolarHBondContact O-CG1 3.42Å; P717-I721 PolarHBondContact O-N 2.78Å; P717-E750 WeakPolarHBondContact CD-OE1 3.34Å; P717-R761 VanDerWaalsContact CD-NH1 3.3Å; P717-R761 HydrophobicContact CG-CG 4.33Å; P717-V762 HydrophobicContact CG-CG2 4.3Å; P717-A765 HydrophobicContact CB-CB 4.41Å
718	L	97.5	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-50.8	-179.2	173.4	62	0	0	0	110.9	N716 C720 I721 F722 M746 V749 E750 Y753 R761 A764 A765 V768 A797	N716-L718 PolarHBondContact O-N 2.97Å; L718-C720 VanDerWaalsContact C-N 3.27Å; L718-C720 PolarHBondContact O-N 3.45Å; L718-I721 PolarHBondContact O-N 2.95Å; L718-F722 WeakPolarHBondContact O-CB 3.31Å; L718-F722 PolarHBondContact O-N 3.45Å; L718-M746 HydrophobicContact CD1-CE 4.31Å; L718-M746 HydrophobicContact CD2-CE 4.09Å; L718-M746 HydrophobicContact CG-CE 3.84Å; L718-V749 HydrophobicContact CD2-CG1 4.12Å; L718-E750 HydrophobicContact CB-CG 4.27Å; L718-E750 WeakPolarHBondContact CB-OE1 3.34Å; L718-E750 HydrophobicContact CD2-CB 4.38Å; L718-E750 PolarHBondContact N-OE1 2.88Å; L718-Y753 HydrophobicContact CD2-CD2 4.02Å; L718-Y753 HydrophobicContact CD2-CE2 3.72Å; L718-R761 HydrophobicContact CB-CB 4.35Å; L718-A764 HydrophobicContact CD1-CB 3.95Å; L718-A764 HydrophobicContact CD2-CB 4.03Å; L718-A765 HydrophobicContact CB-CB 4.28Å; L718-A765 HydrophobicContact CD1-CB 4.44Å; L718-V768 HydrophobicContact CD1-CG2 4.09Å; L718-A797 HydrophobicContact CD1-CB 4.13Å
719	T	96.8	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-42.6	176.5	-58.2	0	0	0	0	110.8	Y682 Y723 L743 M746 E750	Y682-T719 HydrophobicContact CD1-CG2 3.81Å; Y682-T719 HydrophobicContact CE1-CG2 3.99Å; T719-Y723 WeakPolarHBondContact O-CB 3.38Å; T719-Y723 PolarHBondContact O-N 3.2Å; T719-L743 HydrophobicContact CG2-CD2 4.3Å; T719-M746 HydrophobicContact CG2-CB 3.91Å; T719-M746 PolarHBondContact OG1-O 3.09Å; T719-E750 WeakPolarHBondContact CB-OE2 3.35Å; T719-E750 PolarHBondContact N-OE2 2.97Å; T719-E750 PolarHBondContact OG1-OE2 2.96Å
720	C	95.3	Very high	95.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-54.7	178.7	-175.5	0	0	0	0	112.2	T714 N716 P717 L718 N724	T714-C720 HydrophobicContact CG2-CB 3.97Å; N716-C720 WeakPolarHBondContact O-CB 3.5Å; N716-C720 PolarHBondContact O-N 2.87Å; P717-C720 PolarHBondContact O-N 3.03Å; L718-C720 VanDerWaalsContact C-N 3.27Å; L718-C720 PolarHBondContact O-N 3.45Å; C720-N724 WeakPolarHBondContact O-CB 3.45Å; C720-N724 PolarHBondContact O-N 3.37Å; C720-N724 VanDerWaalsContact O-N 3.11Å; C720-N724 PolarHBondContact O-ND2 3.06Å
721	I	97	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-47.8	-179.2	-72.5	-72.6	0	0	0	110.9	L696 L700 I705 I707 V710 P717 L718 N724 I725 A765 V768 Q769	L696-I721 HydrophobicContact CD2-CD1 3.68Å; L700-I721 HydrophobicContact CD1-CD1 3.85Å; I705-I721 HydrophobicContact CD1-CD1 4.42Å; I707-I721 HydrophobicContact CD1-CD1 4.1Å; I707-I721 HydrophobicContact CD1-CG1 3.89Å; V710-I721 HydrophobicContact CG1-CD1 4.34Å; V710-I721 HydrophobicContact CG1-CG1 4.14Å; V710-I721 HydrophobicContact CG2-CD1 4.41Å; P717-I721 WeakPolarHBondContact O-CB 3.42Å; P717-I721 VanDerWaalsContact O-CG1 3.32Å; P717-I721 WeakPolarHBondContact O-CG1 3.42Å; P717-I721 PolarHBondContact O-N 2.78Å; L718-I721 PolarHBondContact O-N 2.95Å; I721-N724 PolarHBondContact O-N 2.9Å; I721-I725 HydrophobicContact CG2-CD1 3.64Å; I721-I725 WeakPolarHBondContact O-CB 3.29Å; I721-I725 WeakPolarHBondContact O-CD1 3.49Å; I721-I725 WeakPolarHBondContact O-CG1 3.49Å; I721-I725 PolarHBondContact O-N 2.99Å; I721-A765 HydrophobicContact CB-CB 4.44Å; I721-A765 HydrophobicContact CG1-CB 4.38Å; I721-V768 HydrophobicContact CG2-CB 4.44Å; I721-V768 HydrophobicContact CG2-CG1 4.06Å; I721-Q769 HydrophobicContact CG2-CB 4Å
722	F	97.7	Very high	95.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-50.9	-179.3	-171.4	-86.9	0	0	0	111.9	L718 N724 I725 V726 L742 M746 V768 F790 L793 F794 A797	L718-F722 WeakPolarHBondContact O-CB 3.31Å; L718-F722 PolarHBondContact O-N 3.45Å; F722-N724 PolarHBondContact O-N 3.37Å; F722-I725 PolarHBondContact O-N 3.38Å; F722-V726 HydrophobicContact CD1-CG2 3.86Å; F722-V726 HydrophobicContact CE1-CB 4.4Å; F722-V726 HydrophobicContact CE1-CG2 3.42Å; F722-V726 VanDerWaalsContact CE1-CG2 3.42Å; F722-V726 HydrophobicContact CE2-CG2 4.37Å; F722-V726 HydrophobicContact CG-CG2 4.49Å; F722-V726 HydrophobicContact CZ-CG2 3.73Å; F722-V726 WeakPolarHBondContact O-CB 3.38Å; F722-V726 WeakPolarHBondContact O-CG2 3.33Å; F722-V726 PolarHBondContact O-N 2.96Å; F722-L742 HydrophobicContact CD1-CD1 4.07Å; F722-L742 HydrophobicContact CD1-CD2 4.4Å; F722-L742 HydrophobicContact CE1-CD1 3.55Å; F722-L742 HydrophobicContact CE1-CD2 4.21Å; F722-L742 HydrophobicContact CE1-CG 4.43Å; F722-M746 HydrophobicContact CB-CE 4.16Å; F722-M746 HydrophobicContact CD1-CE 4.44Å; F722-M746 HydrophobicContact CD1-CG 3.82Å; F722-M746 HydrophobicContact CD1-SD 3.88Å; F722-M746 HydrophobicContact CD2-CE 4.39Å; F722-M746 HydrophobicContact CD2-SD 4.44Å; F722-M746 HydrophobicContact CE1-CG 4.29Å; F722-M746 HydrophobicContact CE1-SD 4.11Å; F722-M746 HydrophobicContact CG-CE 4.07Å; F722-M746 HydrophobicContact CG-CG 4.35Å; F722-M746 HydrophobicContact CG-SD 4.06Å; F722-M746 HydrophobicContact CZ-SD 4.46Å; F722-V768 HydrophobicContact CD2-CG1 4.05Å; F722-V768 HydrophobicContact CD2-CG2 4.42Å; F722-F790 HydrophobicContact CE1-CE2 4.41Å; F722-F790 HydrophobicContact CZ-CE2 4.18Å; F722-L793 HydrophobicContact CE2-CB 4.08Å; F722-L793 WeakPolarHBondContact CE2-O 3.46Å; F722-F794 HydrophobicContact CZ-CB 4.44Å; F722-F794 HydrophobicContact CZ-CD2 4.41Å; F722-A797 HydrophobicContact CD2-CB 3.58Å; F722-A797 HydrophobicContact CE2-CB 3.76Å
723	Y	95.9	Very high	95.6	Very high	3 Å²	3	30 Å²	30	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-47.5	180	172.8	-87.7	0	0	0	111.6	V680 T719 I725 V726 Q727 L732 E739 L742 L743	V680-Y723 HydrophobicContact CG1-CD1 4.49Å; V680-Y723 HydrophobicContact CG1-CE1 3.74Å; T719-Y723 WeakPolarHBondContact O-CB 3.38Å; T719-Y723 PolarHBondContact O-N 3.2Å; Y723-I725 VanDerWaalsContact C-N 3.31Å; Y723-I725 PolarHBondContact O-N 3.19Å; Y723-V726 PolarHBondContact O-N 2.86Å; Y723-Q727 HydrophobicContact CE1-CB 4.42Å; Y723-Q727 VanDerWaalsContact CE1-OE1 3.25Å; Y723-Q727 VanDerWaalsContact O-CB 3.29Å; Y723-Q727 WeakPolarHBondContact O-CB 3.5Å; Y723-Q727 PolarHBondContact O-N 2.84Å; Y723-Q727 PolarHBondContact OH-NE2 2.64Å; Y723-L732 HydrophobicContact CE2-CD1 4.16Å; Y723-E739 HydrophobicContact CE2-CG 4.1Å; Y723-E739 VanDerWaalsContact CE2-OE1 3.29Å; Y723-E739 WeakPolarHBondContact CE2-OE1 3.33Å; Y723-E739 VanDerWaalsContact CZ-OE1 3.29Å; Y723-E739 PolarHBondContact OH-OE1 3.37Å; Y723-L742 HydrophobicContact CD2-CD2 4.47Å; Y723-L743 HydrophobicContact CD2-CD2 3.41Å; Y723-L743 VanDerWaalsContact CD2-CD2 3.41Å; Y723-L743 HydrophobicContact CD2-CG 4.21Å; Y723-L743 HydrophobicContact CE2-CD1 4.36Å; Y723-L743 HydrophobicContact CE2-CD2 4.02Å; Y723-L743 HydrophobicContact CE2-CG 4.46Å; Y723-L743 HydrophobicContact CG-CD2 4.02Å
724	N	95.4	Very high	95.7	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-39.3	-179.9	-82.8	-88.7	0	0	0	111.8	L700 C720 I721 F722 K728	L700-N724 HydrophobicContact CD2-CB 4.05Å; C720-N724 WeakPolarHBondContact O-CB 3.45Å; C720-N724 PolarHBondContact O-N 3.37Å; C720-N724 VanDerWaalsContact O-N 3.11Å; C720-N724 PolarHBondContact O-ND2 3.06Å; I721-N724 PolarHBondContact O-N 2.9Å; F722-N724 PolarHBondContact O-N 3.37Å; N724-K728 WeakPolarHBondContact O-CB 3.35Å; N724-K728 PolarHBondContact O-N 3.09Å
725	I	97.4	Very high	95.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-47.7	175.6	-73.3	163.5	0	0	0	111.6	L700 I721 F722 Y723 Q727 K728 R729 V768 H772 L793	L700-I725 HydrophobicContact CD1-CD1 4.1Å; L700-I725 HydrophobicContact CD1-CG1 3.92Å; L700-I725 HydrophobicContact CD2-CG1 4.04Å; L700-I725 HydrophobicContact CG-CG1 4.12Å; I721-I725 HydrophobicContact CG2-CD1 3.64Å; I721-I725 WeakPolarHBondContact O-CB 3.29Å; I721-I725 WeakPolarHBondContact O-CD1 3.49Å; I721-I725 WeakPolarHBondContact O-CG1 3.49Å; I721-I725 PolarHBondContact O-N 2.99Å; F722-I725 PolarHBondContact O-N 3.38Å; Y723-I725 VanDerWaalsContact C-N 3.31Å; Y723-I725 PolarHBondContact O-N 3.19Å; I725-Q727 VanDerWaalsContact C-N 3.34Å; I725-Q727 PolarHBondContact O-N 3.38Å; I725-K728 PolarHBondContact O-N 2.81Å; I725-R729 WeakPolarHBondContact O-CB 3.4Å; I725-R729 WeakPolarHBondContact O-CG 3.49Å; I725-R729 PolarHBondContact O-N 3.01Å; I725-V768 HydrophobicContact CD1-CG1 3.87Å; I725-H772 HydrophobicContact CD1-CB 3.7Å; I725-H772 HydrophobicContact CG1-CB 4.14Å; I725-H772 HydrophobicContact CG2-CB 4.13Å; I725-H772 WeakPolarHBondContact CG2-ND1 3.43Å; I725-L793 HydrophobicContact CG2-CD1 3.6Å; I725-L793 HydrophobicContact CG2-CD2 3.97Å; I725-L793 HydrophobicContact CG2-CG 4.42Å
726	V	96.8	Very high	96.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-37.2	-178.5	172.3	0	0	0	0	111.4	F722 Y723 N730 L731 L732 L742 F790	F722-V726 HydrophobicContact CD1-CG2 3.86Å; F722-V726 HydrophobicContact CE1-CB 4.4Å; F722-V726 HydrophobicContact CE1-CG2 3.42Å; F722-V726 VanDerWaalsContact CE1-CG2 3.42Å; F722-V726 HydrophobicContact CE2-CG2 4.37Å; F722-V726 HydrophobicContact CG-CG2 4.49Å; F722-V726 HydrophobicContact CZ-CG2 3.73Å; F722-V726 WeakPolarHBondContact O-CB 3.38Å; F722-V726 WeakPolarHBondContact O-CG2 3.33Å; F722-V726 PolarHBondContact O-N 2.96Å; Y723-V726 PolarHBondContact O-N 2.86Å; V726-N730 PolarHBondContact O-N 3.47Å; V726-L731 HydrophobicContact CG1-CB 3.81Å; V726-L731 HydrophobicContact CG2-CD1 4.41Å; V726-L731 PolarHBondContact O-N 3.2Å; V726-L732 HydrophobicContact CG1-CD2 3.9Å; V726-L732 HydrophobicContact CG1-CG 3.96Å; V726-L742 HydrophobicContact CG1-CD2 4.14Å; V726-F790 HydrophobicContact CG1-CD2 4.41Å; V726-F790 HydrophobicContact CG1-CE2 4.16Å; V726-F790 HydrophobicContact CG2-CD2 4.35Å; V726-F790 HydrophobicContact CG2-CE2 4.25Å
727	Q	94.8	Very high	96.3	Very high	79 Å²	79	33.6 Å²	33.6	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-65.9	-47.9	171.8	-170.1	179.1	33.8	0	0	111.2	Y723 I725 R729 N730 L732	Y723-Q727 HydrophobicContact CE1-CB 4.42Å; Y723-Q727 VanDerWaalsContact CE1-OE1 3.25Å; Y723-Q727 VanDerWaalsContact O-CB 3.29Å; Y723-Q727 WeakPolarHBondContact O-CB 3.5Å; Y723-Q727 PolarHBondContact O-N 2.84Å; Y723-Q727 PolarHBondContact OH-NE2 2.64Å; I725-Q727 VanDerWaalsContact C-N 3.34Å; I725-Q727 PolarHBondContact O-N 3.38Å; Q727-R729 VanDerWaalsContact C-N 3.34Å; Q727-R729 PolarHBondContact O-N 2.96Å; Q727-N730 WeakPolarHBondContact O-CA 3.42Å; Q727-N730 PolarHBondContact O-N 3.26Å; Q727-L732 HydrophobicContact CB-CD1 4.41Å
728	K	95.4	Very high	96.3	Very high	102 Å²	102	35.3 Å²	35.3	44%	0.443	18%	0.177	S	C	.	.	H	α-helix	trans	-62.3	-36.9	180	-175.7	169.5	-171.8	173	0	113.4	L700 D701 N724 I725 N730	L700-K728 HydrophobicContact CD2-CD 4.28Å; D701-K728 WeakPolarHBondContact OD1-CE 3.42Å; D701-K728 IonicContact OD1-NZ 3.65Å; D701-K728 PolarHBondContact OD1-NZ 3.08Å; D701-K728 WeakPolarHBondContact OD2-CE 3.43Å; D701-K728 IonicContact OD2-NZ 3.74Å; D701-K728 PolarHBondContact OD2-NZ 3.4Å; N724-K728 WeakPolarHBondContact O-CB 3.35Å; N724-K728 PolarHBondContact O-N 3.09Å; I725-K728 PolarHBondContact O-N 2.81Å; K728-N730 PolarHBondContact O-N 2.94Å
729	R	96.3	Very high	96.1	Very high	47 Å²	47	39 Å²	39	18%	0.177	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	2.6	173.5	-67.2	-174.2	177.7	-80	-5.5	113.6	I725 Q727 L731 H772 N776	I725-R729 WeakPolarHBondContact O-CB 3.4Å; I725-R729 WeakPolarHBondContact O-CG 3.49Å; I725-R729 PolarHBondContact O-N 3.01Å; Q727-R729 VanDerWaalsContact C-N 3.34Å; Q727-R729 PolarHBondContact O-N 2.96Å; R729-L731 HydrophobicContact CB-CD1 3.82Å; R729-L731 HydrophobicContact CB-CD2 4.38Å; R729-L731 HydrophobicContact CB-CG 3.7Å; R729-L731 PolarHBondContact O-N 3.35Å; R729-H772 VanDerWaalsContact CZ-ND1 3.33Å; R729-H772 PolarHBondContact NE-CE1 2.99Å; R729-H772 PolarHBondContact NE-ND1 3.07Å; R729-H772 PolarHBondContact NH2-ND1 3.44Å; R729-H772 PolarHBondContact NH2-O 2.86Å; R729-N776 PolarHBondContact NH2-OD1 2.87Å
730	N	97.1	Very high	96	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	30.4	-176.5	-161.5	25.8	0	0	0	114.5	V726 Q727 K728 Q733 K734	V726-N730 PolarHBondContact O-N 3.47Å; Q727-N730 WeakPolarHBondContact O-CA 3.42Å; Q727-N730 PolarHBondContact O-N 3.26Å; K728-N730 PolarHBondContact O-N 2.94Å; N730-Q733 PolarHBondContact ND2-OE1 3.05Å; N730-Q733 WeakPolarHBondContact OD1-CB 3.36Å; N730-Q733 PolarHBondContact OD1-OE1 3.31Å; N730-K734 VanDerWaalsContact O-CG 3.24Å; N730-K734 WeakPolarHBondContact O-CG 3.27Å; N730-K734 PolarHBondContact O-N 2.91Å
731	L	97	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.9	-30	-175.2	-60.5	171.3	0	0	0	111.6	V726 R729 Q733 K734 F735 D786 I789 F790 L793	V726-L731 HydrophobicContact CG1-CB 3.81Å; V726-L731 HydrophobicContact CG2-CD1 4.41Å; V726-L731 PolarHBondContact O-N 3.2Å; R729-L731 HydrophobicContact CB-CD1 3.82Å; R729-L731 HydrophobicContact CB-CD2 4.38Å; R729-L731 HydrophobicContact CB-CG 3.7Å; R729-L731 PolarHBondContact O-N 3.35Å; L731-Q733 PolarHBondContact O-N 2.61Å; L731-K734 HydrophobicContact CD2-CD 4.43Å; L731-K734 PolarHBondContact O-N 2.75Å; L731-F735 HydrophobicContact CB-CD2 4.42Å; L731-F735 HydrophobicContact CD2-CE2 4.1Å; L731-F735 WeakPolarHBondContact O-CD2 3.45Å; L731-F735 PolarHBondContact O-N 3.17Å; L731-F735 VanDerWaalsContact O-N 3.09Å; L731-D786 HydrophobicContact CD2-CB 4.21Å; L731-I789 HydrophobicContact CD1-CG2 4.07Å; L731-I789 HydrophobicContact CD2-CG2 4.44Å; L731-F790 HydrophobicContact CB-CD2 4.28Å; L731-F790 HydrophobicContact CD1-CB 4.17Å; L731-F790 HydrophobicContact CD1-CD2 4.14Å; L731-L793 HydrophobicContact CD1-CD1 4.13Å
732	L	95.6	Very high	96	Very high	24 Å²	24	48.8 Å²	48.8	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-53.3	-52.6	172.5	-68.9	-179.8	0	0	0	111.6	Y723 V726 Q727 A736 I737 L742	Y723-L732 HydrophobicContact CE2-CD1 4.16Å; V726-L732 HydrophobicContact CG1-CD2 3.9Å; V726-L732 HydrophobicContact CG1-CG 3.96Å; Q727-L732 HydrophobicContact CB-CD1 4.41Å; L732-A736 WeakPolarHBondContact O-CA 3.36Å; L732-A736 PolarHBondContact O-N 3.39Å; L732-A736 VanDerWaalsContact O-N 3.08Å; L732-I737 HydrophobicContact CD2-CB 4.09Å; L732-I737 HydrophobicContact CD2-CG2 4.06Å; L732-I737 PolarHBondContact O-N 2.93Å; L732-L742 HydrophobicContact CD2-CD2 3.64Å
733	Q	95.8	Very high	95.9	Very high	147 Å²	147	49.2 Å²	49.2	69%	0.687	23%	0.234	S	C	*	.	H	α-helix	trans	-70.3	-44.5	-178.4	-167.2	-176.4	32.2	0	0	111.6	N730 L731 F735 A736	N730-Q733 PolarHBondContact ND2-OE1 3.05Å; N730-Q733 WeakPolarHBondContact OD1-CB 3.36Å; N730-Q733 PolarHBondContact OD1-OE1 3.31Å; L731-Q733 PolarHBondContact O-N 2.61Å; Q733-F735 VanDerWaalsContact C-N 3.28Å; Q733-F735 PolarHBondContact O-N 2.55Å; Q733-A736 PolarHBondContact O-N 2.7Å
734	K	95.9	Very high	95.9	Very high	104 Å²	104	52 Å²	52	45%	0.452	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-35.7	-177.6	-74.9	175.3	176.2	-161.6	0	113.4	N730 L731 D786	N730-K734 VanDerWaalsContact O-CG 3.24Å; N730-K734 WeakPolarHBondContact O-CG 3.27Å; N730-K734 PolarHBondContact O-N 2.91Å; L731-K734 HydrophobicContact CD2-CD 4.43Å; L731-K734 PolarHBondContact O-N 2.75Å; K734-D786 HydrophobicContact CD-CB 4.27Å; K734-D786 WeakPolarHBondContact CD-OD2 3.24Å; K734-D786 WeakPolarHBondContact CE-OD2 3.38Å; K734-D786 IonicContact NZ-OD1 2.65Å; K734-D786 PolarHBondContact NZ-OD1 2.79Å; K734-D786 IonicContact NZ-OD2 3.9Å; K734-D786 PolarHBondContact NZ-OD2 2.85Å
735	F	96.1	Very high	96	Very high	24 Å²	24	50.4 Å²	50.4	11%	0.105	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	5.3	-179.8	-68.4	-63.8	0	0	0	114.3	L731 Q733 I737 D786 L787 F790 F851	L731-F735 HydrophobicContact CB-CD2 4.42Å; L731-F735 HydrophobicContact CD2-CE2 4.1Å; L731-F735 WeakPolarHBondContact O-CD2 3.45Å; L731-F735 PolarHBondContact O-N 3.17Å; L731-F735 VanDerWaalsContact O-N 3.09Å; Q733-F735 VanDerWaalsContact C-N 3.28Å; Q733-F735 PolarHBondContact O-N 2.55Å; F735-I737 HydrophobicContact CB-CD1 3.87Å; F735-I737 HydrophobicContact CB-CG1 3.76Å; F735-I737 PolarHBondContact O-N 3.29Å; F735-I737 VanDerWaalsContact O-N 3.15Å; F735-D786 HydrophobicContact CE2-CB 3.9Å; F735-D786 WeakPolarHBondContact CE2-O 3.36Å; F735-D786 VanDerWaalsContact CZ-C 3.5Å; F735-D786 HydrophobicContact CZ-CB 3.75Å; F735-L787 HydrophobicContact CD1-CD1 4.46Å; F735-L787 HydrophobicContact CE1-CB 4.35Å; F735-L787 HydrophobicContact CE1-CD1 3.77Å; F735-L787 HydrophobicContact CZ-CB 4.03Å; F735-L787 HydrophobicContact CZ-CD1 4.04Å; F735-F790 HydrophobicContact CD2-CB 4.4Å; F735-F790 HydrophobicContact CE2-CB 4.06Å; F735-F851 HydrophobicContact CB-CE1 3.63Å; F735-F851 HydrophobicContact CB-CZ 3.73Å; F735-F851 HydrophobicContact CD1-CE1 4.33Å; F735-F851 HydrophobicContact CD1-CE2 4.08Å; F735-F851 AromaticContact CD1-CZ 3.87Å; F735-F851 HydrophobicContact CD1-CZ 3.87Å; F735-F851 HydrophobicContact CD2-CZ 4.38Å; F735-F851 HydrophobicContact CG-CE1 4.13Å; F735-F851 HydrophobicContact CG-CE2 4.36Å; F735-F851 AromaticContact CG-CZ 3.72Å; F735-F851 HydrophobicContact CG-CZ 3.72Å
736	A	96.6	Very high	96	Very high	59 Å²	59	50.4 Å²	50.4	49%	0.488	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	38	-173.2	0	0	0	0	0	112.9	L732 Q733 P738 N850	L732-A736 WeakPolarHBondContact O-CA 3.36Å; L732-A736 PolarHBondContact O-N 3.39Å; L732-A736 VanDerWaalsContact O-N 3.08Å; Q733-A736 PolarHBondContact O-N 2.7Å; A736-P738 WeakPolarHBondContact O-CD 3.37Å; A736-N850 HydrophobicContact CB-CB 4.41Å; A736-N850 PolarHBondContact O-ND2 3.31Å
737	I	96.5	Very high	96	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.046	25%	0.249	C	C	.	.			trans	-68	121.1	179.7	-66	162.8	0	0	0	107.5	L732 F735 E739 L742 F790 V847 F851	L732-I737 HydrophobicContact CD2-CB 4.09Å; L732-I737 HydrophobicContact CD2-CG2 4.06Å; L732-I737 PolarHBondContact O-N 2.93Å; F735-I737 HydrophobicContact CB-CD1 3.87Å; F735-I737 HydrophobicContact CB-CG1 3.76Å; F735-I737 PolarHBondContact O-N 3.29Å; F735-I737 VanDerWaalsContact O-N 3.15Å; I737-E739 PolarHBondContact O-N 3.06Å; I737-E739 VanDerWaalsContact O-N 3.11Å; I737-L742 HydrophobicContact CG2-CB 3.92Å; I737-F790 HydrophobicContact CD1-CD2 4.2Å; I737-F790 HydrophobicContact CD1-CE1 4.06Å; I737-F790 HydrophobicContact CD1-CE2 3.62Å; I737-F790 HydrophobicContact CD1-CZ 3.55Å; I737-V847 HydrophobicContact CD1-CG1 4.45Å; I737-V847 HydrophobicContact CG2-CG1 3.7Å; I737-F851 HydrophobicContact CD1-CE1 4.3Å; I737-F851 HydrophobicContact CD1-CZ 4.37Å; I737-F851 HydrophobicContact CG1-CE1 3.86Å; I737-F851 HydrophobicContact CG1-CZ 4.43Å
738	P	95.3	Very high	96.1	Very high	37 Å²	37	48.5 Å²	48.5	24%	0.24	24%	0.235	C	C	.	.			trans	-62.4	118.9	174.2	-18.4	31.7	0	0	0	108.6	A736 R740 N741 L742	A736-P738 WeakPolarHBondContact O-CD 3.37Å; P738-R740 VanDerWaalsContact C-N 3.27Å; P738-R740 PolarHBondContact O-N 2.93Å; P738-N741 HydrophobicContact CB-CB 4.07Å; P738-N741 HydrophobicContact CG-CB 4.42Å; P738-N741 WeakPolarHBondContact O-CB 3.25Å; P738-N741 PolarHBondContact O-N 3.13Å; P738-L742 PolarHBondContact O-N 3.13Å; P738-L742 VanDerWaalsContact O-N 3.12Å
739	E	94.1	Very high	96.2	Very high	77 Å²	77	43.6 Å²	43.6	36%	0.36	21%	0.214	S	C	.	.	H	α-helix	trans	-52.4	-47.8	-176.5	171.2	163.4	-162.7	0	0	111.1	P681 Y723 I737 N741 L742 L743	P681-E739 VanDerWaalsContact CG-OE1 3.3Å; P681-E739 WeakPolarHBondContact CG-OE1 3.48Å; Y723-E739 HydrophobicContact CE2-CG 4.1Å; Y723-E739 VanDerWaalsContact CE2-OE1 3.29Å; Y723-E739 WeakPolarHBondContact CE2-OE1 3.33Å; Y723-E739 VanDerWaalsContact CZ-OE1 3.29Å; Y723-E739 PolarHBondContact OH-OE1 3.37Å; I737-E739 PolarHBondContact O-N 3.06Å; I737-E739 VanDerWaalsContact O-N 3.11Å; E739-N741 VanDerWaalsContact C-N 3.3Å; E739-N741 PolarHBondContact O-N 3.21Å; E739-L742 PolarHBondContact O-N 3.41Å; E739-L743 HydrophobicContact CG-CD1 3.52Å; E739-L743 HydrophobicContact CG-CG 4.45Å; E739-L743 VanDerWaalsContact O-CD1 3.28Å; E739-L743 WeakPolarHBondContact O-CD1 3.22Å; E739-L743 WeakPolarHBondContact O-CG 3.24Å; E739-L743 PolarHBondContact O-N 3.3Å; E739-L743 VanDerWaalsContact O-N 3.09Å
740	R	94.7	Very high	96.3	Very high	192 Å²	192	41.7 Å²	41.7	73%	0.725	21%	0.207	S	C	*	.	H	α-helix	trans	-51.6	-44.1	173.1	179.6	178.6	176.6	171.5	0.6	113.2	P738 L743 L744	P738-R740 VanDerWaalsContact C-N 3.27Å; P738-R740 PolarHBondContact O-N 2.93Å; R740-L743 PolarHBondContact O-N 3.42Å; R740-L744 HydrophobicContact CG-CD1 3.91Å; R740-L744 HydrophobicContact CG-CG 4.38Å; R740-L744 WeakPolarHBondContact O-CG 3.46Å; R740-L744 PolarHBondContact O-N 3.48Å
741	N	96.2	Very high	96.3	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.08	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-43.8	-177.6	-67.2	24.2	0	0	0	111.2	P738 E739 L743 Y745 G844 D846 E849	P738-N741 HydrophobicContact CB-CB 4.07Å; P738-N741 HydrophobicContact CG-CB 4.42Å; P738-N741 WeakPolarHBondContact O-CB 3.25Å; P738-N741 PolarHBondContact O-N 3.13Å; E739-N741 VanDerWaalsContact C-N 3.3Å; E739-N741 PolarHBondContact O-N 3.21Å; N741-L743 PolarHBondContact O-N 3.21Å; N741-Y745 VanDerWaalsContact O-CB 3.27Å; N741-Y745 WeakPolarHBondContact O-CB 3.47Å; N741-Y745 PolarHBondContact O-N 2.98Å; N741-G844 VanDerWaalsContact CA-O 3.22Å; N741-G844 WeakPolarHBondContact CA-O 3.49Å; N741-G844 WeakPolarHBondContact CB-O 3.27Å; N741-G844 PolarHBondContact OD1-O 3.12Å; N741-D846 PolarHBondContact ND2-O 3.48Å; N741-E849 PolarHBondContact ND2-OE2 2.98Å
742	L	96.1	Very high	96.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-43.4	176.4	175.1	62.6	0	0	0	111	F722 Y723 V726 L732 I737 P738 E739 Y745 M746 V847	F722-L742 HydrophobicContact CD1-CD1 4.07Å; F722-L742 HydrophobicContact CD1-CD2 4.4Å; F722-L742 HydrophobicContact CE1-CD1 3.55Å; F722-L742 HydrophobicContact CE1-CD2 4.21Å; F722-L742 HydrophobicContact CE1-CG 4.43Å; Y723-L742 HydrophobicContact CD2-CD2 4.47Å; V726-L742 HydrophobicContact CG1-CD2 4.14Å; L732-L742 HydrophobicContact CD2-CD2 3.64Å; I737-L742 HydrophobicContact CG2-CB 3.92Å; P738-L742 PolarHBondContact O-N 3.13Å; P738-L742 VanDerWaalsContact O-N 3.12Å; E739-L742 PolarHBondContact O-N 3.41Å; L742-Y745 PolarHBondContact O-N 2.99Å; L742-M746 HydrophobicContact CD1-CG 3.73Å; L742-M746 HydrophobicContact CD1-SD 4.47Å; L742-M746 HydrophobicContact CG-CG 4.24Å; L742-M746 WeakPolarHBondContact O-CB 3.3Å; L742-M746 VanDerWaalsContact O-CG 3.32Å; L742-M746 WeakPolarHBondContact O-CG 3.4Å; L742-M746 PolarHBondContact O-N 3.27Å; L742-V847 HydrophobicContact CB-CG1 4.33Å; L742-V847 HydrophobicContact CD1-CG1 3.76Å; L742-V847 HydrophobicContact CD1-CG2 4.3Å
743	L	94.9	Very high	96.5	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-74.6	-40.1	-172.7	-66.7	164.8	0	0	0	113	P681 Y682 T719 Y723 E739 R740 N741 T747	P681-L743 HydrophobicContact CG-CD1 4.32Å; Y682-L743 HydrophobicContact CD1-CD2 4.22Å; Y682-L743 HydrophobicContact CD2-CD1 4.05Å; Y682-L743 HydrophobicContact CD2-CD2 3.4Å; Y682-L743 VanDerWaalsContact CD2-CD2 3.4Å; Y682-L743 HydrophobicContact CD2-CG 4.27Å; Y682-L743 HydrophobicContact CE1-CD2 3.92Å; Y682-L743 HydrophobicContact CE2-CB 4.1Å; Y682-L743 HydrophobicContact CE2-CD1 3.18Å; Y682-L743 HydrophobicContact CE2-CD2 3.16Å; Y682-L743 HydrophobicContact CE2-CG 3.58Å; Y682-L743 HydrophobicContact CG-CD2 4.03Å; Y682-L743 VanDerWaalsContact CZ-CD2 3.45Å; Y682-L743 WeakPolarHBondContact OH-CB 3.36Å; T719-L743 HydrophobicContact CG2-CD2 4.3Å; Y723-L743 HydrophobicContact CD2-CD2 3.41Å; Y723-L743 VanDerWaalsContact CD2-CD2 3.41Å; Y723-L743 HydrophobicContact CD2-CG 4.21Å; Y723-L743 HydrophobicContact CE2-CD1 4.36Å; Y723-L743 HydrophobicContact CE2-CD2 4.02Å; Y723-L743 HydrophobicContact CE2-CG 4.46Å; Y723-L743 HydrophobicContact CG-CD2 4.02Å; E739-L743 HydrophobicContact CG-CD1 3.52Å; E739-L743 HydrophobicContact CG-CG 4.45Å; E739-L743 VanDerWaalsContact O-CD1 3.28Å; E739-L743 WeakPolarHBondContact O-CD1 3.22Å; E739-L743 WeakPolarHBondContact O-CG 3.24Å; E739-L743 PolarHBondContact O-N 3.3Å; E739-L743 VanDerWaalsContact O-N 3.09Å; R740-L743 PolarHBondContact O-N 3.42Å; N741-L743 PolarHBondContact O-N 3.21Å; L743-T747 WeakPolarHBondContact O-CB 3.49Å; L743-T747 PolarHBondContact O-N 2.96Å; L743-T747 PolarHBondContact O-OG1 3.15Å
744	L	96	Very high	96.5	Very high	63 Å²	63	46.8 Å²	46.8	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-47.2	170.4	-71.1	174.1	0	0	0	110.4	R740 T747 A748	R740-L744 HydrophobicContact CG-CD1 3.91Å; R740-L744 HydrophobicContact CG-CG 4.38Å; R740-L744 WeakPolarHBondContact O-CG 3.46Å; R740-L744 PolarHBondContact O-N 3.48Å; L744-T747 PolarHBondContact O-N 2.82Å; L744-A748 WeakPolarHBondContact O-CB 3.36Å; L744-A748 PolarHBondContact O-N 3.09Å
745	Y	98	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-50.8	176.5	-177.9	-98.2	0	0	0	113.1	N741 L742 T747 A748 V749 F794 A836 L839 L840 H845 V847	N741-Y745 VanDerWaalsContact O-CB 3.27Å; N741-Y745 WeakPolarHBondContact O-CB 3.47Å; N741-Y745 PolarHBondContact O-N 2.98Å; L742-Y745 PolarHBondContact O-N 2.99Å; Y745-T747 VanDerWaalsContact C-N 3.35Å; Y745-T747 PolarHBondContact O-N 3.02Å; Y745-A748 PolarHBondContact O-N 3.05Å; Y745-V749 HydrophobicContact CD1-CG2 4.03Å; Y745-V749 HydrophobicContact CE1-CG2 3.48Å; Y745-V749 VanDerWaalsContact CE1-CG2 3.48Å; Y745-V749 HydrophobicContact CE2-CG2 4.1Å; Y745-V749 WeakPolarHBondContact O-CG2 3.5Å; Y745-V749 PolarHBondContact O-N 2.96Å; Y745-F794 HydrophobicContact CD1-CE2 4.02Å; Y745-F794 HydrophobicContact CD1-CZ 4.32Å; Y745-F794 HydrophobicContact CE1-CD2 4.49Å; Y745-F794 HydrophobicContact CE1-CE1 4.36Å; Y745-F794 AromaticContact CE1-CE2 3.42Å; Y745-F794 HydrophobicContact CE1-CE2 3.42Å; Y745-F794 VanDerWaalsContact CE1-CE2 3.42Å; Y745-F794 AromaticContact CE1-CZ 3.34Å; Y745-F794 HydrophobicContact CE1-CZ 3.34Å; Y745-F794 AromaticContact CZ-CZ 3.49Å; Y745-F794 VanDerWaalsContact CZ-CZ 3.49Å; Y745-F794 VanDerWaalsContact OH-CZ 3.3Å; Y745-F794 WeakPolarHBondContact OH-CZ 3.28Å; Y745-A836 WeakPolarHBondContact CE2-O 3.24Å; Y745-A836 PolarHBondContact OH-O 3.46Å; Y745-L839 HydrophobicContact CD2-CB 4.17Å; Y745-L839 HydrophobicContact CE2-CB 3.69Å; Y745-L840 HydrophobicContact CD2-CD2 3.65Å; Y745-L840 HydrophobicContact CD2-CG 4.18Å; Y745-L840 HydrophobicContact CE2-CB 4.49Å; Y745-L840 HydrophobicContact CE2-CD2 3.47Å; Y745-L840 VanDerWaalsContact CE2-CD2 3.47Å; Y745-L840 HydrophobicContact CE2-CG 3.59Å; Y745-L840 HydrophobicContact CG-CD2 4.33Å; Y745-H845 WeakPolarHBondContact CB-O 3.48Å; Y745-H845 HydrophobicContact CD2-CB 4.38Å; Y745-H845 WeakPolarHBondContact CD2-O 3.31Å; Y745-V847 VanDerWaalsContact CB-CG2 3.41Å; Y745-V847 HydrophobicContact CD1-CG2 3.59Å; Y745-V847 HydrophobicContact CD2-CG2 4.17Å; Y745-V847 HydrophobicContact CE1-CG2 4.44Å; Y745-V847 HydrophobicContact CG-CG2 3.43Å; Y745-V847 VanDerWaalsContact CG-CG2 3.43Å
746	M	97.6	Very high	96.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-37.3	-178.2	-73.9	-49.6	-49.5	0	0	112.4	L718 T719 F722 L742 V749 E750 A797	L718-M746 HydrophobicContact CD1-CE 4.31Å; L718-M746 HydrophobicContact CD2-CE 4.09Å; L718-M746 HydrophobicContact CG-CE 3.84Å; T719-M746 HydrophobicContact CG2-CB 3.91Å; T719-M746 PolarHBondContact OG1-O 3.09Å; F722-M746 HydrophobicContact CB-CE 4.16Å; F722-M746 HydrophobicContact CD1-CE 4.44Å; F722-M746 HydrophobicContact CD1-CG 3.82Å; F722-M746 HydrophobicContact CD1-SD 3.88Å; F722-M746 HydrophobicContact CD2-CE 4.39Å; F722-M746 HydrophobicContact CD2-SD 4.44Å; F722-M746 HydrophobicContact CE1-CG 4.29Å; F722-M746 HydrophobicContact CE1-SD 4.11Å; F722-M746 HydrophobicContact CG-CE 4.07Å; F722-M746 HydrophobicContact CG-CG 4.35Å; F722-M746 HydrophobicContact CG-SD 4.06Å; F722-M746 HydrophobicContact CZ-SD 4.46Å; L742-M746 HydrophobicContact CD1-CG 3.73Å; L742-M746 HydrophobicContact CD1-SD 4.47Å; L742-M746 HydrophobicContact CG-CG 4.24Å; L742-M746 WeakPolarHBondContact O-CB 3.3Å; L742-M746 VanDerWaalsContact O-CG 3.32Å; L742-M746 WeakPolarHBondContact O-CG 3.4Å; L742-M746 PolarHBondContact O-N 3.27Å; M746-V749 HydrophobicContact CE-CG1 4.41Å; M746-V749 PolarHBondContact O-N 3.27Å; M746-E750 VanDerWaalsContact O-CB 3.29Å; M746-E750 WeakPolarHBondContact O-CB 3.27Å; M746-E750 PolarHBondContact O-N 3.38Å; M746-A797 HydrophobicContact CE-CB 3.89Å
747	T	95.8	Very high	96.7	Very high	30 Å²	30	47 Å²	47	18%	0.184	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-45.7	172.9	-51.8	0	0	0	0	110.5	L743 L744 Y745 V749 E750 E751	L743-T747 WeakPolarHBondContact O-CB 3.49Å; L743-T747 PolarHBondContact O-N 2.96Å; L743-T747 PolarHBondContact O-OG1 3.15Å; L744-T747 PolarHBondContact O-N 2.82Å; Y745-T747 VanDerWaalsContact C-N 3.35Å; Y745-T747 PolarHBondContact O-N 3.02Å; T747-V749 PolarHBondContact O-N 2.91Å; T747-E750 PolarHBondContact O-N 3.48Å; T747-E751 WeakPolarHBondContact O-CB 3.19Å; T747-E751 WeakPolarHBondContact O-CG 3.31Å; T747-E751 PolarHBondContact O-N 3.29Å
748	A	97.4	Very high	96.8	Very high	9 Å²	9	47.2 Å²	47.2	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-32.6	177.7	0	0	0	0	0	113.4	L744 Y745 K752 L839	L744-A748 WeakPolarHBondContact O-CB 3.36Å; L744-A748 PolarHBondContact O-N 3.09Å; Y745-A748 PolarHBondContact O-N 3.05Å; A748-K752 VanDerWaalsContact O-CG 3.32Å; A748-K752 WeakPolarHBondContact O-CG 3.47Å; A748-K752 PolarHBondContact O-N 3.32Å; A748-L839 HydrophobicContact CB-CD2 4.31Å
749	V	98.2	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-47.3	170.4	165.4	0	0	0	0	110.4	L718 Y745 M746 T747 E751 K752 Y753 I798 V801 L839	L718-V749 HydrophobicContact CD2-CG1 4.12Å; Y745-V749 HydrophobicContact CD1-CG2 4.03Å; Y745-V749 HydrophobicContact CE1-CG2 3.48Å; Y745-V749 VanDerWaalsContact CE1-CG2 3.48Å; Y745-V749 HydrophobicContact CE2-CG2 4.1Å; Y745-V749 WeakPolarHBondContact O-CG2 3.5Å; Y745-V749 PolarHBondContact O-N 2.96Å; M746-V749 HydrophobicContact CE-CG1 4.41Å; M746-V749 PolarHBondContact O-N 3.27Å; T747-V749 PolarHBondContact O-N 2.91Å; V749-E751 VanDerWaalsContact C-N 3.33Å; V749-E751 PolarHBondContact O-N 2.93Å; V749-K752 WeakPolarHBondContact O-CA 3.35Å; V749-K752 PolarHBondContact O-N 3.43Å; V749-Y753 HydrophobicContact CG1-CD2 4.39Å; V749-Y753 HydrophobicContact CG1-CE2 3.97Å; V749-Y753 WeakPolarHBondContact O-CD2 3Å; V749-Y753 PolarHBondContact O-N 3.03Å; V749-I798 HydrophobicContact CG1-CG2 4.19Å; V749-I798 HydrophobicContact CG2-CG2 4.28Å; V749-V801 HydrophobicContact CG1-CB 4.49Å; V749-V801 HydrophobicContact CG1-CG2 4.09Å; V749-V801 WeakPolarHBondContact O-CG2 3.4Å; V749-L839 HydrophobicContact CB-CD1 4.42Å; V749-L839 HydrophobicContact CG2-CD1 3.7Å
750	E	97.3	Very high	97.1	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-35.9	-179.3	-175.4	153.6	-150.4	0	0	112.7	N716 P717 L718 T719 M746 T747 K752 Y753 R761	N716-E750 VanDerWaalsContact CA-CD 3.48Å; N716-E750 VanDerWaalsContact CA-OE1 3.26Å; N716-E750 WeakPolarHBondContact CA-OE1 3.35Å; N716-E750 WeakPolarHBondContact CA-OE2 3.49Å; N716-E750 VanDerWaalsContact CB-OE2 3.32Å; N716-E750 WeakPolarHBondContact CB-OE2 3.19Å; P717-E750 WeakPolarHBondContact CD-OE1 3.34Å; L718-E750 HydrophobicContact CB-CG 4.27Å; L718-E750 WeakPolarHBondContact CB-OE1 3.34Å; L718-E750 HydrophobicContact CD2-CB 4.38Å; L718-E750 PolarHBondContact N-OE1 2.88Å; T719-E750 WeakPolarHBondContact CB-OE2 3.35Å; T719-E750 PolarHBondContact N-OE2 2.97Å; T719-E750 PolarHBondContact OG1-OE2 2.96Å; M746-E750 VanDerWaalsContact O-CB 3.29Å; M746-E750 WeakPolarHBondContact O-CB 3.27Å; M746-E750 PolarHBondContact O-N 3.38Å; T747-E750 PolarHBondContact O-N 3.48Å; E750-K752 VanDerWaalsContact C-N 3.26Å; E750-K752 PolarHBondContact O-N 3.39Å; E750-Y753 PolarHBondContact O-N 2.92Å; E750-R761 HydrophobicContact CG-CB 3.83Å; E750-R761 HydrophobicContact CG-CG 4.28Å; E750-R761 WeakPolarHBondContact OE1-CD 3.45Å
751	E	96.8	Very high	97.3	Very high	149 Å²	149	38.1 Å²	38.1	70%	0.696	19%	0.189	S	C	*	.	H	α-helix	trans	-67.2	-20.9	170.8	-74.3	174.9	-175.8	0	0	113.9	T747 V749	T747-E751 WeakPolarHBondContact O-CB 3.19Å; T747-E751 WeakPolarHBondContact O-CG 3.31Å; T747-E751 PolarHBondContact O-N 3.29Å; V749-E751 VanDerWaalsContact C-N 3.33Å; V749-E751 PolarHBondContact O-N 2.93Å
752	K	98	Very high	97.4	Very high	108 Å²	108	37.6 Å²	37.6	47%	0.47	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.9	174.3	-67	-60.2	178.5	-165.8	0	113.5	A748 V749 E750 N754 V801 G802 I835 L839	A748-K752 VanDerWaalsContact O-CG 3.32Å; A748-K752 WeakPolarHBondContact O-CG 3.47Å; A748-K752 PolarHBondContact O-N 3.32Å; V749-K752 WeakPolarHBondContact O-CA 3.35Å; V749-K752 PolarHBondContact O-N 3.43Å; E750-K752 VanDerWaalsContact C-N 3.26Å; E750-K752 PolarHBondContact O-N 3.39Å; K752-N754 PolarHBondContact O-N 2.69Å; K752-V801 HydrophobicContact CB-CG2 3.54Å; K752-G802 VanDerWaalsContact O-CA 3.24Å; K752-G802 WeakPolarHBondContact O-CA 3.27Å; K752-G802 PolarHBondContact O-N 2.76Å; K752-I835 HydrophobicContact CB-CG2 4.22Å; K752-I835 HydrophobicContact CG-CG2 4.25Å; K752-L839 HydrophobicContact CG-CD1 4.24Å; K752-L839 HydrophobicContact CG-CD2 4.5Å
753	Y	98.4	Very high	97.5	Very high	14 Å²	14	37.5 Å²	37.5	6%	0.055	19%	0.186	C	C	.	.	S	Bend	trans	-79.5	116.2	165.5	-85.8	-85.6	0	0	0	110.4	L718 V749 E750 N760 R761 A764 A797 D800 V801	L718-Y753 HydrophobicContact CD2-CD2 4.02Å; L718-Y753 HydrophobicContact CD2-CE2 3.72Å; V749-Y753 HydrophobicContact CG1-CD2 4.39Å; V749-Y753 HydrophobicContact CG1-CE2 3.97Å; V749-Y753 WeakPolarHBondContact O-CD2 3Å; V749-Y753 PolarHBondContact O-N 3.03Å; E750-Y753 PolarHBondContact O-N 2.92Å; Y753-N760 VanDerWaalsContact CD1-C 3.41Å; Y753-R761 HydrophobicContact CD2-CB 4.49Å; Y753-R761 HydrophobicContact CG-CB 4.23Å; Y753-A764 HydrophobicContact CE1-CB 3.86Å; Y753-A764 HydrophobicContact CE2-CB 3.98Å; Y753-A764 VanDerWaalsContact CZ-CB 3.47Å; Y753-A764 WeakPolarHBondContact OH-CB 3.45Å; Y753-A797 PolarHBondContact OH-O 3.16Å; Y753-D800 HydrophobicContact CE1-CB 3.59Å; Y753-D800 WeakPolarHBondContact CE1-O 3.42Å; Y753-D800 PolarHBondContact OH-N 2.73Å; Y753-V801 HydrophobicContact CD2-CB 4.31Å; Y753-V801 HydrophobicContact CD2-CG2 4.03Å; Y753-V801 HydrophobicContact CE2-CB 3.79Å; Y753-V801 HydrophobicContact CE2-CG2 3.96Å; Y753-V801 PolarHBondContact OH-N 3.48Å
754	N	96.8	Very high	97.7	Very high	75 Å²	75	37.1 Å²	37.1	40%	0.401	18%	0.183	S	C	.	.			trans	-62.9	151.9	174	-67.5	-42.1	0	0	0	110.7	K752 N756 N760 H803	K752-N754 PolarHBondContact O-N 2.69Å; N754-N756 PolarHBondContact O-N 3.01Å; N754-N760 WeakPolarHBondContact O-CB 3.47Å; N754-H803 PolarHBondContact ND2-O 3.45Å
755	N	95.8	Very high	97.8	Very high	146 Å²	146	34.1 Å²	34.1	78%	0.781	17%	0.168	S	C	*	.			trans	-78.9	49	178.4	-165.2	48.9	0	0	0	112.2
756	N	97.7	Very high	97.8	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.128	17%	0.168	C	C	.	.			trans	-69.4	157.7	175	-53.8	-41.1	0	0	0	110.3	N754 Y758 H759 N760 H803 E938	N754-N756 PolarHBondContact O-N 3.01Å; N756-Y758 VanDerWaalsContact C-N 3.35Å; N756-Y758 PolarHBondContact O-N 3.35Å; N756-H759 PolarHBondContact ND2-O 2.86Å; N756-N760 PolarHBondContact O-ND2 2.79Å; N756-H803 PolarHBondContact ND2-O 3.33Å; N756-E938 VanDerWaalsContact CB-OE2 3.31Å; N756-E938 WeakPolarHBondContact CB-OE2 3.44Å
757	P	98.1	Very high	97.9	Very high	22 Å²	22	34.1 Å²	34.1	14%	0.143	17%	0.168	C	C	.	.	S	Bend	trans	-59	-41	177.4	-24	34.1	0	0	0	113.9	N760 R934 E937 E938	P757-N760 PolarHBondContact O-ND2 3.11Å; P757-R934 WeakPolarHBondContact CB-O 3.28Å; P757-R934 VanDerWaalsContact O-CB 3.31Å; P757-R934 WeakPolarHBondContact O-CB 3.32Å; P757-R934 WeakPolarHBondContact O-CD 3.41Å; P757-R934 VanDerWaalsContact O-CG 3.25Å; P757-R934 WeakPolarHBondContact O-CG 3.32Å; P757-R934 PolarHBondContact O-NH1 3.35Å; P757-E937 HydrophobicContact CB-CB 4.28Å; P757-E937 HydrophobicContact CB-CG 4.26Å; P757-E937 HydrophobicContact CG-CB 4.48Å; P757-E937 HydrophobicContact CG-CG 4.02Å; P757-E938 HydrophobicContact CB-CB 4.1Å; P757-E938 HydrophobicContact CG-CB 4.05Å
758	Y	98.7	Very high	98	Very high	13 Å²	13	32.7 Å²	32.7	5%	0.051	16%	0.159	C	C	.	.	S	Bend	trans	-115.2	-64.6	-175.8	-179.4	-89.7	0	0	0	113.4	N756 N760 H763 N920 W931 R934 V935 E938	N756-Y758 VanDerWaalsContact C-N 3.35Å; N756-Y758 PolarHBondContact O-N 3.35Å; Y758-N760 VanDerWaalsContact C-N 3.28Å; Y758-N760 PolarHBondContact O-N 3.11Å; Y758-N760 PolarHBondContact O-ND2 3.42Å; Y758-H763 AromaticContact CE1-CD2 3.75Å; Y758-H763 AromaticContact CE1-CE1 3.91Å; Y758-H763 AromaticContact CE1-NE2 3.66Å; Y758-H763 AromaticContact CZ-CE1 3.65Å; Y758-H763 AromaticContact CZ-ND1 3.75Å; Y758-H763 AromaticContact CZ-NE2 3.9Å; Y758-H763 VanDerWaalsContact O-CB 3.24Å; Y758-H763 WeakPolarHBondContact O-CB 3.46Å; Y758-H763 PolarHBondContact OH-CE1 3.21Å; Y758-H763 PolarHBondContact OH-ND1 3.17Å; Y758-N920 WeakPolarHBondContact CE2-ND2 3.29Å; Y758-N920 PolarHBondContact OH-ND2 3.14Å; Y758-W931 AromaticContact CD2-CE3 3.68Å; Y758-W931 HydrophobicContact CD2-CE3 3.68Å; Y758-W931 HydrophobicContact CD2-CZ3 4.19Å; Y758-W931 HydrophobicContact CE2-CD2 4.33Å; Y758-W931 AromaticContact CE2-CE3 3.69Å; Y758-W931 HydrophobicContact CE2-CE3 3.69Å; Y758-W931 HydrophobicContact CE2-CZ3 4.34Å; Y758-R934 HydrophobicContact CD2-CB 4.25Å; Y758-V935 HydrophobicContact CD1-CG2 4.39Å; Y758-V935 HydrophobicContact CD2-CB 3.64Å; Y758-V935 HydrophobicContact CD2-CG2 4.26Å; Y758-V935 HydrophobicContact CE2-CB 4.14Å; Y758-V935 HydrophobicContact CG-CB 3.91Å; Y758-V935 HydrophobicContact CG-CG2 4.17Å; Y758-E938 WeakPolarHBondContact CA-OE2 3.38Å; Y758-E938 WeakPolarHBondContact CB-OE2 3.3Å; Y758-E938 PolarHBondContact N-OE2 3.05Å
759	H	98.8	Very high	98.1	Very high	45 Å²	45	32.2 Å²	32.2	21%	0.208	16%	0.155	C	C	.	.	S	Bend	trans	-77.2	79.1	-174.1	-58.5	101.1	0	0	0	110.2	N756 D800 H803 E938	N756-H759 PolarHBondContact ND2-O 2.86Å; H759-D800 IonicContact CD2-OD2 3.49Å; H759-D800 PolarHBondContact CD2-OD2 3.08Å; H759-D800 VanDerWaalsContact CD2-OD2 3.25Å; H759-D800 IonicContact CG-OD2 2.91Å; H759-H803 HydrophobicContact CB-CB 3.91Å; H759-H803 VanDerWaalsContact CB-ND1 3.33Å; H759-H803 WeakPolarHBondContact CB-ND1 3.31Å; H759-H803 AromaticContact CE1-CE1 3.85Å; H759-H803 AromaticContact CG-CE1 3.63Å; H759-H803 AromaticContact CG-CG 3.99Å; H759-H803 AromaticContact CG-ND1 3.59Å; H759-H803 AromaticContact ND1-CE1 3.24Å; H759-H803 PolarHBondContact ND1-CE1 3.4Å; H759-H803 AromaticContact ND1-ND1 3.57Å; H759-H803 AromaticContact ND1-NE2 3.89Å; H759-E938 IonicContact CE1-OE1 3.87Å; H759-E938 IonicContact CG-OE1 3.99Å; H759-E938 PolarHBondContact N-OE2 3.41Å; H759-E938 IonicContact ND1-OE1 2.57Å; H759-E938 PolarHBondContact ND1-OE1 2.94Å; H759-E938 IonicContact ND1-OE2 2.78Å
760	N	98.4	Very high	98.1	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-140.3	-179.6	-174	65.5	44.6	0	0	0	111	Y753 N754 N756 P757 Y758 V762 H763 A764	Y753-N760 VanDerWaalsContact CD1-C 3.41Å; N754-N760 WeakPolarHBondContact O-CB 3.47Å; N756-N760 PolarHBondContact O-ND2 2.79Å; P757-N760 PolarHBondContact O-ND2 3.11Å; Y758-N760 VanDerWaalsContact C-N 3.28Å; Y758-N760 PolarHBondContact O-N 3.11Å; Y758-N760 PolarHBondContact O-ND2 3.42Å; N760-V762 PolarHBondContact O-N 3.22Å; N760-V762 VanDerWaalsContact O-N 3.16Å; N760-V762 WeakPolarHBondContact OD1-CA 3.47Å; N760-V762 VanDerWaalsContact OD1-CB 3.27Å; N760-V762 WeakPolarHBondContact OD1-CB 3.4Å; N760-V762 PolarHBondContact OD1-N 1.85Å; N760-H763 PolarHBondContact O-N 3.44Å; N760-H763 VanDerWaalsContact O-N 3.09Å; N760-H763 PolarHBondContact OD1-N 3.46Å; N760-A764 PolarHBondContact O-N 3.33Å; N760-A764 VanDerWaalsContact O-N 3.12Å
761	R	97.8	Very high	98.2	Very high	63 Å²	63	31.9 Å²	31.9	24%	0.238	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-28.7	-179.7	57.2	-173.8	164.1	72.9	18	114.8	D711 T715 P717 L718 E750 Y753 A765	D711-R761 IonicContact OD1-CZ 3.29Å; D711-R761 IonicContact OD1-NH1 3.93Å; D711-R761 PolarHBondContact OD1-NH1 3.3Å; D711-R761 IonicContact OD1-NH2 3.25Å; T715-R761 PolarHBondContact O-NH1 3.4Å; T715-R761 VanDerWaalsContact O-NH1 3.09Å; P717-R761 VanDerWaalsContact CD-NH1 3.3Å; P717-R761 HydrophobicContact CG-CG 4.33Å; L718-R761 HydrophobicContact CB-CB 4.35Å; E750-R761 HydrophobicContact CG-CB 3.83Å; E750-R761 HydrophobicContact CG-CG 4.28Å; E750-R761 WeakPolarHBondContact OE1-CD 3.45Å; Y753-R761 HydrophobicContact CD2-CB 4.49Å; Y753-R761 HydrophobicContact CG-CB 4.23Å; R761-A765 WeakPolarHBondContact O-CB 3.4Å; R761-A765 PolarHBondContact O-N 3.03Å
762	V	98.4	Very high	98.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-72.5	-40.4	177.6	-167.6	0	0	0	0	110.7	I707 F708 D711 P717 N760 A765 D766 W931	I707-V762 HydrophobicContact CG1-CG1 4.14Å; I707-V762 HydrophobicContact CG2-CG1 4.23Å; F708-V762 HydrophobicContact CD1-CG1 4.02Å; F708-V762 HydrophobicContact CE1-CG1 4.18Å; D711-V762 HydrophobicContact CB-CG1 4.18Å; D711-V762 HydrophobicContact CB-CG2 3.84Å; D711-V762 VanDerWaalsContact CG-CG2 3.43Å; P717-V762 HydrophobicContact CG-CG2 4.3Å; N760-V762 PolarHBondContact O-N 3.22Å; N760-V762 VanDerWaalsContact O-N 3.16Å; N760-V762 WeakPolarHBondContact OD1-CA 3.47Å; N760-V762 VanDerWaalsContact OD1-CB 3.27Å; N760-V762 WeakPolarHBondContact OD1-CB 3.4Å; N760-V762 PolarHBondContact OD1-N 1.85Å; V762-A765 PolarHBondContact O-N 2.98Å; V762-D766 PolarHBondContact O-N 2.84Å; V762-W931 HydrophobicContact CB-CH2 4.22Å; V762-W931 HydrophobicContact CG1-CH2 4Å; V762-W931 HydrophobicContact CG1-CZ2 4.43Å
763	H	98.7	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-46.4	175.2	175	49.6	0	0	0	110.9	Y758 N760 A765 D766 V767 H799 D800 D917 W931	Y758-H763 AromaticContact CE1-CD2 3.75Å; Y758-H763 AromaticContact CE1-CE1 3.91Å; Y758-H763 AromaticContact CE1-NE2 3.66Å; Y758-H763 AromaticContact CZ-CE1 3.65Å; Y758-H763 AromaticContact CZ-ND1 3.75Å; Y758-H763 AromaticContact CZ-NE2 3.9Å; Y758-H763 VanDerWaalsContact O-CB 3.24Å; Y758-H763 WeakPolarHBondContact O-CB 3.46Å; Y758-H763 PolarHBondContact OH-CE1 3.21Å; Y758-H763 PolarHBondContact OH-ND1 3.17Å; N760-H763 PolarHBondContact O-N 3.44Å; N760-H763 VanDerWaalsContact O-N 3.09Å; N760-H763 PolarHBondContact OD1-N 3.46Å; H763-A765 VanDerWaalsContact C-N 3.26Å; H763-A765 PolarHBondContact O-N 3.38Å; H763-D766 WeakPolarHBondContact O-CB 3.48Å; H763-D766 PolarHBondContact O-N 2.94Å; H763-V767 VanDerWaalsContact CE1-CG2 3.44Å; H763-V767 WeakPolarHBondContact CE1-CG2 3.39Å; H763-V767 WeakPolarHBondContact O-CG2 3.42Å; H763-V767 PolarHBondContact O-N 3.46Å; H763-H799 AromaticContact NE2-NE2 3.72Å; H763-D800 IonicContact CD2-OD2 3.68Å; H763-D800 PolarHBondContact CD2-OD2 2.88Å; H763-D800 VanDerWaalsContact CD2-OD2 3.29Å; H763-D800 IonicContact NE2-OD2 2.69Å; H763-D917 IonicContact CE1-OD1 3.54Å; H763-D917 IonicContact NE2-OD1 3.46Å; H763-W931 HydrophobicContact CB-CH2 3.9Å; H763-W931 HydrophobicContact CB-CZ3 4Å
764	A	98.8	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.2	-40.6	174	0	0	0	0	0	112.5	L718 Y753 N760 V767 V768	L718-A764 HydrophobicContact CD1-CB 3.95Å; L718-A764 HydrophobicContact CD2-CB 4.03Å; Y753-A764 HydrophobicContact CE1-CB 3.86Å; Y753-A764 HydrophobicContact CE2-CB 3.98Å; Y753-A764 VanDerWaalsContact CZ-CB 3.47Å; Y753-A764 WeakPolarHBondContact OH-CB 3.45Å; N760-A764 PolarHBondContact O-N 3.33Å; N760-A764 VanDerWaalsContact O-N 3.12Å; A764-V767 PolarHBondContact O-N 3.09Å; A764-V768 VanDerWaalsContact O-CG2 3.26Å; A764-V768 WeakPolarHBondContact O-CG2 3.41Å; A764-V768 PolarHBondContact O-N 3.47Å
765	A	98.5	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65	-39.9	175.9	0	0	0	0	0	112.5	I707 P717 L718 I721 R761 V762 H763 V768 Q769	I707-A765 HydrophobicContact CD1-CB 3.83Å; I707-A765 HydrophobicContact CG1-CB 4.18Å; P717-A765 HydrophobicContact CB-CB 4.41Å; L718-A765 HydrophobicContact CB-CB 4.28Å; L718-A765 HydrophobicContact CD1-CB 4.44Å; I721-A765 HydrophobicContact CB-CB 4.44Å; I721-A765 HydrophobicContact CG1-CB 4.38Å; R761-A765 WeakPolarHBondContact O-CB 3.4Å; R761-A765 PolarHBondContact O-N 3.03Å; V762-A765 PolarHBondContact O-N 2.98Å; H763-A765 VanDerWaalsContact C-N 3.26Å; H763-A765 PolarHBondContact O-N 3.38Å; A765-V768 PolarHBondContact O-N 3.36Å; A765-Q769 PolarHBondContact O-N 3.27Å
766	D	98.8	Very high	98.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-41.5	175.6	-166.9	23.5	0	0	0	111.9	I707 V762 H763 Q769 S770 K923 W931	I707-D766 HydrophobicContact CB-CB 4.45Å; I707-D766 HydrophobicContact CG1-CB 4.1Å; I707-D766 HydrophobicContact CG2-CB 4.1Å; V762-D766 PolarHBondContact O-N 2.84Å; H763-D766 WeakPolarHBondContact O-CB 3.48Å; H763-D766 PolarHBondContact O-N 2.94Å; D766-Q769 PolarHBondContact O-N 2.74Å; D766-S770 WeakPolarHBondContact O-CB 3.43Å; D766-S770 PolarHBondContact O-N 3.16Å; D766-S770 PolarHBondContact O-OG 3.39Å; D766-K923 IonicContact OD1-NZ 2.68Å; D766-K923 PolarHBondContact OD1-NZ 3.44Å; D766-K923 IonicContact OD2-NZ 2.76Å; D766-K923 PolarHBondContact OD2-NZ 2.96Å; D766-W931 HydrophobicContact CB-CZ2 3.86Å; D766-W931 PolarHBondContact OD2-NE1 2.9Å
767	V	98.8	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-45.2	176.4	179.6	0	0	0	0	110.8	H763 A764 Q769 S770 T771 C796 A916	H763-V767 VanDerWaalsContact CE1-CG2 3.44Å; H763-V767 WeakPolarHBondContact CE1-CG2 3.39Å; H763-V767 WeakPolarHBondContact O-CG2 3.42Å; H763-V767 PolarHBondContact O-N 3.46Å; A764-V767 PolarHBondContact O-N 3.09Å; V767-Q769 PolarHBondContact O-N 2.97Å; V767-S770 PolarHBondContact O-N 2.91Å; V767-T771 WeakPolarHBondContact O-CB 3.41Å; V767-T771 PolarHBondContact O-N 3.43Å; V767-T771 PolarHBondContact O-OG1 2.97Å; V767-C796 HydrophobicContact CG1-CB 3.95Å; V767-A916 HydrophobicContact CG1-CB 3.91Å
768	V	98.8	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.7	-45.6	174.7	170.2	0	0	0	0	111.7	L718 I721 F722 I725 A764 A765 H772 L793 C796 A797	L718-V768 HydrophobicContact CD1-CG2 4.09Å; I721-V768 HydrophobicContact CG2-CB 4.44Å; I721-V768 HydrophobicContact CG2-CG1 4.06Å; F722-V768 HydrophobicContact CD2-CG1 4.05Å; F722-V768 HydrophobicContact CD2-CG2 4.42Å; I725-V768 HydrophobicContact CD1-CG1 3.87Å; A764-V768 VanDerWaalsContact O-CG2 3.26Å; A764-V768 WeakPolarHBondContact O-CG2 3.41Å; A764-V768 PolarHBondContact O-N 3.47Å; A765-V768 PolarHBondContact O-N 3.36Å; V768-H772 PolarHBondContact O-N 2.8Å; V768-L793 HydrophobicContact CG1-CD2 4.36Å; V768-C796 HydrophobicContact CB-CB 4.42Å; V768-C796 HydrophobicContact CG2-CB 3.67Å; V768-A797 HydrophobicContact CG2-CB 3.69Å
769	Q	98.6	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.9	-41.1	179	-168.2	-87.7	-13.3	0	0	112.1	L700 L702 I705 I721 A765 D766 V767 T771 H772 V773	L700-Q769 HydrophobicContact CD1-CG 4.09Å; L700-Q769 PolarHBondContact O-NE2 3.25Å; L702-Q769 PolarHBondContact O-NE2 3.36Å; I705-Q769 HydrophobicContact CG2-CB 4.49Å; I705-Q769 VanDerWaalsContact CG2-CD 3.4Å; I705-Q769 HydrophobicContact CG2-CG 3.82Å; I721-Q769 HydrophobicContact CG2-CB 4Å; A765-Q769 PolarHBondContact O-N 3.27Å; D766-Q769 PolarHBondContact O-N 2.74Å; V767-Q769 PolarHBondContact O-N 2.97Å; Q769-T771 PolarHBondContact O-N 2.91Å; Q769-H772 WeakPolarHBondContact O-CA 3.37Å; Q769-H772 WeakPolarHBondContact O-CB 3.34Å; Q769-H772 PolarHBondContact O-N 3.2Å; Q769-H772 VanDerWaalsContact O-N 3.09Å; Q769-V773 VanDerWaalsContact NE2-CG2 3.33Å; Q769-V773 WeakPolarHBondContact O-CG2 3.38Å; Q769-V773 PolarHBondContact O-N 3.4Å
770	S	98.7	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-46.7	176.8	-62.4	0	0	0	0	110.9	D766 V767 H772 V773 L774 K923	D766-S770 WeakPolarHBondContact O-CB 3.43Å; D766-S770 PolarHBondContact O-N 3.16Å; D766-S770 PolarHBondContact O-OG 3.39Å; V767-S770 PolarHBondContact O-N 2.91Å; S770-H772 VanDerWaalsContact C-N 3.34Å; S770-H772 PolarHBondContact O-N 3.03Å; S770-V773 PolarHBondContact O-N 3Å; S770-L774 WeakPolarHBondContact O-CG 3.45Å; S770-L774 PolarHBondContact O-N 3.38Å; S770-K923 VanDerWaalsContact OG-CE 3.31Å; S770-K923 WeakPolarHBondContact OG-CE 3.12Å; S770-K923 PolarHBondContact OG-NZ 2.96Å
771	T	98.7	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-39.5	173.1	-64.7	0	0	0	0	112.2	V767 Q769 V773 L774 L775 V792 L793 C796 M912 A916	V767-T771 WeakPolarHBondContact O-CB 3.41Å; V767-T771 PolarHBondContact O-N 3.43Å; V767-T771 PolarHBondContact O-OG1 2.97Å; Q769-T771 PolarHBondContact O-N 2.91Å; T771-V773 VanDerWaalsContact C-N 3.3Å; T771-V773 PolarHBondContact O-N 3.03Å; T771-L774 PolarHBondContact O-N 3.18Å; T771-L775 HydrophobicContact CG2-CD1 4.21Å; T771-L775 HydrophobicContact CG2-CG 4.48Å; T771-L775 WeakPolarHBondContact O-CB 3.36Å; T771-L775 WeakPolarHBondContact O-CG 3.37Å; T771-L775 PolarHBondContact O-N 3.36Å; T771-V792 HydrophobicContact CG2-CG1 4.19Å; T771-V792 HydrophobicContact CG2-CG2 3.9Å; T771-L793 HydrophobicContact CG2-CD2 4.36Å; T771-C796 PolarHBondContact OG1-SG 3.28Å; T771-M912 HydrophobicContact CG2-CG 4.4Å; T771-M912 HydrophobicContact CG2-SD 4.03Å; T771-A916 WeakPolarHBondContact OG1-CB 3.31Å
772	H	98.2	Very high	95.4	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.032	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-38.8	173.7	168.8	86.6	0	0	0	112.6	L700 D701 I725 R729 V768 Q769 S770 N776 L793	L700-H772 PolarHBondContact O-CD2 3.27Å; D701-H772 WeakPolarHBondContact CA-NE2 3.32Å; D701-H772 IonicContact OD1-CD2 3.01Å; D701-H772 IonicContact OD1-CE1 2.93Å; D701-H772 IonicContact OD1-NE2 3.2Å; D701-H772 PolarHBondContact OD1-NE2 3.42Å; D701-H772 IonicContact OD2-NE2 2.69Å; I725-H772 HydrophobicContact CD1-CB 3.7Å; I725-H772 HydrophobicContact CG1-CB 4.14Å; I725-H772 HydrophobicContact CG2-CB 4.13Å; I725-H772 WeakPolarHBondContact CG2-ND1 3.43Å; R729-H772 VanDerWaalsContact CZ-ND1 3.33Å; R729-H772 PolarHBondContact NE-CE1 2.99Å; R729-H772 PolarHBondContact NE-ND1 3.07Å; R729-H772 PolarHBondContact NH2-ND1 3.44Å; R729-H772 PolarHBondContact NH2-O 2.86Å; V768-H772 PolarHBondContact O-N 2.8Å; Q769-H772 WeakPolarHBondContact O-CA 3.37Å; Q769-H772 WeakPolarHBondContact O-CB 3.34Å; Q769-H772 PolarHBondContact O-N 3.2Å; Q769-H772 VanDerWaalsContact O-N 3.09Å; S770-H772 VanDerWaalsContact C-N 3.34Å; S770-H772 PolarHBondContact O-N 3.03Å; H772-N776 PolarHBondContact O-ND2 3.31Å; H772-L793 HydrophobicContact CB-CD2 4.18Å
773	V	97.9	Very high	95	Very high	23 Å²	23	26 Å²	26	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-70.3	-43.6	175.2	-179.5	0	0	0	0	111.1	W703 Q769 S770 T771 L775 N776	W703-V773 HydrophobicContact CB-CG1 4.34Å; W703-V773 HydrophobicContact CE3-CB 4.07Å; W703-V773 HydrophobicContact CE3-CG1 4Å; Q769-V773 VanDerWaalsContact NE2-CG2 3.33Å; Q769-V773 WeakPolarHBondContact O-CG2 3.38Å; Q769-V773 PolarHBondContact O-N 3.4Å; S770-V773 PolarHBondContact O-N 3Å; T771-V773 VanDerWaalsContact C-N 3.3Å; T771-V773 PolarHBondContact O-N 3.03Å; V773-L775 VanDerWaalsContact C-N 3.28Å; V773-L775 PolarHBondContact O-N 3.5Å; V773-N776 WeakPolarHBondContact O-CB 3.15Å; V773-N776 PolarHBondContact O-N 3.33Å
774	L	97.6	Very high	94.8	Very high	8 Å²	8	27 Å²	27	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-32.8	178.7	-68.6	-178.7	0	0	0	113.3	W703 S770 T771 N776 A777 M912 C915 A916 W980 W983 I994	W703-L774 HydrophobicContact CZ3-CD2 4.25Å; W703-L774 HydrophobicContact CZ3-CG 4.16Å; S770-L774 WeakPolarHBondContact O-CG 3.45Å; S770-L774 PolarHBondContact O-N 3.38Å; T771-L774 PolarHBondContact O-N 3.18Å; L774-N776 PolarHBondContact O-N 3.17Å; L774-A777 WeakPolarHBondContact O-CB 3.26Å; L774-A777 PolarHBondContact O-N 2.91Å; L774-M912 HydrophobicContact CB-CG 3.9Å; L774-M912 HydrophobicContact CB-SD 4.21Å; L774-M912 HydrophobicContact CD1-CG 3.99Å; L774-C915 HydrophobicContact CD1-CB 4.09Å; L774-A916 HydrophobicContact CD1-CB 4.4Å; L774-W980 HydrophobicContact CD1-CH2 4.18Å; L774-W980 HydrophobicContact CD2-CH2 3.98Å; L774-W980 HydrophobicContact CD2-CZ3 4.04Å; L774-W983 HydrophobicContact CB-CZ2 4.35Å; L774-W983 HydrophobicContact CD1-CZ2 4.44Å; L774-W983 HydrophobicContact CD2-CZ2 4.46Å; L774-I994 HydrophobicContact CD2-CD1 4.26Å
775	L	96.7	Very high	94.6	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.084	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.8	172.8	-77.8	167.7	0	0	0	114.1	T771 V773 F784 I789 V792 L793 M912	T771-L775 HydrophobicContact CG2-CD1 4.21Å; T771-L775 HydrophobicContact CG2-CG 4.48Å; T771-L775 WeakPolarHBondContact O-CB 3.36Å; T771-L775 WeakPolarHBondContact O-CG 3.37Å; T771-L775 PolarHBondContact O-N 3.36Å; V773-L775 VanDerWaalsContact C-N 3.28Å; V773-L775 PolarHBondContact O-N 3.5Å; L775-F784 HydrophobicContact CD2-CD2 4.01Å; L775-F784 HydrophobicContact CD2-CE2 4.44Å; L775-I789 HydrophobicContact CD1-CG2 4.25Å; L775-I789 HydrophobicContact CD2-CG1 4.35Å; L775-V792 HydrophobicContact CD1-CG1 4Å; L775-V792 HydrophobicContact CD2-CG1 4.42Å; L775-L793 HydrophobicContact CD1-CD2 4.36Å; L775-L793 HydrophobicContact CD1-CG 4.37Å; L775-M912 HydrophobicContact CD2-CE 3.92Å; L775-M912 HydrophobicContact CD2-SD 3.73Å; L775-M912 HydrophobicContact CG-CE 4.32Å; L775-M912 HydrophobicContact CG-SD 3.71Å
776	N	94.4	Very high	94.5	Very high	73 Å²	73	32.7 Å²	32.7	39%	0.39	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.7	-179.9	-60.1	-24.7	0	0	0	113.4	R729 H772 V773 L774 Q778	R729-N776 PolarHBondContact NH2-OD1 2.87Å; H772-N776 PolarHBondContact O-ND2 3.31Å; V773-N776 WeakPolarHBondContact O-CB 3.15Å; V773-N776 PolarHBondContact O-N 3.33Å; L774-N776 PolarHBondContact O-N 3.17Å; N776-Q778 PolarHBondContact O-N 3.28Å
777	A	93.2	Very high	94.4	Very high	10 Å²	10	33.6 Å²	33.6	8%	0.083	18%	0.184	C	C	.	.			trans	-58.6	128	174.4	0	0	0	0	0	110.9	L774 S779 L780 E781 V987 D990	L774-A777 WeakPolarHBondContact O-CB 3.26Å; L774-A777 PolarHBondContact O-N 2.91Å; A777-S779 PolarHBondContact O-N 3.45Å; A777-L780 HydrophobicContact CB-CB 4.46Å; A777-L780 HydrophobicContact CB-CD1 4.18Å; A777-L780 HydrophobicContact CB-CG 4.28Å; A777-L780 WeakPolarHBondContact O-CA 3.32Å; A777-L780 PolarHBondContact O-N 3.09Å; A777-E781 PolarHBondContact O-N 3.16Å; A777-V987 HydrophobicContact CB-CB 4.31Å; A777-V987 HydrophobicContact CB-CG1 4.46Å; A777-D990 HydrophobicContact CB-CB 3.8Å; A777-D990 WeakPolarHBondContact CB-OD2 3.4Å
778	Q	90.3	Very high	94.4	Very high	137 Å²	137	33.8 Å²	33.8	64%	0.64	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-58.8	-34.3	-177.1	-178.6	170.8	45.2	0	0	112.1	N776 L780 E781 D990	N776-Q778 PolarHBondContact O-N 3.28Å; Q778-L780 PolarHBondContact O-N 3.33Å; Q778-E781 VanDerWaalsContact O-CB 3.28Å; Q778-E781 WeakPolarHBondContact O-CB 3.49Å; Q778-E781 PolarHBondContact O-N 3.09Å; Q778-E781 VanDerWaalsContact O-N 3.16Å; Q778-D990 PolarHBondContact N-OD1 2.96Å; Q778-D990 PolarHBondContact N-OD2 3.45Å
779	S	86.4	Confident	94.3	Very high	10 Å²	10	34.9 Å²	34.9	7%	0.07	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.9	-12.8	176	54	0	0	0	0	115.2	A777 V987 D990	A777-S779 PolarHBondContact O-N 3.45Å; S779-V987 WeakPolarHBondContact OG-CA 3.38Å; S779-V987 WeakPolarHBondContact OG-CB 3.49Å; S779-V987 PolarHBondContact OG-O 3.11Å; S779-D990 PolarHBondContact N-OD2 2.91Å; S779-D990 VanDerWaalsContact N-OD2 3.11Å; S779-D990 PolarHBondContact OG-OD2 2.93Å
780	L	89.6	Confident	94.3	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.026	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-110.6	2.7	176	-59.7	177.4	0	0	0	113	A777 Q778 S782 V783 F784 L897 I908 M912 W983 V987	A777-L780 HydrophobicContact CB-CB 4.46Å; A777-L780 HydrophobicContact CB-CD1 4.18Å; A777-L780 HydrophobicContact CB-CG 4.28Å; A777-L780 WeakPolarHBondContact O-CA 3.32Å; A777-L780 PolarHBondContact O-N 3.09Å; Q778-L780 PolarHBondContact O-N 3.33Å; L780-S782 PolarHBondContact O-N 3.12Å; L780-V783 WeakPolarHBondContact O-CB 3.35Å; L780-V783 WeakPolarHBondContact O-CG2 3.36Å; L780-V783 PolarHBondContact O-N 3Å; L780-V783 VanDerWaalsContact O-N 3.13Å; L780-F784 HydrophobicContact CB-CE2 4.36Å; L780-F784 HydrophobicContact CD1-CE2 4.32Å; L780-F784 HydrophobicContact CD2-CE2 4.24Å; L780-L897 HydrophobicContact CD2-CD1 3.71Å; L780-I908 HydrophobicContact CD2-CD1 4.23Å; L780-I908 HydrophobicContact CD2-CG2 4.4Å; L780-M912 HydrophobicContact CD1-CE 3.54Å; L780-W983 HydrophobicContact CD1-CH2 4.21Å; L780-W983 HydrophobicContact CD1-CZ2 4.1Å; L780-V987 HydrophobicContact CD1-CG1 4.03Å; L780-V987 HydrophobicContact CG-CG1 4.15Å
781	E	86.9	Confident	94.3	Very high	127 Å²	127	34.9 Å²	34.9	59%	0.593	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	128.6	177.7	-172.4	176.6	-172.8	0	0	110.8	A777 Q778 V783	A777-E781 PolarHBondContact O-N 3.16Å; Q778-E781 VanDerWaalsContact O-CB 3.28Å; Q778-E781 WeakPolarHBondContact O-CB 3.49Å; Q778-E781 PolarHBondContact O-N 3.09Å; Q778-E781 VanDerWaalsContact O-N 3.16Å; E781-V783 PolarHBondContact O-N 3.46Å; E781-V783 VanDerWaalsContact O-N 3.11Å
782	S	85.3	Confident	94.3	Very high	113 Å²	113	34.9 Å²	34.9	79%	0.79	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	5	-176.4	72.5	0	0	0	0	117.5	L780	L780-S782 PolarHBondContact O-N 3.12Å
783	V	90.1	Very high	94.3	Very high	17 Å²	17	34.6 Å²	34.6	10%	0.103	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-36.7	-179.5	176.1	0	0	0	0	112.6	L780 E781 L897 L899	L780-V783 WeakPolarHBondContact O-CB 3.35Å; L780-V783 WeakPolarHBondContact O-CG2 3.36Å; L780-V783 PolarHBondContact O-N 3Å; L780-V783 VanDerWaalsContact O-N 3.13Å; E781-V783 PolarHBondContact O-N 3.46Å; E781-V783 VanDerWaalsContact O-N 3.11Å; V783-L897 HydrophobicContact CG2-CB 4.4Å; V783-L897 WeakPolarHBondContact CG2-O 3.16Å; V783-L899 HydrophobicContact CG1-CB 4.38Å; V783-L899 HydrophobicContact CG1-CD1 3.71Å; V783-L899 HydrophobicContact CG1-CG 4.27Å
784	F	94.4	Very high	94.3	Very high	19 Å²	19	33.5 Å²	33.5	8%	0.083	18%	0.183	C	C	.	.	S	Bend	trans	-103.7	141	-177.6	-58.4	-64.5	0	0	0	112.1	L775 L780 E788 I789 R905 I908 L909 M912	L775-F784 HydrophobicContact CD2-CD2 4.01Å; L775-F784 HydrophobicContact CD2-CE2 4.44Å; L780-F784 HydrophobicContact CB-CE2 4.36Å; L780-F784 HydrophobicContact CD1-CE2 4.32Å; L780-F784 HydrophobicContact CD2-CE2 4.24Å; F784-E788 HydrophobicContact CB-CB 4.18Å; F784-E788 HydrophobicContact CD1-CB 4.48Å; F784-I789 HydrophobicContact CB-CD1 4.45Å; F784-I789 HydrophobicContact CB-CG1 3.98Å; F784-R905 HydrophobicContact CE1-CB 4.16Å; F784-I908 HydrophobicContact CE2-CG2 4.47Å; F784-I908 HydrophobicContact CZ-CB 3.98Å; F784-I908 HydrophobicContact CZ-CG2 3.73Å; F784-L909 HydrophobicContact CD1-CD1 4.27Å; F784-L909 HydrophobicContact CD1-CD2 3.76Å; F784-L909 HydrophobicContact CD1-CG 4.05Å; F784-L909 HydrophobicContact CD2-CD2 4.41Å; F784-L909 HydrophobicContact CE1-CD1 4.25Å; F784-L909 HydrophobicContact CE1-CD2 3.57Å; F784-L909 HydrophobicContact CE1-CG 3.63Å; F784-L909 HydrophobicContact CE2-CD2 4.24Å; F784-L909 HydrophobicContact CG-CD2 4.19Å; F784-L909 HydrophobicContact CZ-CD2 3.82Å; F784-L909 HydrophobicContact CZ-CG 4.19Å; F784-M912 HydrophobicContact CE2-CE 3.94Å; F784-M912 HydrophobicContact CZ-CE 4.49Å
785	T	94.9	Very high	94.4	Very high	60 Å²	60	33.1 Å²	33.1	37%	0.368	18%	0.181	S	C	.	.			trans	-71	157.8	169.8	62.4	0	0	0	0	111.2	L787 E788 I789	T785-L787 PolarHBondContact O-N 2.82Å; T785-L787 VanDerWaalsContact O-N 3.1Å; T785-E788 WeakPolarHBondContact CB-OE2 3.48Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.28Å; T785-E788 PolarHBondContact N-OE2 3.29Å; T785-E788 WeakPolarHBondContact O-CB 3.37Å; T785-E788 PolarHBondContact O-N 2.72Å; T785-E788 VanDerWaalsContact O-N 3.1Å; T785-E788 WeakPolarHBondContact OG1-CG 3.45Å; T785-E788 PolarHBondContact OG1-N 3.13Å; T785-E788 PolarHBondContact OG1-OE2 3.26Å; T785-I789 WeakPolarHBondContact O-CG1 3.49Å; T785-I789 PolarHBondContact O-N 3.22Å
786	D	96.4	Very high	94.5	Very high	60 Å²	60	32.4 Å²	32.4	32%	0.321	18%	0.177	S	C	.	.	H	α-helix	trans	-55.5	-29	173.2	-73.8	-52	0	0	0	112.9	L731 K734 F735 F790	L731-D786 HydrophobicContact CD2-CB 4.21Å; K734-D786 HydrophobicContact CD-CB 4.27Å; K734-D786 WeakPolarHBondContact CD-OD2 3.24Å; K734-D786 WeakPolarHBondContact CE-OD2 3.38Å; K734-D786 IonicContact NZ-OD1 2.65Å; K734-D786 PolarHBondContact NZ-OD1 2.79Å; K734-D786 IonicContact NZ-OD2 3.9Å; K734-D786 PolarHBondContact NZ-OD2 2.85Å; F735-D786 HydrophobicContact CE2-CB 3.9Å; F735-D786 WeakPolarHBondContact CE2-O 3.36Å; F735-D786 VanDerWaalsContact CZ-C 3.5Å; F735-D786 HydrophobicContact CZ-CB 3.75Å; D786-F790 WeakPolarHBondContact O-CB 3.09Å; D786-F790 PolarHBondContact O-N 3.44Å
787	L	96.9	Very high	94.7	Very high	20 Å²	20	28.9 Å²	28.9	11%	0.105	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-45.6	179.1	-170.8	71.6	0	0	0	110.4	F735 T785 F790 T791 F851 Q855 S859 M862	F735-L787 HydrophobicContact CD1-CD1 4.46Å; F735-L787 HydrophobicContact CE1-CB 4.35Å; F735-L787 HydrophobicContact CE1-CD1 3.77Å; F735-L787 HydrophobicContact CZ-CB 4.03Å; F735-L787 HydrophobicContact CZ-CD1 4.04Å; T785-L787 PolarHBondContact O-N 2.82Å; T785-L787 VanDerWaalsContact O-N 3.1Å; L787-F790 PolarHBondContact O-N 3.25Å; L787-T791 WeakPolarHBondContact O-CB 3.26Å; L787-T791 WeakPolarHBondContact O-CG2 3.47Å; L787-T791 PolarHBondContact O-N 3.43Å; L787-T791 PolarHBondContact O-OG1 3.29Å; L787-F851 HydrophobicContact CD1-CD2 4.07Å; L787-F851 HydrophobicContact CD1-CE2 3.62Å; L787-Q855 HydrophobicContact CD1-CB 4.36Å; L787-Q855 HydrophobicContact CD2-CB 4.27Å; L787-Q855 HydrophobicContact CD2-CG 4.24Å; L787-S859 WeakPolarHBondContact CD1-OG 3.37Å; L787-M862 HydrophobicContact CD2-CE 4.06Å; L787-M862 HydrophobicContact CG-CE 4.03Å
788	E	97.5	Very high	95	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-47.3	174.1	-75.9	158.1	145.7	0	0	110.6	F784 T785 F790 T791 V792 M862 R905 L909	F784-E788 HydrophobicContact CB-CB 4.18Å; F784-E788 HydrophobicContact CD1-CB 4.48Å; T785-E788 WeakPolarHBondContact CB-OE2 3.48Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.28Å; T785-E788 PolarHBondContact N-OE2 3.29Å; T785-E788 WeakPolarHBondContact O-CB 3.37Å; T785-E788 PolarHBondContact O-N 2.72Å; T785-E788 VanDerWaalsContact O-N 3.1Å; T785-E788 WeakPolarHBondContact OG1-CG 3.45Å; T785-E788 PolarHBondContact OG1-N 3.13Å; T785-E788 PolarHBondContact OG1-OE2 3.26Å; E788-F790 PolarHBondContact O-N 3.38Å; E788-T791 WeakPolarHBondContact CA-OG1 3.16Å; E788-T791 PolarHBondContact O-N 2.89Å; E788-T791 PolarHBondContact O-OG1 3.43Å; E788-V792 WeakPolarHBondContact O-CG1 3.41Å; E788-V792 PolarHBondContact O-N 3.28Å; E788-M862 HydrophobicContact CG-CE 4.13Å; E788-M862 HydrophobicContact CG-SD 3.61Å; E788-R905 IonicContact OE1-CZ 3.62Å; E788-R905 IonicContact OE1-NE 3.79Å; E788-R905 PolarHBondContact OE1-NE 2.86Å; E788-R905 IonicContact OE1-NH2 3.6Å; E788-R905 PolarHBondContact OE1-NH2 3.4Å; E788-R905 IonicContact OE2-CZ 2.59Å; E788-R905 IonicContact OE2-NE 2.65Å; E788-R905 IonicContact OE2-NH2 2.75Å; E788-R905 PolarHBondContact OE2-NH2 3.18Å; E788-L909 HydrophobicContact CB-CD1 4.05Å; E788-L909 HydrophobicContact CG-CD1 4.1Å
789	I	98	Very high	95.4	Very high	24 Å²	24	21.9 Å²	21.9	12%	0.123	12%	0.124	C	C	.	.	H	α-helix	trans	-57.4	-47.1	176.2	-67.3	170.9	0	0	0	111.8	L731 L775 F784 T785 V792 L793	L731-I789 HydrophobicContact CD1-CG2 4.07Å; L731-I789 HydrophobicContact CD2-CG2 4.44Å; L775-I789 HydrophobicContact CD1-CG2 4.25Å; L775-I789 HydrophobicContact CD2-CG1 4.35Å; F784-I789 HydrophobicContact CB-CD1 4.45Å; F784-I789 HydrophobicContact CB-CG1 3.98Å; T785-I789 WeakPolarHBondContact O-CG1 3.49Å; T785-I789 PolarHBondContact O-N 3.22Å; I789-V792 WeakPolarHBondContact O-CG1 3.06Å; I789-L793 HydrophobicContact CG2-CD1 4.23Å; I789-L793 WeakPolarHBondContact O-CD1 3.13Å; I789-L793 VanDerWaalsContact O-CG 3.31Å; I789-L793 WeakPolarHBondContact O-CG 3.39Å; I789-L793 PolarHBondContact O-N 2.94Å
790	F	98.3	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-43.3	176.7	-178.8	-110.3	0	0	0	111.7	F722 V726 L731 F735 I737 D786 L787 E788 F794 V847 F848 F851	F722-F790 HydrophobicContact CE1-CE2 4.41Å; F722-F790 HydrophobicContact CZ-CE2 4.18Å; V726-F790 HydrophobicContact CG1-CD2 4.41Å; V726-F790 HydrophobicContact CG1-CE2 4.16Å; V726-F790 HydrophobicContact CG2-CD2 4.35Å; V726-F790 HydrophobicContact CG2-CE2 4.25Å; L731-F790 HydrophobicContact CB-CD2 4.28Å; L731-F790 HydrophobicContact CD1-CB 4.17Å; L731-F790 HydrophobicContact CD1-CD2 4.14Å; F735-F790 HydrophobicContact CD2-CB 4.4Å; F735-F790 HydrophobicContact CE2-CB 4.06Å; I737-F790 HydrophobicContact CD1-CD2 4.2Å; I737-F790 HydrophobicContact CD1-CE1 4.06Å; I737-F790 HydrophobicContact CD1-CE2 3.62Å; I737-F790 HydrophobicContact CD1-CZ 3.55Å; D786-F790 WeakPolarHBondContact O-CB 3.09Å; D786-F790 PolarHBondContact O-N 3.44Å; L787-F790 PolarHBondContact O-N 3.25Å; E788-F790 PolarHBondContact O-N 3.38Å; F790-F794 HydrophobicContact CE1-CD2 4.39Å; F790-F794 HydrophobicContact CZ-CD2 4.2Å; F790-F794 WeakPolarHBondContact O-CB 3.49Å; F790-F794 PolarHBondContact O-N 2.82Å; F790-V847 HydrophobicContact CZ-CG1 3.84Å; F790-F848 HydrophobicContact CD1-CE1 4.28Å; F790-F848 HydrophobicContact CE1-CD1 4.3Å; F790-F848 AromaticContact CE1-CE1 3.68Å; F790-F848 HydrophobicContact CE1-CE1 3.68Å; F790-F848 HydrophobicContact CE1-CZ 4.27Å; F790-F851 HydrophobicContact CD1-CE2 4.34Å; F790-F851 AromaticContact CD1-CZ 3.96Å; F790-F851 HydrophobicContact CD1-CZ 3.96Å; F790-F851 AromaticContact CE1-CZ 3.91Å; F790-F851 HydrophobicContact CE1-CZ 3.91Å
791	T	98.3	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73	-30.4	-175.9	58	0	0	0	0	114.4	L787 E788 A795 M862 I863 M866	L787-T791 WeakPolarHBondContact O-CB 3.26Å; L787-T791 WeakPolarHBondContact O-CG2 3.47Å; L787-T791 PolarHBondContact O-N 3.43Å; L787-T791 PolarHBondContact O-OG1 3.29Å; E788-T791 WeakPolarHBondContact CA-OG1 3.16Å; E788-T791 PolarHBondContact O-N 2.89Å; E788-T791 PolarHBondContact O-OG1 3.43Å; T791-A795 WeakPolarHBondContact O-CB 3.46Å; T791-A795 PolarHBondContact O-N 3.2Å; T791-M862 HydrophobicContact CG2-CE 3.95Å; T791-M862 WeakPolarHBondContact OG1-CE 3.21Å; T791-I863 HydrophobicContact CG2-CD1 4.28Å; T791-I863 HydrophobicContact CG2-CG1 4.36Å; T791-M866 WeakPolarHBondContact O-CE 3.49Å
792	V	98.7	Very high	96.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.4	-43.2	175.2	69.1	0	0	0	0	110.7	T771 L775 E788 I789 F794 A795 C796 M866 L909 V913	T771-V792 HydrophobicContact CG2-CG1 4.19Å; T771-V792 HydrophobicContact CG2-CG2 3.9Å; L775-V792 HydrophobicContact CD1-CG1 4Å; L775-V792 HydrophobicContact CD2-CG1 4.42Å; E788-V792 WeakPolarHBondContact O-CG1 3.41Å; E788-V792 PolarHBondContact O-N 3.28Å; I789-V792 WeakPolarHBondContact O-CG1 3.06Å; V792-F794 VanDerWaalsContact C-N 3.33Å; V792-F794 PolarHBondContact O-N 3.4Å; V792-A795 PolarHBondContact O-N 3.41Å; V792-C796 PolarHBondContact O-N 3.06Å; V792-C796 PolarHBondContact O-SG 3.28Å; V792-M866 HydrophobicContact CB-CE 4.17Å; V792-M866 HydrophobicContact CB-SD 3.76Å; V792-M866 HydrophobicContact CG2-SD 3.64Å; V792-L909 HydrophobicContact CB-CD2 4.11Å; V792-L909 HydrophobicContact CG1-CD2 4.26Å; V792-L909 HydrophobicContact CG2-CD2 4.18Å; V792-V913 HydrophobicContact CG2-CG2 3.49Å; V792-V913 VanDerWaalsContact CG2-CG2 3.49Å
793	L	98.8	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.1	-45.1	172.6	-67.5	168.2	0	0	0	111	F722 I725 L731 V768 T771 H772 L775 I789 A795 C796 A797	F722-L793 HydrophobicContact CE2-CB 4.08Å; F722-L793 WeakPolarHBondContact CE2-O 3.46Å; I725-L793 HydrophobicContact CG2-CD1 3.6Å; I725-L793 HydrophobicContact CG2-CD2 3.97Å; I725-L793 HydrophobicContact CG2-CG 4.42Å; L731-L793 HydrophobicContact CD1-CD1 4.13Å; V768-L793 HydrophobicContact CG1-CD2 4.36Å; T771-L793 HydrophobicContact CG2-CD2 4.36Å; H772-L793 HydrophobicContact CB-CD2 4.18Å; L775-L793 HydrophobicContact CD1-CD2 4.36Å; L775-L793 HydrophobicContact CD1-CG 4.37Å; I789-L793 HydrophobicContact CG2-CD1 4.23Å; I789-L793 WeakPolarHBondContact O-CD1 3.13Å; I789-L793 VanDerWaalsContact O-CG 3.31Å; I789-L793 WeakPolarHBondContact O-CG 3.39Å; I789-L793 PolarHBondContact O-N 2.94Å; L793-A795 PolarHBondContact O-N 3.49Å; L793-C796 PolarHBondContact O-N 2.91Å; L793-A797 WeakPolarHBondContact O-CB 3.46Å; L793-A797 PolarHBondContact O-N 3.23Å
794	F	98.7	Very high	98	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	7%	0.072	C	C	.	.	H	α-helix	trans	-61.1	-43.1	176.9	-170.5	-79.7	0	0	0	111.6	F722 Y745 F790 V792 A797 I798 L840 V847 F848 I863	F722-F794 HydrophobicContact CZ-CB 4.44Å; F722-F794 HydrophobicContact CZ-CD2 4.41Å; Y745-F794 HydrophobicContact CD1-CE2 4.02Å; Y745-F794 HydrophobicContact CD1-CZ 4.32Å; Y745-F794 HydrophobicContact CE1-CD2 4.49Å; Y745-F794 HydrophobicContact CE1-CE1 4.36Å; Y745-F794 AromaticContact CE1-CE2 3.42Å; Y745-F794 HydrophobicContact CE1-CE2 3.42Å; Y745-F794 VanDerWaalsContact CE1-CE2 3.42Å; Y745-F794 AromaticContact CE1-CZ 3.34Å; Y745-F794 HydrophobicContact CE1-CZ 3.34Å; Y745-F794 AromaticContact CZ-CZ 3.49Å; Y745-F794 VanDerWaalsContact CZ-CZ 3.49Å; Y745-F794 VanDerWaalsContact OH-CZ 3.3Å; Y745-F794 WeakPolarHBondContact OH-CZ 3.28Å; F790-F794 HydrophobicContact CE1-CD2 4.39Å; F790-F794 HydrophobicContact CZ-CD2 4.2Å; F790-F794 WeakPolarHBondContact O-CB 3.49Å; F790-F794 PolarHBondContact O-N 2.82Å; V792-F794 VanDerWaalsContact C-N 3.33Å; V792-F794 PolarHBondContact O-N 3.4Å; F794-A797 PolarHBondContact O-N 3.09Å; F794-I798 HydrophobicContact CD1-CD1 4.32Å; F794-I798 HydrophobicContact CD1-CG2 4.45Å; F794-I798 HydrophobicContact CE1-CD1 4.1Å; F794-I798 HydrophobicContact CE1-CG2 4.18Å; F794-I798 WeakPolarHBondContact O-CG1 3.35Å; F794-I798 PolarHBondContact O-N 3.46Å; F794-L840 HydrophobicContact CZ-CD2 4.48Å; F794-V847 HydrophobicContact CE2-CG2 4.45Å; F794-F848 HydrophobicContact CD1-CZ 4.22Å; F794-F848 HydrophobicContact CD2-CE2 4.45Å; F794-F848 AromaticContact CD2-CZ 3.93Å; F794-F848 HydrophobicContact CD2-CZ 3.93Å; F794-F848 HydrophobicContact CE1-CE2 4.11Å; F794-F848 HydrophobicContact CE1-CZ 4Å; F794-F848 AromaticContact CE2-CE2 3.76Å; F794-F848 HydrophobicContact CE2-CE2 3.76Å; F794-F848 AromaticContact CE2-CZ 3.7Å; F794-F848 HydrophobicContact CE2-CZ 3.7Å; F794-F848 HydrophobicContact CG-CZ 4.18Å; F794-F848 AromaticContact CZ-CE2 3.55Å; F794-F848 HydrophobicContact CZ-CE2 3.55Å; F794-F848 AromaticContact CZ-CZ 3.73Å; F794-F848 HydrophobicContact CZ-CZ 3.73Å; F794-I863 HydrophobicContact CD1-CD1 3.52Å; F794-I863 HydrophobicContact CD1-CG1 4.13Å; F794-I863 HydrophobicContact CD1-CG2 4.38Å; F794-I863 HydrophobicContact CE1-CD1 3.96Å; F794-I863 HydrophobicContact CG-CD1 4.19Å
795	A	98.9	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-48	175.9	0	0	0	0	0	111.7	T791 V792 L793 A797 I798 H799 I863 M866 V867	T791-A795 WeakPolarHBondContact O-CB 3.46Å; T791-A795 PolarHBondContact O-N 3.2Å; V792-A795 PolarHBondContact O-N 3.41Å; L793-A795 PolarHBondContact O-N 3.49Å; A795-A797 PolarHBondContact O-N 3.38Å; A795-I798 WeakPolarHBondContact O-CG1 3.43Å; A795-I798 PolarHBondContact O-N 3.24Å; A795-I798 VanDerWaalsContact O-N 3.14Å; A795-H799 WeakPolarHBondContact O-CB 3.32Å; A795-H799 PolarHBondContact O-N 3.21Å; A795-I863 HydrophobicContact CB-CG2 4.38Å; A795-M866 HydrophobicContact CB-CB 4.01Å; A795-M866 HydrophobicContact CB-CE 3.97Å; A795-V867 HydrophobicContact CB-CG2 4.01Å
796	C	98.9	Very high	98.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.3	-38.2	173.8	-65.3	0	0	0	0	112.6	V767 V768 T771 V792 L793 I798 H799	V767-C796 HydrophobicContact CG1-CB 3.95Å; V768-C796 HydrophobicContact CB-CB 4.42Å; V768-C796 HydrophobicContact CG2-CB 3.67Å; T771-C796 PolarHBondContact OG1-SG 3.28Å; V792-C796 PolarHBondContact O-N 3.06Å; V792-C796 PolarHBondContact O-SG 3.28Å; L793-C796 PolarHBondContact O-N 2.91Å; C796-I798 PolarHBondContact O-N 2.94Å; C796-H799 PolarHBondContact O-ND1 3.02Å
797	A	98.8	Very high	98.4	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-71.7	-15.6	-178.4	0	0	0	0	0	114.3	L718 F722 M746 Y753 V768 L793 F794 A795	L718-A797 HydrophobicContact CD1-CB 4.13Å; F722-A797 HydrophobicContact CD2-CB 3.58Å; F722-A797 HydrophobicContact CE2-CB 3.76Å; M746-A797 HydrophobicContact CE-CB 3.89Å; Y753-A797 PolarHBondContact OH-O 3.16Å; V768-A797 HydrophobicContact CG2-CB 3.69Å; L793-A797 WeakPolarHBondContact O-CB 3.46Å; L793-A797 PolarHBondContact O-N 3.23Å; F794-A797 PolarHBondContact O-N 3.09Å; A795-A797 PolarHBondContact O-N 3.38Å
798	I	98.8	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-119.5	-4.4	-178.3	68.6	159.6	0	0	0	113.9	V749 F794 A795 C796 D800 V801 L833 A836 I863 V867	V749-I798 HydrophobicContact CG1-CG2 4.19Å; V749-I798 HydrophobicContact CG2-CG2 4.28Å; F794-I798 HydrophobicContact CD1-CD1 4.32Å; F794-I798 HydrophobicContact CD1-CG2 4.45Å; F794-I798 HydrophobicContact CE1-CD1 4.1Å; F794-I798 HydrophobicContact CE1-CG2 4.18Å; F794-I798 WeakPolarHBondContact O-CG1 3.35Å; F794-I798 PolarHBondContact O-N 3.46Å; A795-I798 WeakPolarHBondContact O-CG1 3.43Å; A795-I798 PolarHBondContact O-N 3.24Å; A795-I798 VanDerWaalsContact O-N 3.14Å; C796-I798 PolarHBondContact O-N 2.94Å; I798-D800 PolarHBondContact O-N 3.35Å; I798-V801 HydrophobicContact CB-CG1 4.34Å; I798-V801 WeakPolarHBondContact O-CG1 3.43Å; I798-V801 PolarHBondContact O-N 3.31Å; I798-V801 VanDerWaalsContact O-N 3.09Å; I798-L833 HydrophobicContact CD1-CD2 4.31Å; I798-A836 HydrophobicContact CB-CB 3.75Å; I798-A836 HydrophobicContact CD1-CB 3.39Å; I798-A836 HydrophobicContact CG1-CB 4.16Å; I798-A836 HydrophobicContact CG2-CB 3.85Å; I798-I863 HydrophobicContact CD1-CG2 3.73Å; I798-V867 HydrophobicContact CD1-CG2 4.25Å; I798-V867 HydrophobicContact CG1-CG2 4.14Å
799	H	98.8	Very high	98.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.6	-162	74.8	-72.4	0	0	0	114.7	H763 A795 C796 H832 V867 T870	H763-H799 AromaticContact NE2-NE2 3.72Å; A795-H799 WeakPolarHBondContact O-CB 3.32Å; A795-H799 PolarHBondContact O-N 3.21Å; C796-H799 PolarHBondContact O-ND1 3.02Å; H799-H832 WeakPolarHBondContact O-CB 3.26Å; H799-H832 PolarHBondContact O-CD2 2.93Å; H799-H832 VanDerWaalsContact O-CG 3.23Å; H799-V867 HydrophobicContact CB-CG1 4.31Å; H799-V867 HydrophobicContact CB-CG2 4.3Å; H799-T870 HydrophobicContact CB-CG2 4.35Å
800	D	98.8	Very high	98.4	Very high	13 Å²	13	14.2 Å²	14.2	7%	0.07	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	10.4	-177	-87.3	-7	0	0	0	113.4	Y753 H759 H763 I798 G802 H803 H832	Y753-D800 HydrophobicContact CE1-CB 3.59Å; Y753-D800 WeakPolarHBondContact CE1-O 3.42Å; Y753-D800 PolarHBondContact OH-N 2.73Å; H759-D800 IonicContact CD2-OD2 3.49Å; H759-D800 PolarHBondContact CD2-OD2 3.08Å; H759-D800 VanDerWaalsContact CD2-OD2 3.25Å; H759-D800 IonicContact CG-OD2 2.91Å; H763-D800 IonicContact CD2-OD2 3.68Å; H763-D800 PolarHBondContact CD2-OD2 2.88Å; H763-D800 VanDerWaalsContact CD2-OD2 3.29Å; H763-D800 IonicContact NE2-OD2 2.69Å; I798-D800 PolarHBondContact O-N 3.35Å; D800-G802 PolarHBondContact O-N 2.99Å; D800-H803 VanDerWaalsContact O-CB 3.32Å; D800-H803 WeakPolarHBondContact O-CB 3.49Å; D800-H803 PolarHBondContact O-N 3.04Å; D800-H832 VanDerWaalsContact C-ND1 3.3Å; D800-H832 IonicContact OD1-NE2 3.04Å
801	V	98.6	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	126	-171.6	70.4	0	0	0	0	111.1	V749 K752 Y753 I798 H832 I835 A836	V749-V801 HydrophobicContact CG1-CB 4.49Å; V749-V801 HydrophobicContact CG1-CG2 4.09Å; V749-V801 WeakPolarHBondContact O-CG2 3.4Å; K752-V801 HydrophobicContact CB-CG2 3.54Å; Y753-V801 HydrophobicContact CD2-CB 4.31Å; Y753-V801 HydrophobicContact CD2-CG2 4.03Å; Y753-V801 HydrophobicContact CE2-CB 3.79Å; Y753-V801 HydrophobicContact CE2-CG2 3.96Å; Y753-V801 PolarHBondContact OH-N 3.48Å; I798-V801 HydrophobicContact CB-CG1 4.34Å; I798-V801 WeakPolarHBondContact O-CG1 3.43Å; I798-V801 PolarHBondContact O-N 3.31Å; I798-V801 VanDerWaalsContact O-N 3.09Å; V801-H832 HydrophobicContact CG1-CB 4.37Å; V801-H832 VanDerWaalsContact CG1-O 3.29Å; V801-H832 WeakPolarHBondContact CG1-O 3.3Å; V801-H832 PolarHBondContact O-ND1 3.23Å; V801-I835 HydrophobicContact CG1-CB 4.09Å; V801-I835 HydrophobicContact CG1-CG2 3.94Å; V801-I835 HydrophobicContact CG2-CG2 4.09Å; V801-A836 HydrophobicContact CG1-CB 4.09Å
802	G	98.1	Very high	98.4	Very high	10 Å²	10	16.3 Å²	16.3	10%	0.103	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	11.9	-173.6	0	0	0	0	0	116.1	K752 D800	K752-G802 VanDerWaalsContact O-CA 3.24Å; K752-G802 WeakPolarHBondContact O-CA 3.27Å; K752-G802 PolarHBondContact O-N 2.76Å; D800-G802 PolarHBondContact O-N 2.99Å
803	H	98.6	Very high	98.2	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.046	11%	0.11	C	C	.	.			trans	-53.8	128.1	177.7	-167.4	-93.9	0	0	0	112.4	N754 N756 H759 D800 G805 H832 E938	N754-H803 PolarHBondContact ND2-O 3.45Å; N756-H803 PolarHBondContact ND2-O 3.33Å; H759-H803 HydrophobicContact CB-CB 3.91Å; H759-H803 VanDerWaalsContact CB-ND1 3.33Å; H759-H803 WeakPolarHBondContact CB-ND1 3.31Å; H759-H803 AromaticContact CE1-CE1 3.85Å; H759-H803 AromaticContact CG-CE1 3.63Å; H759-H803 AromaticContact CG-CG 3.99Å; H759-H803 AromaticContact CG-ND1 3.59Å; H759-H803 AromaticContact ND1-CE1 3.24Å; H759-H803 PolarHBondContact ND1-CE1 3.4Å; H759-H803 AromaticContact ND1-ND1 3.57Å; H759-H803 AromaticContact ND1-NE2 3.89Å; D800-H803 VanDerWaalsContact O-CB 3.32Å; D800-H803 WeakPolarHBondContact O-CB 3.49Å; D800-H803 PolarHBondContact O-N 3.04Å; H803-G805 VanDerWaalsContact C-N 3.3Å; H803-G805 PolarHBondContact ND1-N 3.05Å; H803-G805 VanDerWaalsContact ND1-N 3.16Å; H803-G805 PolarHBondContact O-N 3.25Å; H803-H832 AromaticContact CD2-NE2 3.9Å; H803-E938 IonicContact CE1-OE1 3.35Å; H803-E938 PolarHBondContact CE1-OE1 3.11Å; H803-E938 IonicContact ND1-OE1 3.14Å
804	P	98.3	Very high	98.2	Very high	40 Å²	40	22.3 Å²	22.3	26%	0.26	12%	0.123	S	C	.	.			trans	-85.4	6.3	-174.2	33.6	-35.7	0	0	0	114.6	V806 L828	P804-V806 HydrophobicContact CB-CG2 4.15Å; P804-V806 HydrophobicContact CG-CG2 3.72Å; P804-L828 HydrophobicContact CG-CD2 3.78Å
805	G	98.2	Very high	98	Very high	3 Å²	3	28 Å²	28	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	73.5	28	-178.1	0	0	0	0	0	113.8	H803 E938	H803-G805 VanDerWaalsContact C-N 3.3Å; H803-G805 PolarHBondContact ND1-N 3.05Å; H803-G805 VanDerWaalsContact ND1-N 3.16Å; H803-G805 PolarHBondContact O-N 3.25Å; G805-E938 VanDerWaalsContact CA-OE1 3.31Å; G805-E938 WeakPolarHBondContact CA-OE1 3.3Å
806	V	98.3	Very high	98	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-150.5	150.8	178.7	-65.6	0	0	0	0	110.2	P804 Y810 L811 L828 Q942 K945	P804-V806 HydrophobicContact CB-CG2 4.15Å; P804-V806 HydrophobicContact CG-CG2 3.72Å; V806-Y810 HydrophobicContact CB-CD1 3.6Å; V806-Y810 HydrophobicContact CB-CE1 4.15Å; V806-Y810 HydrophobicContact CB-CG 3.87Å; V806-Y810 HydrophobicContact CG1-CD1 3.87Å; V806-Y810 HydrophobicContact CG1-CD2 4.46Å; V806-Y810 HydrophobicContact CG1-CE1 3.95Å; V806-Y810 HydrophobicContact CG1-CG 4.15Å; V806-Y810 HydrophobicContact CG2-CD1 3.53Å; V806-Y810 HydrophobicContact CG2-CE1 3.96Å; V806-Y810 HydrophobicContact CG2-CG 4.29Å; V806-L811 HydrophobicContact CG2-CD2 3.83Å; V806-L811 HydrophobicContact CG2-CG 4.28Å; V806-L828 WeakPolarHBondContact O-CD1 3.27Å; V806-Q942 HydrophobicContact CB-CG 4.3Å; V806-Q942 HydrophobicContact CG1-CB 4.19Å; V806-Q942 HydrophobicContact CG1-CG 3.96Å; V806-K945 HydrophobicContact CG1-CD 3.88Å
807	T	98	Very high	97.9	Very high	55 Å²	55	38.7 Å²	38.7	34%	0.337	21%	0.205	S	C	.	.			trans	-72.5	158.5	-176.9	56.7	0	0	0	0	114.5	Q809 Y810 L811 Q942	T807-Q809 PolarHBondContact O-N 3.17Å; T807-Q809 VanDerWaalsContact O-N 3.17Å; T807-Y810 WeakPolarHBondContact O-CB 3.35Å; T807-Y810 PolarHBondContact O-N 2.91Å; T807-Y810 PolarHBondContact OG1-N 3.32Å; T807-L811 PolarHBondContact O-N 3Å; T807-Q942 PolarHBondContact OG1-NE2 3.42Å; T807-Q942 PolarHBondContact OG1-OE1 2.85Å
808	N	98	Very high	97.9	Very high	29 Å²	29	40.2 Å²	40.2	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-46.6	-43	168.7	-83.4	-34.8	0	0	0	112.6	L811 I812 V827 L828 E829	N808-L811 PolarHBondContact O-N 3Å; N808-I812 WeakPolarHBondContact O-CD1 3.35Å; N808-I812 VanDerWaalsContact O-CG1 3.28Å; N808-I812 WeakPolarHBondContact O-CG1 3.21Å; N808-I812 PolarHBondContact O-N 2.82Å; N808-I812 VanDerWaalsContact O-N 3.13Å; N808-V827 WeakPolarHBondContact OD1-CB 3.49Å; N808-V827 PolarHBondContact OD1-N 2.87Å; N808-L828 WeakPolarHBondContact OD1-CB 3.33Å; N808-L828 VanDerWaalsContact OD1-CG 3.24Å; N808-L828 WeakPolarHBondContact OD1-CG 3.37Å; N808-L828 PolarHBondContact OD1-N 3.47Å; N808-E829 PolarHBondContact ND2-OE1 3.21Å; N808-E829 PolarHBondContact ND2-OE2 2.76Å
809	Q	96.9	Very high	97.9	Very high	101 Å²	101	40.3 Å²	40.3	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-69.1	-34	-178.5	-170.5	62.6	67.6	0	0	113	T807 I812 N813	T807-Q809 PolarHBondContact O-N 3.17Å; T807-Q809 VanDerWaalsContact O-N 3.17Å; Q809-I812 PolarHBondContact O-N 3.27Å; Q809-N813 PolarHBondContact NE2-OD1 3.22Å; Q809-N813 WeakPolarHBondContact O-CB 3.46Å; Q809-N813 PolarHBondContact O-N 3.33Å; Q809-N813 PolarHBondContact O-ND2 3.26Å; Q809-N813 PolarHBondContact O-OD1 2.83Å
810	Y	98	Very high	97.8	Very high	29 Å²	29	45.5 Å²	45.5	11%	0.114	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-45.9	173.6	173.9	-81.9	0	0	0	110.9	V806 T807 I812 N813 T814 Q942 K945 E946 L949	V806-Y810 HydrophobicContact CB-CD1 3.6Å; V806-Y810 HydrophobicContact CB-CE1 4.15Å; V806-Y810 HydrophobicContact CB-CG 3.87Å; V806-Y810 HydrophobicContact CG1-CD1 3.87Å; V806-Y810 HydrophobicContact CG1-CD2 4.46Å; V806-Y810 HydrophobicContact CG1-CE1 3.95Å; V806-Y810 HydrophobicContact CG1-CG 4.15Å; V806-Y810 HydrophobicContact CG2-CD1 3.53Å; V806-Y810 HydrophobicContact CG2-CE1 3.96Å; V806-Y810 HydrophobicContact CG2-CG 4.29Å; T807-Y810 WeakPolarHBondContact O-CB 3.35Å; T807-Y810 PolarHBondContact O-N 2.91Å; T807-Y810 PolarHBondContact OG1-N 3.32Å; Y810-I812 VanDerWaalsContact C-N 3.33Å; Y810-I812 PolarHBondContact O-N 3.4Å; Y810-N813 PolarHBondContact O-N 3.1Å; Y810-T814 HydrophobicContact CD1-CG2 4.33Å; Y810-T814 HydrophobicContact CE1-CG2 3.97Å; Y810-T814 HydrophobicContact CE2-CG2 4.21Å; Y810-T814 WeakPolarHBondContact O-CB 3.46Å; Y810-T814 WeakPolarHBondContact O-CG2 3.47Å; Y810-T814 PolarHBondContact O-N 3.39Å; Y810-T814 PolarHBondContact O-OG1 3.41Å; Y810-Q942 HydrophobicContact CD2-CG 3.69Å; Y810-Q942 HydrophobicContact CE2-CG 4.31Å; Y810-Q942 HydrophobicContact CG-CG 4.17Å; Y810-K945 HydrophobicContact CE2-CB 4.04Å; Y810-E946 HydrophobicContact CD2-CG 3.67Å; Y810-E946 HydrophobicContact CE2-CG 3.8Å; Y810-L949 HydrophobicContact CE2-CD1 4.35Å; Y810-L949 WeakPolarHBondContact OH-CD1 3Å
811	L	98.2	Very high	97.7	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-42.4	178.2	-62.1	177	0	0	0	111.7	V806 T807 N808 T814 N815 D816 L818 A819 V827 L828	V806-L811 HydrophobicContact CG2-CD2 3.83Å; V806-L811 HydrophobicContact CG2-CG 4.28Å; T807-L811 PolarHBondContact O-N 3Å; N808-L811 PolarHBondContact O-N 3Å; L811-T814 PolarHBondContact O-OG1 3.33Å; L811-N815 PolarHBondContact O-N 3.13Å; L811-D816 HydrophobicContact CB-CB 4Å; L811-D816 HydrophobicContact CD2-CB 3.83Å; L811-D816 WeakPolarHBondContact O-CB 3.42Å; L811-D816 PolarHBondContact O-N 2.74Å; L811-L818 HydrophobicContact CD1-CD1 4.39Å; L811-A819 HydrophobicContact CB-CB 4.22Å; L811-V827 HydrophobicContact CD1-CG1 3.87Å; L811-L828 HydrophobicContact CD1-CD2 3.76Å; L811-L828 HydrophobicContact CD1-CG 3.92Å
812	I	97.6	Very high	97.7	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-49.1	176	-64.2	162.8	0	0	0	110.7	N808 Q809 Y810 T814 N815 A819 D824 V827	N808-I812 WeakPolarHBondContact O-CD1 3.35Å; N808-I812 VanDerWaalsContact O-CG1 3.28Å; N808-I812 WeakPolarHBondContact O-CG1 3.21Å; N808-I812 PolarHBondContact O-N 2.82Å; N808-I812 VanDerWaalsContact O-N 3.13Å; Q809-I812 PolarHBondContact O-N 3.27Å; Y810-I812 VanDerWaalsContact C-N 3.33Å; Y810-I812 PolarHBondContact O-N 3.4Å; I812-T814 PolarHBondContact O-N 2.92Å; I812-N815 PolarHBondContact O-N 3.28Å; I812-N815 VanDerWaalsContact O-N 3.12Å; I812-A819 HydrophobicContact CG1-CB 4.07Å; I812-D824 HydrophobicContact CD1-CB 3.89Å; I812-D824 HydrophobicContact CG1-CB 3.96Å; I812-D824 HydrophobicContact CG2-CB 4.48Å; I812-V827 HydrophobicContact CG1-CG2 4.5Å
813	N	96.1	Very high	97.7	Very high	82 Å²	82	58 Å²	58	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-31.7	-178.8	-72.6	-7.7	0	0	0	113	Q809 Y810	Q809-N813 PolarHBondContact NE2-OD1 3.22Å; Q809-N813 WeakPolarHBondContact O-CB 3.46Å; Q809-N813 PolarHBondContact O-N 3.33Å; Q809-N813 PolarHBondContact O-ND2 3.26Å; Q809-N813 PolarHBondContact O-OD1 2.83Å; Y810-N813 PolarHBondContact O-N 3.1Å
814	T	96.8	Very high	97.6	Very high	44 Å²	44	62 Å²	62	27%	0.27	32%	0.323	S	S	.	.	H	α-helix	trans	-88.1	-4.7	179.3	52.5	0	0	0	0	113.7	Y810 L811 I812 D816 L949 I951	Y810-T814 HydrophobicContact CD1-CG2 4.33Å; Y810-T814 HydrophobicContact CE1-CG2 3.97Å; Y810-T814 HydrophobicContact CE2-CG2 4.21Å; Y810-T814 WeakPolarHBondContact O-CB 3.46Å; Y810-T814 WeakPolarHBondContact O-CG2 3.47Å; Y810-T814 PolarHBondContact O-N 3.39Å; Y810-T814 PolarHBondContact O-OG1 3.41Å; L811-T814 PolarHBondContact O-OG1 3.33Å; I812-T814 PolarHBondContact O-N 2.92Å; T814-D816 VanDerWaalsContact C-N 3.26Å; T814-L949 HydrophobicContact CG2-CD1 3.69Å; T814-I951 HydrophobicContact CG2-CD1 4.14Å
815	N	96.3	Very high	97.5	Very high	121 Å²	121	63.7 Å²	63.7	65%	0.647	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	40.5	-172	-53.2	-101.7	0	0	0	112	L811 I812 I820	L811-N815 PolarHBondContact O-N 3.13Å; I812-N815 PolarHBondContact O-N 3.28Å; I812-N815 VanDerWaalsContact O-N 3.12Å; N815-I820 WeakPolarHBondContact O-CD1 3.33Å
816	D	97.8	Very high	97.4	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	34%	0.338	S	S	.	.			trans	-59.9	150.9	179	-174.4	-92.6	0	0	0	111.8	L811 T814 L818 A819 I820	L811-D816 HydrophobicContact CB-CB 4Å; L811-D816 HydrophobicContact CD2-CB 3.83Å; L811-D816 WeakPolarHBondContact O-CB 3.42Å; L811-D816 PolarHBondContact O-N 2.74Å; T814-D816 VanDerWaalsContact C-N 3.26Å; D816-L818 PolarHBondContact O-N 3.41Å; D816-L818 VanDerWaalsContact OD1-CB 3.3Å; D816-L818 WeakPolarHBondContact OD1-CB 3.4Å; D816-L818 WeakPolarHBondContact OD1-CG 3.36Å; D816-L818 PolarHBondContact OD1-N 3.41Å; D816-A819 PolarHBondContact O-N 3.36Å; D816-I820 WeakPolarHBondContact O-CG1 3.19Å; D816-I820 PolarHBondContact O-N 3.29Å
817	Q	97.8	Very high	97.5	Very high	167 Å²	167	63.7 Å²	63.7	78%	0.78	34%	0.335	S	S	*	.	H	α-helix	trans	-59.1	-33	-179.1	-63.2	-172.6	11.4	0	0	112.6	L821	Q817-L821 WeakPolarHBondContact O-CB 3.41Å; Q817-L821 PolarHBondContact O-N 2.97Å
818	L	97.7	Very high	97.5	Very high	32 Å²	32	61.4 Å²	61.4	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-42.9	174.9	-61.8	177.4	0	0	0	111.4	L811 D816 I820 L821 Y822 V827	L811-L818 HydrophobicContact CD1-CD1 4.39Å; D816-L818 PolarHBondContact O-N 3.41Å; D816-L818 VanDerWaalsContact OD1-CB 3.3Å; D816-L818 WeakPolarHBondContact OD1-CB 3.4Å; D816-L818 WeakPolarHBondContact OD1-CG 3.36Å; D816-L818 PolarHBondContact OD1-N 3.41Å; L818-I820 VanDerWaalsContact C-N 3.34Å; L818-I820 PolarHBondContact O-N 3.44Å; L818-L821 PolarHBondContact O-N 2.92Å; L818-Y822 HydrophobicContact CD2-CE2 4.22Å; L818-Y822 VanDerWaalsContact O-CD2 3.28Å; L818-Y822 WeakPolarHBondContact O-CD2 3.46Å; L818-Y822 PolarHBondContact O-N 3.31Å; L818-V827 VanDerWaalsContact C-CG1 3.42Å; L818-V827 HydrophobicContact CB-CG1 3.65Å; L818-V827 WeakPolarHBondContact O-CG1 3.41Å
819	A	98	Very high	97.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-43	178.3	0	0	0	0	0	111.3	L811 I812 D816 N823 D824 V827	L811-A819 HydrophobicContact CB-CB 4.22Å; I812-A819 HydrophobicContact CG1-CB 4.07Å; D816-A819 PolarHBondContact O-N 3.36Å; A819-N823 WeakPolarHBondContact O-CA 3.44Å; A819-N823 PolarHBondContact O-N 2.82Å; A819-D824 PolarHBondContact O-N 3.48Å; A819-V827 HydrophobicContact CB-CG1 4.42Å; A819-V827 HydrophobicContact CB-CG2 4.36Å
820	I	97.6	Very high	97.6	Very high	110 Å²	110	58.4 Å²	58.4	56%	0.564	31%	0.307	S	S	*	.	H	α-helix	trans	-62.5	-44.5	173.6	-62.9	169.9	0	0	0	111.1	N815 D816 L818	N815-I820 WeakPolarHBondContact O-CD1 3.33Å; D816-I820 WeakPolarHBondContact O-CG1 3.19Å; D816-I820 PolarHBondContact O-N 3.29Å; L818-I820 VanDerWaalsContact C-N 3.34Å; L818-I820 PolarHBondContact O-N 3.44Å
821	L	97.6	Very high	97.6	Very high	107 Å²	107	58.8 Å²	58.8	56%	0.56	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-42.5	-178.8	179.1	62.8	0	0	0	112.5	Q817 L818 N823	Q817-L821 WeakPolarHBondContact O-CB 3.41Å; Q817-L821 PolarHBondContact O-N 2.97Å; L818-L821 PolarHBondContact O-N 2.92Å; L821-N823 PolarHBondContact O-ND2 2.95Å
822	Y	98	Very high	97.7	Very high	47 Å²	47	58.7 Å²	58.7	18%	0.184	31%	0.309	C	S	.	.	H	α-helix	trans	-97.7	7.9	-177.7	-61.3	-62.1	0	0	0	114	L818 D824 S825 V827 N830 H831 A834	L818-Y822 HydrophobicContact CD2-CE2 4.22Å; L818-Y822 VanDerWaalsContact O-CD2 3.28Å; L818-Y822 WeakPolarHBondContact O-CD2 3.46Å; L818-Y822 PolarHBondContact O-N 3.31Å; Y822-D824 PolarHBondContact O-N 2.85Å; Y822-S825 PolarHBondContact O-N 2.73Å; Y822-V827 HydrophobicContact CD2-CG1 4.17Å; Y822-V827 VanDerWaalsContact CD2-O 3.26Å; Y822-V827 WeakPolarHBondContact CD2-O 3.33Å; Y822-N830 HydrophobicContact CD1-CB 3.45Å; Y822-N830 VanDerWaalsContact CD1-CB 3.45Å; Y822-N830 HydrophobicContact CD2-CB 4.32Å; Y822-N830 HydrophobicContact CE1-CB 3.62Å; Y822-N830 HydrophobicContact CE2-CB 4.46Å; Y822-N830 HydrophobicContact CG-CB 3.85Å; Y822-H831 HydrophobicContact CE2-CB 3.8Å; Y822-A834 WeakPolarHBondContact OH-CB 3.28Å
823	N	97.6	Very high	97.7	Very high	131 Å²	131	57.3 Å²	57.3	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	50.1	174.4	-52.9	-97.7	0	0	0	112.2	A819 L821 S825	A819-N823 WeakPolarHBondContact O-CA 3.44Å; A819-N823 PolarHBondContact O-N 2.82Å; L821-N823 PolarHBondContact O-ND2 2.95Å; N823-S825 PolarHBondContact O-N 3.11Å
824	D	97.8	Very high	97.8	Very high	95 Å²	95	55.6 Å²	55.6	51%	0.508	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	8.3	177.9	-53.4	-24.2	0	0	0	116.2	I812 A819 Y822	I812-D824 HydrophobicContact CD1-CB 3.89Å; I812-D824 HydrophobicContact CG1-CB 3.96Å; I812-D824 HydrophobicContact CG2-CB 4.48Å; A819-D824 PolarHBondContact O-N 3.48Å; Y822-D824 PolarHBondContact O-N 2.85Å
825	S	95.2	Very high	97.9	Very high	75 Å²	75	54.8 Å²	54.8	52%	0.524	29%	0.294	S	S	.	.	S	Bend	trans	-112.5	104.8	-172.5	178.2	0	0	0	0	112.3	Y822 N823 N830	Y822-S825 PolarHBondContact O-N 2.73Å; N823-S825 PolarHBondContact O-N 3.11Å; S825-N830 PolarHBondContact O-ND2 3.47Å; S825-N830 VanDerWaalsContact O-ND2 3.09Å
826	S	97	Very high	98	Very high	11 Å²	11	49 Å²	49	8%	0.077	26%	0.263	C	S	.	.	S	Bend	trans	51.6	55.6	-178.9	-46.1	0	0	0	0	111.5	E829 N830 D871 K874	S826-E829 WeakPolarHBondContact CA-OE2 3.36Å; S826-E829 VanDerWaalsContact CB-OE2 3.27Å; S826-E829 WeakPolarHBondContact CB-OE2 3.45Å; S826-E829 PolarHBondContact O-N 2.69Å; S826-N830 WeakPolarHBondContact O-CB 3.43Å; S826-N830 PolarHBondContact O-N 2.86Å; S826-N830 PolarHBondContact O-ND2 2.94Å; S826-D871 WeakPolarHBondContact CB-OD2 3.45Å; S826-D871 PolarHBondContact OG-OD2 2.65Å; S826-K874 VanDerWaalsContact OG-CE 3.31Å; S826-K874 WeakPolarHBondContact OG-CE 3.4Å; S826-K874 PolarHBondContact OG-NZ 3.33Å
827	V	98.6	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-48.9	-165.1	173.1	0	0	0	0	110.7	N808 L811 I812 L818 A819 Y822 H831	N808-V827 WeakPolarHBondContact OD1-CB 3.49Å; N808-V827 PolarHBondContact OD1-N 2.87Å; L811-V827 HydrophobicContact CD1-CG1 3.87Å; I812-V827 HydrophobicContact CG1-CG2 4.5Å; L818-V827 VanDerWaalsContact C-CG1 3.42Å; L818-V827 HydrophobicContact CB-CG1 3.65Å; L818-V827 WeakPolarHBondContact O-CG1 3.41Å; A819-V827 HydrophobicContact CB-CG1 4.42Å; A819-V827 HydrophobicContact CB-CG2 4.36Å; Y822-V827 HydrophobicContact CD2-CG1 4.17Å; Y822-V827 VanDerWaalsContact CD2-O 3.26Å; Y822-V827 WeakPolarHBondContact CD2-O 3.33Å; V827-H831 WeakPolarHBondContact O-CB 3.18Å; V827-H831 PolarHBondContact O-N 2.87Å; V827-H831 VanDerWaalsContact O-N 3.17Å
828	L	98.7	Very high	98	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-47.5	178	-72.3	168.1	0	0	0	111.5	P804 V806 N808 L811 N830 H831 H832	P804-L828 HydrophobicContact CG-CD2 3.78Å; V806-L828 WeakPolarHBondContact O-CD1 3.27Å; N808-L828 WeakPolarHBondContact OD1-CB 3.33Å; N808-L828 VanDerWaalsContact OD1-CG 3.24Å; N808-L828 WeakPolarHBondContact OD1-CG 3.37Å; N808-L828 PolarHBondContact OD1-N 3.47Å; L811-L828 HydrophobicContact CD1-CD2 3.76Å; L811-L828 HydrophobicContact CD1-CG 3.92Å; L828-N830 VanDerWaalsContact C-N 3.32Å; L828-N830 PolarHBondContact O-N 3.12Å; L828-H831 CarbonylContact O-C 3.54Å; L828-H831 WeakPolarHBondContact O-CA 3.36Å; L828-H831 VanDerWaalsContact O-CB 3.27Å; L828-H831 WeakPolarHBondContact O-CB 3.44Å; L828-H831 PolarHBondContact O-N 3.2Å; L828-H832 PolarHBondContact O-CD2 2.94Å; L828-H832 PolarHBondContact O-N 3.02Å; L828-H832 PolarHBondContact O-NE2 2.95Å
829	E	98.7	Very high	98	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-34.6	-174.6	-54.7	79.9	-178.1	0	0	111.9	N808 S826 L833 L868 D871	N808-E829 PolarHBondContact ND2-OE1 3.21Å; N808-E829 PolarHBondContact ND2-OE2 2.76Å; S826-E829 WeakPolarHBondContact CA-OE2 3.36Å; S826-E829 VanDerWaalsContact CB-OE2 3.27Å; S826-E829 WeakPolarHBondContact CB-OE2 3.45Å; S826-E829 PolarHBondContact O-N 2.69Å; E829-L833 WeakPolarHBondContact O-CD1 3.24Å; E829-L833 WeakPolarHBondContact O-CG 3.36Å; E829-L833 PolarHBondContact O-N 2.92Å; E829-L868 HydrophobicContact CB-CD2 4.05Å; E829-D871 HydrophobicContact CG-CB 3.9Å; E829-D871 VanDerWaalsContact OE1-CA 3.3Å; E829-D871 WeakPolarHBondContact OE1-CA 3.23Å; E829-D871 WeakPolarHBondContact OE1-CB 3.45Å
830	N	98.6	Very high	97.9	Very high	51 Å²	51	41.9 Å²	41.9	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-68.6	-37	168.2	-77.7	-75.6	0	0	0	112.4	Y822 S825 S826 L828 A834	Y822-N830 HydrophobicContact CD1-CB 3.45Å; Y822-N830 VanDerWaalsContact CD1-CB 3.45Å; Y822-N830 HydrophobicContact CD2-CB 4.32Å; Y822-N830 HydrophobicContact CE1-CB 3.62Å; Y822-N830 HydrophobicContact CE2-CB 4.46Å; Y822-N830 HydrophobicContact CG-CB 3.85Å; S825-N830 PolarHBondContact O-ND2 3.47Å; S825-N830 VanDerWaalsContact O-ND2 3.09Å; S826-N830 WeakPolarHBondContact O-CB 3.43Å; S826-N830 PolarHBondContact O-N 2.86Å; S826-N830 PolarHBondContact O-ND2 2.94Å; L828-N830 VanDerWaalsContact C-N 3.32Å; L828-N830 PolarHBondContact O-N 3.12Å; N830-A834 WeakPolarHBondContact O-CB 3.27Å; N830-A834 PolarHBondContact O-N 3.44Å
831	H	98.5	Very high	97.8	Very high	38 Å²	38	38.7 Å²	38.7	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-44.3	177.5	-172	38.9	0	0	0	112.4	Y822 V827 L828 L833 A834 I835	Y822-H831 HydrophobicContact CE2-CB 3.8Å; V827-H831 WeakPolarHBondContact O-CB 3.18Å; V827-H831 PolarHBondContact O-N 2.87Å; V827-H831 VanDerWaalsContact O-N 3.17Å; L828-H831 CarbonylContact O-C 3.54Å; L828-H831 WeakPolarHBondContact O-CA 3.36Å; L828-H831 VanDerWaalsContact O-CB 3.27Å; L828-H831 WeakPolarHBondContact O-CB 3.44Å; L828-H831 PolarHBondContact O-N 3.2Å; H831-L833 VanDerWaalsContact C-N 3.35Å; H831-L833 PolarHBondContact O-N 3.38Å; H831-A834 WeakPolarHBondContact O-CB 3.37Å; H831-A834 PolarHBondContact O-N 3.31Å; H831-A834 VanDerWaalsContact O-N 3.11Å; H831-I835 VanDerWaalsContact CE1-CD1 3.5Å; H831-I835 WeakPolarHBondContact CE1-CD1 3.25Å; H831-I835 PolarHBondContact O-N 2.88Å
832	H	98.7	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-48.4	175.8	-56.5	-36	0	0	0	110.9	H799 D800 V801 H803 L828 A834 I835 A836 V867	H799-H832 WeakPolarHBondContact O-CB 3.26Å; H799-H832 PolarHBondContact O-CD2 2.93Å; H799-H832 VanDerWaalsContact O-CG 3.23Å; D800-H832 VanDerWaalsContact C-ND1 3.3Å; D800-H832 IonicContact OD1-NE2 3.04Å; V801-H832 HydrophobicContact CG1-CB 4.37Å; V801-H832 VanDerWaalsContact CG1-O 3.29Å; V801-H832 WeakPolarHBondContact CG1-O 3.3Å; V801-H832 PolarHBondContact O-ND1 3.23Å; H803-H832 AromaticContact CD2-NE2 3.9Å; L828-H832 PolarHBondContact O-CD2 2.94Å; L828-H832 PolarHBondContact O-N 3.02Å; L828-H832 PolarHBondContact O-NE2 2.95Å; H832-A834 PolarHBondContact O-N 3.47Å; H832-I835 PolarHBondContact O-N 2.57Å; H832-A836 VanDerWaalsContact O-CB 3.31Å; H832-A836 WeakPolarHBondContact O-CB 3.4Å; H832-A836 PolarHBondContact O-N 3.23Å; H832-V867 HydrophobicContact CB-CG1 4.42Å
833	L	98.8	Very high	97.5	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-44.6	172.8	-74	166.4	0	0	0	112.5	I798 E829 H831 A836 F837 I863 I864 V867 L868	I798-L833 HydrophobicContact CD1-CD2 4.31Å; E829-L833 WeakPolarHBondContact O-CD1 3.24Å; E829-L833 WeakPolarHBondContact O-CG 3.36Å; E829-L833 PolarHBondContact O-N 2.92Å; H831-L833 VanDerWaalsContact C-N 3.35Å; H831-L833 PolarHBondContact O-N 3.38Å; L833-A836 PolarHBondContact O-N 3.19Å; L833-F837 HydrophobicContact CD2-CD2 4.24Å; L833-F837 HydrophobicContact CD2-CE2 3.76Å; L833-F837 WeakPolarHBondContact O-CB 3.27Å; L833-F837 VanDerWaalsContact O-CD2 3.26Å; L833-F837 WeakPolarHBondContact O-CD2 3.12Å; L833-F837 PolarHBondContact O-N 3.48Å; L833-I863 HydrophobicContact CD2-CG2 3.99Å; L833-I864 HydrophobicContact CD1-CB 4.38Å; L833-I864 HydrophobicContact CD1-CG1 4.26Å; L833-I864 HydrophobicContact CD1-CG2 4.22Å; L833-I864 HydrophobicContact CD2-CG1 4Å; L833-V867 HydrophobicContact CD1-CB 4.11Å; L833-V867 HydrophobicContact CD1-CG1 4.26Å; L833-V867 HydrophobicContact CD2-CB 3.82Å; L833-V867 HydrophobicContact CD2-CG1 4.27Å; L833-V867 HydrophobicContact CD2-CG2 3.96Å; L833-V867 HydrophobicContact CG-CB 3.87Å; L833-V867 HydrophobicContact CG-CG1 3.84Å; L833-V867 HydrophobicContact CG-CG2 4.46Å; L833-L868 HydrophobicContact CD1-CD2 3.91Å; L833-L868 HydrophobicContact CD1-CG 3.79Å
834	A	98.4	Very high	97.4	Very high	45 Å²	45	36 Å²	36	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-45.4	-179.3	0	0	0	0	0	112.2	Y822 N830 H831 H832 S838	Y822-A834 WeakPolarHBondContact OH-CB 3.28Å; N830-A834 WeakPolarHBondContact O-CB 3.27Å; N830-A834 PolarHBondContact O-N 3.44Å; H831-A834 WeakPolarHBondContact O-CB 3.37Å; H831-A834 PolarHBondContact O-N 3.31Å; H831-A834 VanDerWaalsContact O-N 3.11Å; H832-A834 PolarHBondContact O-N 3.47Å; A834-S838 WeakPolarHBondContact O-CB 3.22Å; A834-S838 PolarHBondContact O-N 2.72Å; A834-S838 VanDerWaalsContact O-N 3.08Å; A834-S838 PolarHBondContact O-OG 2.88Å
835	I	98.3	Very high	97.4	Very high	28 Å²	28	32.9 Å²	32.9	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-56.9	174.7	-70.5	170.5	0	0	0	109.6	K752 V801 H831 H832 F837 S838 L839	K752-I835 HydrophobicContact CB-CG2 4.22Å; K752-I835 HydrophobicContact CG-CG2 4.25Å; V801-I835 HydrophobicContact CG1-CB 4.09Å; V801-I835 HydrophobicContact CG1-CG2 3.94Å; V801-I835 HydrophobicContact CG2-CG2 4.09Å; H831-I835 VanDerWaalsContact CE1-CD1 3.5Å; H831-I835 WeakPolarHBondContact CE1-CD1 3.25Å; H831-I835 PolarHBondContact O-N 2.88Å; H832-I835 PolarHBondContact O-N 2.57Å; I835-F837 VanDerWaalsContact C-N 3.34Å; I835-F837 PolarHBondContact O-N 3.27Å; I835-S838 WeakPolarHBondContact O-CB 3.43Å; I835-S838 PolarHBondContact O-N 2.62Å; I835-S838 PolarHBondContact O-OG 2.99Å; I835-L839 HydrophobicContact CG2-CD1 4.27Å; I835-L839 PolarHBondContact O-N 3.25Å; I835-L839 VanDerWaalsContact O-N 3.1Å
836	A	98.1	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-43.8	-174.7	0	0	0	0	0	113.4	Y745 I798 V801 H832 L833 L839	Y745-A836 WeakPolarHBondContact CE2-O 3.24Å; Y745-A836 PolarHBondContact OH-O 3.46Å; I798-A836 HydrophobicContact CB-CB 3.75Å; I798-A836 HydrophobicContact CD1-CB 3.39Å; I798-A836 HydrophobicContact CG1-CB 4.16Å; I798-A836 HydrophobicContact CG2-CB 3.85Å; V801-A836 HydrophobicContact CG1-CB 4.09Å; H832-A836 VanDerWaalsContact O-CB 3.31Å; H832-A836 WeakPolarHBondContact O-CB 3.4Å; H832-A836 PolarHBondContact O-N 3.23Å; L833-A836 PolarHBondContact O-N 3.19Å; A836-L839 PolarHBondContact O-N 3.16Å
837	F	98.2	Very high	97.4	Very high	40 Å²	40	30.3 Å²	30.3	18%	0.175	19%	0.189	C	C	.	.	H	α-helix	trans	-75.6	-22	178	-78.6	-71	0	0	0	113.5	L833 I835 L840 R860 I863 I864	L833-F837 HydrophobicContact CD2-CD2 4.24Å; L833-F837 HydrophobicContact CD2-CE2 3.76Å; L833-F837 WeakPolarHBondContact O-CB 3.27Å; L833-F837 VanDerWaalsContact O-CD2 3.26Å; L833-F837 WeakPolarHBondContact O-CD2 3.12Å; L833-F837 PolarHBondContact O-N 3.48Å; I835-F837 VanDerWaalsContact C-N 3.34Å; I835-F837 PolarHBondContact O-N 3.27Å; F837-L840 HydrophobicContact CD1-CD1 3.63Å; F837-L840 HydrophobicContact CE1-CD1 4.11Å; F837-R860 HydrophobicContact CE1-CB 4.18Å; F837-R860 HydrophobicContact CE1-CG 3.97Å; F837-R860 HydrophobicContact CE2-CG 4.48Å; F837-R860 HydrophobicContact CZ-CB 4.2Å; F837-R860 HydrophobicContact CZ-CG 3.85Å; F837-I863 HydrophobicContact CE2-CG2 3.95Å; F837-I863 HydrophobicContact CZ-CB 4.11Å; F837-I863 HydrophobicContact CZ-CD1 4.32Å; F837-I863 HydrophobicContact CZ-CG2 3.85Å; F837-I864 HydrophobicContact CE2-CG1 4.01Å
838	S	97.6	Very high	97.3	Very high	50 Å²	50	30.6 Å²	30.6	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-72.5	-35.5	171.9	77.1	0	0	0	0	112.5	A834 I835 L840 G841	A834-S838 WeakPolarHBondContact O-CB 3.22Å; A834-S838 PolarHBondContact O-N 2.72Å; A834-S838 VanDerWaalsContact O-N 3.08Å; A834-S838 PolarHBondContact O-OG 2.88Å; I835-S838 WeakPolarHBondContact O-CB 3.43Å; I835-S838 PolarHBondContact O-N 2.62Å; I835-S838 PolarHBondContact O-OG 2.99Å; S838-L840 VanDerWaalsContact C-N 3.29Å; S838-L840 PolarHBondContact O-N 3.48Å; S838-G841 PolarHBondContact O-N 2.65Å
839	L	97.8	Very high	97.2	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-34.2	178.4	-68.6	175.1	0	0	0	112.4	Y745 A748 V749 K752 I835 A836 G841 Q842 H845	Y745-L839 HydrophobicContact CD2-CB 4.17Å; Y745-L839 HydrophobicContact CE2-CB 3.69Å; A748-L839 HydrophobicContact CB-CD2 4.31Å; V749-L839 HydrophobicContact CB-CD1 4.42Å; V749-L839 HydrophobicContact CG2-CD1 3.7Å; K752-L839 HydrophobicContact CG-CD1 4.24Å; K752-L839 HydrophobicContact CG-CD2 4.5Å; I835-L839 HydrophobicContact CG2-CD1 4.27Å; I835-L839 PolarHBondContact O-N 3.25Å; I835-L839 VanDerWaalsContact O-N 3.1Å; A836-L839 PolarHBondContact O-N 3.16Å; L839-G841 PolarHBondContact O-N 3.14Å; L839-G841 VanDerWaalsContact O-N 3.11Å; L839-Q842 WeakPolarHBondContact O-CB 3.05Å; L839-Q842 PolarHBondContact O-N 2.97Å; L839-H845 VanDerWaalsContact O-CB 3.29Å; L839-H845 WeakPolarHBondContact O-CB 3.43Å
840	L	96.9	Very high	97	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.058	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	173.6	-65.6	168.1	0	0	0	113.5	Y745 F794 F837 S838 Q842 V847 F848	Y745-L840 HydrophobicContact CD2-CD2 3.65Å; Y745-L840 HydrophobicContact CD2-CG 4.18Å; Y745-L840 HydrophobicContact CE2-CB 4.49Å; Y745-L840 HydrophobicContact CE2-CD2 3.47Å; Y745-L840 VanDerWaalsContact CE2-CD2 3.47Å; Y745-L840 HydrophobicContact CE2-CG 3.59Å; Y745-L840 HydrophobicContact CG-CD2 4.33Å; F794-L840 HydrophobicContact CZ-CD2 4.48Å; F837-L840 HydrophobicContact CD1-CD1 3.63Å; F837-L840 HydrophobicContact CE1-CD1 4.11Å; S838-L840 VanDerWaalsContact C-N 3.29Å; S838-L840 PolarHBondContact O-N 3.48Å; L840-Q842 VanDerWaalsContact C-N 3.32Å; L840-V847 HydrophobicContact CD2-CB 4.32Å; L840-V847 HydrophobicContact CD2-CG2 4.09Å; L840-F848 HydrophobicContact CD1-CD2 3.81Å; L840-F848 HydrophobicContact CD1-CE2 3.72Å; L840-F848 HydrophobicContact CD2-CD2 3.84Å; L840-F848 HydrophobicContact CD2-CE2 3.95Å
841	G	94.1	Very high	96.9	Very high	44 Å²	44	37.5 Å²	37.5	45%	0.454	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.3	175.8	0	0	0	0	0	114.2	S838 L839	S838-G841 PolarHBondContact O-N 2.65Å; L839-G841 PolarHBondContact O-N 3.14Å; L839-G841 VanDerWaalsContact O-N 3.11Å
842	Q	95.3	Very high	96.7	Very high	81 Å²	81	39.3 Å²	39.3	38%	0.379	24%	0.239	S	C	.	.	S	Bend	trans	-77.1	147.7	177.4	-63.8	-177.3	-9.9	0	0	111.2	L839 L840 G844 H845	L839-Q842 WeakPolarHBondContact O-CB 3.05Å; L839-Q842 PolarHBondContact O-N 2.97Å; L840-Q842 VanDerWaalsContact C-N 3.32Å; Q842-G844 PolarHBondContact O-N 2.73Å; Q842-H845 HydrophobicContact CB-CB 3.98Å; Q842-H845 WeakPolarHBondContact O-CB 3.27Å; Q842-H845 PolarHBondContact O-N 3.23Å
843	P	95.6	Very high	96.5	Very high	114 Å²	114	48.9 Å²	48.9	74%	0.74	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	123.7	-177.8	-25.5	35	0	0	0	112.3	H845	P843-H845 VanDerWaalsContact C-N 3.25Å; P843-H845 PolarHBondContact O-N 3.39Å; P843-H845 PolarHBondContact O-ND1 2.6Å
844	G	94.6	Very high	96.2	Very high	34 Å²	34	53.5 Å²	53.5	35%	0.351	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	12.6	-179.8	0	0	0	0	0	115.6	N741 Q842	N741-G844 VanDerWaalsContact CA-O 3.22Å; N741-G844 WeakPolarHBondContact CA-O 3.49Å; N741-G844 WeakPolarHBondContact CB-O 3.27Å; N741-G844 PolarHBondContact OD1-O 3.12Å; Q842-G844 PolarHBondContact O-N 2.73Å
845	H	97.1	Very high	96	Very high	28 Å²	28	54.7 Å²	54.7	13%	0.13	29%	0.292	C	S	.	.			trans	-101	-0.2	176.9	-67	63.4	0	0	0	112.8	Y745 L839 Q842 P843 V847	Y745-H845 WeakPolarHBondContact CB-O 3.48Å; Y745-H845 HydrophobicContact CD2-CB 4.38Å; Y745-H845 WeakPolarHBondContact CD2-O 3.31Å; L839-H845 VanDerWaalsContact O-CB 3.29Å; L839-H845 WeakPolarHBondContact O-CB 3.43Å; Q842-H845 HydrophobicContact CB-CB 3.98Å; Q842-H845 WeakPolarHBondContact O-CB 3.27Å; Q842-H845 PolarHBondContact O-N 3.23Å; P843-H845 VanDerWaalsContact C-N 3.25Å; P843-H845 PolarHBondContact O-N 3.39Å; P843-H845 PolarHBondContact O-ND1 2.6Å; H845-V847 PolarHBondContact O-N 3.03Å; H845-V847 VanDerWaalsContact O-N 3.08Å
846	D	97.3	Very high	95.9	Very high	33 Å²	33	57.5 Å²	57.5	18%	0.176	30%	0.301	C	S	.	.			trans	-78.1	99.2	-179.8	-165.3	-10.2	0	0	0	111.2	N741 F848 E849 R856	N741-D846 PolarHBondContact ND2-O 3.48Å; D846-F848 PolarHBondContact O-N 2.99Å; D846-F848 WeakPolarHBondContact OD1-CA 3.18Å; D846-F848 PolarHBondContact OD1-N 3.4Å; D846-E849 HydrophobicContact CB-CB 4.24Å; D846-E849 WeakPolarHBondContact O-CB 3.38Å; D846-E849 PolarHBondContact O-N 2.85Å; D846-E849 PolarHBondContact OD1-N 2.86Å; D846-R856 VanDerWaalsContact CG-NH2 3.33Å; D846-R856 IonicContact OD1-CZ 3.5Å; D846-R856 IonicContact OD1-NH1 2.96Å; D846-R856 PolarHBondContact OD1-NH1 3.22Å; D846-R856 IonicContact OD1-NH2 3.22Å; D846-R856 PolarHBondContact OD1-NH2 3.49Å; D846-R856 IonicContact OD2-CZ 3.18Å; D846-R856 IonicContact OD2-NH1 2.72Å; D846-R856 PolarHBondContact OD2-NH1 3.34Å; D846-R856 IonicContact OD2-NH2 2.73Å; D846-R856 PolarHBondContact OD2-NH2 2.94Å
847	V	96.7	Very high	95.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.5	176.2	-166.6	0	0	0	0	111.8	I737 L742 Y745 F790 F794 L840 H845	I737-V847 HydrophobicContact CD1-CG1 4.45Å; I737-V847 HydrophobicContact CG2-CG1 3.7Å; L742-V847 HydrophobicContact CB-CG1 4.33Å; L742-V847 HydrophobicContact CD1-CG1 3.76Å; L742-V847 HydrophobicContact CD1-CG2 4.3Å; Y745-V847 VanDerWaalsContact CB-CG2 3.41Å; Y745-V847 HydrophobicContact CD1-CG2 3.59Å; Y745-V847 HydrophobicContact CD2-CG2 4.17Å; Y745-V847 HydrophobicContact CE1-CG2 4.44Å; Y745-V847 HydrophobicContact CG-CG2 3.43Å; Y745-V847 VanDerWaalsContact CG-CG2 3.43Å; F790-V847 HydrophobicContact CZ-CG1 3.84Å; F794-V847 HydrophobicContact CE2-CG2 4.45Å; L840-V847 HydrophobicContact CD2-CB 4.32Å; L840-V847 HydrophobicContact CD2-CG2 4.09Å; H845-V847 PolarHBondContact O-N 3.03Å; H845-V847 VanDerWaalsContact O-N 3.08Å
848	F	96	Very high	95.6	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.022	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	16.9	-177.9	-51.4	-84.9	0	0	0	112.6	F790 F794 L840 D846 N850 F851 R856 I863	F790-F848 HydrophobicContact CD1-CE1 4.28Å; F790-F848 HydrophobicContact CE1-CD1 4.3Å; F790-F848 AromaticContact CE1-CE1 3.68Å; F790-F848 HydrophobicContact CE1-CE1 3.68Å; F790-F848 HydrophobicContact CE1-CZ 4.27Å; F794-F848 HydrophobicContact CD1-CZ 4.22Å; F794-F848 HydrophobicContact CD2-CE2 4.45Å; F794-F848 AromaticContact CD2-CZ 3.93Å; F794-F848 HydrophobicContact CD2-CZ 3.93Å; F794-F848 HydrophobicContact CE1-CE2 4.11Å; F794-F848 HydrophobicContact CE1-CZ 4Å; F794-F848 AromaticContact CE2-CE2 3.76Å; F794-F848 HydrophobicContact CE2-CE2 3.76Å; F794-F848 AromaticContact CE2-CZ 3.7Å; F794-F848 HydrophobicContact CE2-CZ 3.7Å; F794-F848 HydrophobicContact CG-CZ 4.18Å; F794-F848 AromaticContact CZ-CE2 3.55Å; F794-F848 HydrophobicContact CZ-CE2 3.55Å; F794-F848 AromaticContact CZ-CZ 3.73Å; F794-F848 HydrophobicContact CZ-CZ 3.73Å; L840-F848 HydrophobicContact CD1-CD2 3.81Å; L840-F848 HydrophobicContact CD1-CE2 3.72Å; L840-F848 HydrophobicContact CD2-CD2 3.84Å; L840-F848 HydrophobicContact CD2-CE2 3.95Å; D846-F848 PolarHBondContact O-N 2.99Å; D846-F848 WeakPolarHBondContact OD1-CA 3.18Å; D846-F848 PolarHBondContact OD1-N 3.4Å; F848-N850 VanDerWaalsContact C-N 3.33Å; F848-N850 PolarHBondContact O-N 3.4Å; F848-F851 HydrophobicContact CB-CB 4.37Å; F848-F851 HydrophobicContact CB-CD1 4.23Å; F848-F851 HydrophobicContact CB-CG 4.16Å; F848-F851 HydrophobicContact CD1-CD1 4.42Å; F848-F851 AromaticContact CD1-CD2 3.86Å; F848-F851 HydrophobicContact CD1-CD2 3.86Å; F848-F851 HydrophobicContact CD1-CE1 4.25Å; F848-F851 AromaticContact CD1-CE2 3.68Å; F848-F851 HydrophobicContact CD1-CE2 3.68Å; F848-F851 HydrophobicContact CD1-CG 4.24Å; F848-F851 AromaticContact CD1-CZ 3.89Å; F848-F851 HydrophobicContact CD1-CZ 3.89Å; F848-F851 HydrophobicContact CE1-CE2 4.22Å; F848-F851 HydrophobicContact CE1-CZ 4.45Å; F848-F851 WeakPolarHBondContact O-CB 3.43Å; F848-F851 PolarHBondContact O-N 2.75Å; F848-F851 VanDerWaalsContact O-N 3.14Å; F848-R856 HydrophobicContact CB-CG 4.16Å; F848-R856 PolarHBondContact O-NH1 2.81Å; F848-I863 HydrophobicContact CE1-CD1 4.41Å; F848-I863 HydrophobicContact CZ-CD1 3.81Å
849	E	95.1	Very high	95.5	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-46.6	-176.9	-177.1	173.7	-169.1	0	0	112.1	N741 D846 F851	N741-E849 PolarHBondContact ND2-OE2 2.98Å; D846-E849 HydrophobicContact CB-CB 4.24Å; D846-E849 WeakPolarHBondContact O-CB 3.38Å; D846-E849 PolarHBondContact O-N 2.85Å; D846-E849 PolarHBondContact OD1-N 2.86Å; E849-F851 VanDerWaalsContact C-N 3.32Å; E849-F851 PolarHBondContact O-N 3.17Å
850	N	96	Very high	95.5	Very high	89 Å²	89	63.8 Å²	63.8	48%	0.476	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.8	-178.3	-68.8	-35.6	0	0	0	114.3	A736 F848	A736-N850 HydrophobicContact CB-CB 4.41Å; A736-N850 PolarHBondContact O-ND2 3.31Å; F848-N850 VanDerWaalsContact C-N 3.33Å; F848-N850 PolarHBondContact O-N 3.4Å
851	F	95.7	Very high	95.5	Very high	13 Å²	13	66.6 Å²	66.6	6%	0.057	34%	0.335	C	S	.	.	S	Bend	trans	-81.4	127.9	-178.1	-76.7	46.6	0	0	0	110.1	F735 I737 L787 F790 F848 E849 R853 Q855 R856	F735-F851 HydrophobicContact CB-CE1 3.63Å; F735-F851 HydrophobicContact CB-CZ 3.73Å; F735-F851 HydrophobicContact CD1-CE1 4.33Å; F735-F851 HydrophobicContact CD1-CE2 4.08Å; F735-F851 AromaticContact CD1-CZ 3.87Å; F735-F851 HydrophobicContact CD1-CZ 3.87Å; F735-F851 HydrophobicContact CD2-CZ 4.38Å; F735-F851 HydrophobicContact CG-CE1 4.13Å; F735-F851 HydrophobicContact CG-CE2 4.36Å; F735-F851 AromaticContact CG-CZ 3.72Å; F735-F851 HydrophobicContact CG-CZ 3.72Å; I737-F851 HydrophobicContact CD1-CE1 4.3Å; I737-F851 HydrophobicContact CD1-CZ 4.37Å; I737-F851 HydrophobicContact CG1-CE1 3.86Å; I737-F851 HydrophobicContact CG1-CZ 4.43Å; L787-F851 HydrophobicContact CD1-CD2 4.07Å; L787-F851 HydrophobicContact CD1-CE2 3.62Å; F790-F851 HydrophobicContact CD1-CE2 4.34Å; F790-F851 AromaticContact CD1-CZ 3.96Å; F790-F851 HydrophobicContact CD1-CZ 3.96Å; F790-F851 AromaticContact CE1-CZ 3.91Å; F790-F851 HydrophobicContact CE1-CZ 3.91Å; F848-F851 HydrophobicContact CB-CB 4.37Å; F848-F851 HydrophobicContact CB-CD1 4.23Å; F848-F851 HydrophobicContact CB-CG 4.16Å; F848-F851 HydrophobicContact CD1-CD1 4.42Å; F848-F851 AromaticContact CD1-CD2 3.86Å; F848-F851 HydrophobicContact CD1-CD2 3.86Å; F848-F851 HydrophobicContact CD1-CE1 4.25Å; F848-F851 AromaticContact CD1-CE2 3.68Å; F848-F851 HydrophobicContact CD1-CE2 3.68Å; F848-F851 HydrophobicContact CD1-CG 4.24Å; F848-F851 AromaticContact CD1-CZ 3.89Å; F848-F851 HydrophobicContact CD1-CZ 3.89Å; F848-F851 HydrophobicContact CE1-CE2 4.22Å; F848-F851 HydrophobicContact CE1-CZ 4.45Å; F848-F851 WeakPolarHBondContact O-CB 3.43Å; F848-F851 PolarHBondContact O-N 2.75Å; F848-F851 VanDerWaalsContact O-N 3.14Å; E849-F851 VanDerWaalsContact C-N 3.32Å; E849-F851 PolarHBondContact O-N 3.17Å; F851-R853 PolarHBondContact O-N 3Å; F851-Q855 HydrophobicContact CB-CB 4.45Å; F851-Q855 HydrophobicContact CD2-CB 4.18Å; F851-R856 HydrophobicContact CB-CB 4.18Å
852	P	95.6	Very high	95.7	Very high	77 Å²	77	64.6 Å²	64.6	50%	0.5	31%	0.314	S	S	.	.			trans	-51.5	141.3	169.6	-26.4	34.1	0	0	0	111.3	K854 Q855 R856	P852-K854 CarbonylContact O-C 3.6Å; P852-K854 PolarHBondContact O-N 2.81Å; P852-Q855 WeakPolarHBondContact O-CA 3.32Å; P852-Q855 WeakPolarHBondContact O-CB 3.29Å; P852-Q855 PolarHBondContact O-N 3.06Å; P852-R856 PolarHBondContact O-N 2.69Å
853	R	94	Very high	95.8	Very high	203 Å²	203	60.8 Å²	60.8	77%	0.766	30%	0.296	S	S	*	.	H	α-helix	trans	-46	-39	-175.2	-174	177.5	-176.7	-92.6	1.9	113.7	F851 L857	F851-R853 PolarHBondContact O-N 3Å; R853-L857 HydrophobicContact CG-CD1 4.1Å; R853-L857 WeakPolarHBondContact O-CB 3.46Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.43Å; R853-L857 PolarHBondContact O-N 2.86Å
854	K	92.2	Very high	96	Very high	107 Å²	107	57.5 Å²	57.5	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-44.6	176.7	-164.5	-179.5	-171.4	-168	0	112.8	L485 P852 S858	L485-K854 HydrophobicContact CD1-CD 4.46Å; L485-K854 HydrophobicContact CD1-CG 4.3Å; L485-K854 HydrophobicContact CD2-CD 4.36Å; L485-K854 VanDerWaalsContact CG-CE 3.47Å; P852-K854 CarbonylContact O-C 3.6Å; P852-K854 PolarHBondContact O-N 2.81Å; K854-S858 WeakPolarHBondContact O-CB 3.3Å; K854-S858 PolarHBondContact O-N 3.07Å
855	Q	94.9	Very high	96.1	Very high	71 Å²	71	57.8 Å²	57.8	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-67.3	-41.1	175.6	-71.3	-173.3	-10	0	0	111.7	L787 F851 P852 S858 S859	L787-Q855 HydrophobicContact CD1-CB 4.36Å; L787-Q855 HydrophobicContact CD2-CB 4.27Å; L787-Q855 HydrophobicContact CD2-CG 4.24Å; F851-Q855 HydrophobicContact CB-CB 4.45Å; F851-Q855 HydrophobicContact CD2-CB 4.18Å; P852-Q855 WeakPolarHBondContact O-CA 3.32Å; P852-Q855 WeakPolarHBondContact O-CB 3.29Å; P852-Q855 PolarHBondContact O-N 3.06Å; Q855-S858 PolarHBondContact O-N 2.71Å; Q855-S859 WeakPolarHBondContact O-CB 3.24Å; Q855-S859 PolarHBondContact O-N 2.96Å; Q855-S859 PolarHBondContact O-OG 2.88Å
856	R	95.8	Very high	96.2	Very high	86 Å²	86	56.4 Å²	56.4	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-44.2	176.9	-170.2	-178	-177.6	111.2	-3	112.3	D846 F848 F851 P852 S859 R860	D846-R856 VanDerWaalsContact CG-NH2 3.33Å; D846-R856 IonicContact OD1-CZ 3.5Å; D846-R856 IonicContact OD1-NH1 2.96Å; D846-R856 PolarHBondContact OD1-NH1 3.22Å; D846-R856 IonicContact OD1-NH2 3.22Å; D846-R856 PolarHBondContact OD1-NH2 3.49Å; D846-R856 IonicContact OD2-CZ 3.18Å; D846-R856 IonicContact OD2-NH1 2.72Å; D846-R856 PolarHBondContact OD2-NH1 3.34Å; D846-R856 IonicContact OD2-NH2 2.73Å; D846-R856 PolarHBondContact OD2-NH2 2.94Å; F848-R856 HydrophobicContact CB-CG 4.16Å; F848-R856 PolarHBondContact O-NH1 2.81Å; F851-R856 HydrophobicContact CB-CB 4.18Å; P852-R856 PolarHBondContact O-N 2.69Å; R856-S859 PolarHBondContact O-N 2.86Å; R856-R860 WeakPolarHBondContact O-CB 3.43Å; R856-R860 PolarHBondContact O-N 3.28Å
857	L	94.6	Very high	96.3	Very high	92 Å²	92	54.9 Å²	54.9	48%	0.482	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.6	-71.4	171.9	0	0	0	112.2	R853 R860 R861	R853-L857 HydrophobicContact CG-CD1 4.1Å; R853-L857 WeakPolarHBondContact O-CB 3.46Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.43Å; R853-L857 PolarHBondContact O-N 2.86Å; L857-R860 PolarHBondContact O-N 2.64Å; L857-R861 PolarHBondContact O-N 2.9Å
858	S	94.4	Very high	96.3	Very high	19 Å²	19	56.9 Å²	56.9	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-47.4	174.8	179.2	0	0	0	0	111.5	K854 Q855 R860 R861 M862	K854-S858 WeakPolarHBondContact O-CB 3.3Å; K854-S858 PolarHBondContact O-N 3.07Å; Q855-S858 PolarHBondContact O-N 2.71Å; S858-R860 PolarHBondContact O-N 2.96Å; S858-R861 WeakPolarHBondContact O-CB 3.11Å; S858-R861 PolarHBondContact O-N 3.13Å; S858-R861 VanDerWaalsContact O-N 3.15Å; S858-M862 WeakPolarHBondContact O-CG 3.42Å; S858-M862 PolarHBondContact O-N 3.28Å
859	S	97	Very high	96.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-50	175.6	-58.8	0	0	0	0	111.6	L787 Q855 R856 R861 M862 I863	L787-S859 WeakPolarHBondContact CD1-OG 3.37Å; Q855-S859 WeakPolarHBondContact O-CB 3.24Å; Q855-S859 PolarHBondContact O-N 2.96Å; Q855-S859 PolarHBondContact O-OG 2.88Å; R856-S859 PolarHBondContact O-N 2.86Å; S859-R861 VanDerWaalsContact C-N 3.33Å; S859-R861 PolarHBondContact O-N 3.49Å; S859-M862 PolarHBondContact O-N 2.85Å; S859-I863 WeakPolarHBondContact O-CB 3.44Å; S859-I863 WeakPolarHBondContact O-CD1 3.32Å; S859-I863 VanDerWaalsContact O-CG1 3.24Å; S859-I863 WeakPolarHBondContact O-CG1 3.14Å; S859-I863 PolarHBondContact O-N 2.93Å
860	R	97.6	Very high	96.6	Very high	116 Å²	116	51.7 Å²	51.7	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-58	-44	176.8	176.4	171.8	177	78.8	-1.4	112.1	F837 R856 L857 S858 I864	F837-R860 HydrophobicContact CE1-CB 4.18Å; F837-R860 HydrophobicContact CE1-CG 3.97Å; F837-R860 HydrophobicContact CE2-CG 4.48Å; F837-R860 HydrophobicContact CZ-CB 4.2Å; F837-R860 HydrophobicContact CZ-CG 3.85Å; R856-R860 WeakPolarHBondContact O-CB 3.43Å; R856-R860 PolarHBondContact O-N 3.28Å; L857-R860 PolarHBondContact O-N 2.64Å; S858-R860 PolarHBondContact O-N 2.96Å; R860-I864 HydrophobicContact CG-CD1 3.72Å; R860-I864 WeakPolarHBondContact O-CB 3.31Å; R860-I864 WeakPolarHBondContact O-CD1 3.38Å; R860-I864 VanDerWaalsContact O-CG1 3.24Å; R860-I864 WeakPolarHBondContact O-CG1 3.29Å; R860-I864 PolarHBondContact O-N 3.36Å
861	R	96.2	Very high	96.7	Very high	69 Å²	69	48 Å²	48	26%	0.26	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-49.3	177.6	-179.6	179.2	175.4	174.1	-3.9	111.3	L857 S858 S859 I864 D865	L857-R861 PolarHBondContact O-N 2.9Å; S858-R861 WeakPolarHBondContact O-CB 3.11Å; S858-R861 PolarHBondContact O-N 3.13Å; S858-R861 VanDerWaalsContact O-N 3.15Å; S859-R861 VanDerWaalsContact C-N 3.33Å; S859-R861 PolarHBondContact O-N 3.49Å; R861-I864 PolarHBondContact O-N 2.84Å; R861-D865 IonicContact NE-OD2 3.89Å; R861-D865 WeakPolarHBondContact O-CB 3.45Å; R861-D865 PolarHBondContact O-N 3.39Å
862	M	98	Very high	96.6	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-45.3	-179.6	-66	-169.5	-63.4	0	0	111.8	L787 E788 T791 S858 S859 I864 D865 M866 Y902 M906	L787-M862 HydrophobicContact CD2-CE 4.06Å; L787-M862 HydrophobicContact CG-CE 4.03Å; E788-M862 HydrophobicContact CG-CE 4.13Å; E788-M862 HydrophobicContact CG-SD 3.61Å; T791-M862 HydrophobicContact CG2-CE 3.95Å; T791-M862 WeakPolarHBondContact OG1-CE 3.21Å; S858-M862 WeakPolarHBondContact O-CG 3.42Å; S858-M862 PolarHBondContact O-N 3.28Å; S859-M862 PolarHBondContact O-N 2.85Å; M862-I864 PolarHBondContact O-N 2.93Å; M862-D865 PolarHBondContact O-N 2.81Å; M862-M866 HydrophobicContact CB-CE 4.05Å; M862-M866 WeakPolarHBondContact O-CB 3.35Å; M862-M866 VanDerWaalsContact O-CE 3.27Å; M862-M866 WeakPolarHBondContact O-CE 3.48Å; M862-M866 WeakPolarHBondContact O-CG 3.31Å; M862-M866 PolarHBondContact O-N 2.81Å; M862-Y902 HydrophobicContact CG-CE2 3.88Å; M862-Y902 HydrophobicContact SD-CE2 4.1Å; M862-M906 HydrophobicContact CB-CE 3.64Å; M862-M906 HydrophobicContact CG-CE 3.51Å; M862-M906 HydrophobicContact SD-CE 4.24Å
863	I	98.6	Very high	96.5	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-44.4	177.5	-67.7	160.4	0	0	0	111.3	T791 F794 A795 I798 L833 F837 F848 S859 M866 V867	T791-I863 HydrophobicContact CG2-CD1 4.28Å; T791-I863 HydrophobicContact CG2-CG1 4.36Å; F794-I863 HydrophobicContact CD1-CD1 3.52Å; F794-I863 HydrophobicContact CD1-CG1 4.13Å; F794-I863 HydrophobicContact CD1-CG2 4.38Å; F794-I863 HydrophobicContact CE1-CD1 3.96Å; F794-I863 HydrophobicContact CG-CD1 4.19Å; A795-I863 HydrophobicContact CB-CG2 4.38Å; I798-I863 HydrophobicContact CD1-CG2 3.73Å; L833-I863 HydrophobicContact CD2-CG2 3.99Å; F837-I863 HydrophobicContact CE2-CG2 3.95Å; F837-I863 HydrophobicContact CZ-CB 4.11Å; F837-I863 HydrophobicContact CZ-CD1 4.32Å; F837-I863 HydrophobicContact CZ-CG2 3.85Å; F848-I863 HydrophobicContact CE1-CD1 4.41Å; F848-I863 HydrophobicContact CZ-CD1 3.81Å; S859-I863 WeakPolarHBondContact O-CB 3.44Å; S859-I863 WeakPolarHBondContact O-CD1 3.32Å; S859-I863 VanDerWaalsContact O-CG1 3.24Å; S859-I863 WeakPolarHBondContact O-CG1 3.14Å; S859-I863 PolarHBondContact O-N 2.93Å; I863-M866 PolarHBondContact O-N 3.07Å; I863-V867 HydrophobicContact CG2-CG2 4.41Å; I863-V867 WeakPolarHBondContact O-CG2 3.05Å; I863-V867 PolarHBondContact O-N 2.85Å
864	I	98.4	Very high	96.5	Very high	45 Å²	45	45 Å²	45	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-47.2	176.2	-68.7	166.1	0	0	0	111.1	L833 F837 R860 R861 M862 M866 L868	L833-I864 HydrophobicContact CD1-CB 4.38Å; L833-I864 HydrophobicContact CD1-CG1 4.26Å; L833-I864 HydrophobicContact CD1-CG2 4.22Å; L833-I864 HydrophobicContact CD2-CG1 4Å; F837-I864 HydrophobicContact CE2-CG1 4.01Å; R860-I864 HydrophobicContact CG-CD1 3.72Å; R860-I864 WeakPolarHBondContact O-CB 3.31Å; R860-I864 WeakPolarHBondContact O-CD1 3.38Å; R860-I864 VanDerWaalsContact O-CG1 3.24Å; R860-I864 WeakPolarHBondContact O-CG1 3.29Å; R860-I864 PolarHBondContact O-N 3.36Å; R861-I864 PolarHBondContact O-N 2.84Å; M862-I864 PolarHBondContact O-N 2.93Å; I864-M866 PolarHBondContact O-N 3.34Å; I864-L868 HydrophobicContact CG2-CD1 3.73Å; I864-L868 HydrophobicContact CG2-CG 4.28Å; I864-L868 VanDerWaalsContact O-CB 3.3Å; I864-L868 WeakPolarHBondContact O-CB 3.33Å; I864-L868 VanDerWaalsContact O-CG 3.32Å; I864-L868 WeakPolarHBondContact O-CG 3.35Å; I864-L868 PolarHBondContact O-N 3.38Å; I864-L868 VanDerWaalsContact O-N 3.07Å
865	D	97.2	Very high	96.6	Very high	40 Å²	40	40 Å²	40	21%	0.214	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-33.7	178.9	-74.7	-25.5	0	0	0	111	R861 M862 Y902 M906 Q910	R861-D865 IonicContact NE-OD2 3.89Å; R861-D865 WeakPolarHBondContact O-CB 3.45Å; R861-D865 PolarHBondContact O-N 3.39Å; M862-D865 PolarHBondContact O-N 2.81Å; D865-Y902 PolarHBondContact OD2-OH 3.06Å; D865-Y902 VanDerWaalsContact OD2-OH 3.12Å; D865-M906 HydrophobicContact CB-CE 4.42Å; D865-M906 HydrophobicContact CB-CG 4.24Å; D865-M906 HydrophobicContact CB-SD 3.78Å; D865-Q910 PolarHBondContact O-NE2 2.92Å
866	M	98.6	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-80.9	-49.5	179	-71.9	-177.8	-69.9	0	0	114.5	T791 V792 A795 M862 I863 I864 L868 A869 M906 L909 Q910 V913	T791-M866 WeakPolarHBondContact O-CE 3.49Å; V792-M866 HydrophobicContact CB-CE 4.17Å; V792-M866 HydrophobicContact CB-SD 3.76Å; V792-M866 HydrophobicContact CG2-SD 3.64Å; A795-M866 HydrophobicContact CB-CB 4.01Å; A795-M866 HydrophobicContact CB-CE 3.97Å; M862-M866 HydrophobicContact CB-CE 4.05Å; M862-M866 WeakPolarHBondContact O-CB 3.35Å; M862-M866 VanDerWaalsContact O-CE 3.27Å; M862-M866 WeakPolarHBondContact O-CE 3.48Å; M862-M866 WeakPolarHBondContact O-CG 3.31Å; M862-M866 PolarHBondContact O-N 2.81Å; I863-M866 PolarHBondContact O-N 3.07Å; I864-M866 PolarHBondContact O-N 3.34Å; M866-L868 VanDerWaalsContact C-N 3.33Å; M866-L868 PolarHBondContact O-N 2.91Å; M866-A869 WeakPolarHBondContact O-CA 3.48Å; M866-A869 VanDerWaalsContact O-CB 3.25Å; M866-A869 WeakPolarHBondContact O-CB 3.34Å; M866-A869 PolarHBondContact O-N 3.02Å; M866-M906 HydrophobicContact CG-SD 3.87Å; M866-L909 HydrophobicContact CG-CB 4.36Å; M866-L909 HydrophobicContact SD-CB 3.72Å; M866-L909 HydrophobicContact SD-CD1 4.44Å; M866-Q910 HydrophobicContact CG-CG 4.31Å; M866-V913 HydrophobicContact CB-CG2 4.43Å; M866-V913 HydrophobicContact SD-CG2 4.27Å
867	V	98.8	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-36.2	180	177.6	0	0	0	0	110.9	A795 I798 H799 H832 L833 I863 A869 T870	A795-V867 HydrophobicContact CB-CG2 4.01Å; I798-V867 HydrophobicContact CD1-CG2 4.25Å; I798-V867 HydrophobicContact CG1-CG2 4.14Å; H799-V867 HydrophobicContact CB-CG1 4.31Å; H799-V867 HydrophobicContact CB-CG2 4.3Å; H832-V867 HydrophobicContact CB-CG1 4.42Å; L833-V867 HydrophobicContact CD1-CB 4.11Å; L833-V867 HydrophobicContact CD1-CG1 4.26Å; L833-V867 HydrophobicContact CD2-CB 3.82Å; L833-V867 HydrophobicContact CD2-CG1 4.27Å; L833-V867 HydrophobicContact CD2-CG2 3.96Å; L833-V867 HydrophobicContact CG-CB 3.87Å; L833-V867 HydrophobicContact CG-CG1 3.84Å; L833-V867 HydrophobicContact CG-CG2 4.46Å; I863-V867 HydrophobicContact CG2-CG2 4.41Å; I863-V867 WeakPolarHBondContact O-CG2 3.05Å; I863-V867 PolarHBondContact O-N 2.85Å; V867-A869 PolarHBondContact O-N 3.45Å; V867-A869 VanDerWaalsContact O-N 3.09Å; V867-T870 PolarHBondContact O-N 3.47Å; V867-T870 PolarHBondContact O-OG1 3.45Å
868	L	98.4	Very high	96.3	Very high	43 Å²	43	37.1 Å²	37.1	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-12	171.9	-68.2	-179.8	0	0	0	113.1	E829 L833 I864 M866 K874	E829-L868 HydrophobicContact CB-CD2 4.05Å; L833-L868 HydrophobicContact CD1-CD2 3.91Å; L833-L868 HydrophobicContact CD1-CG 3.79Å; I864-L868 HydrophobicContact CG2-CD1 3.73Å; I864-L868 HydrophobicContact CG2-CG 4.28Å; I864-L868 VanDerWaalsContact O-CB 3.3Å; I864-L868 WeakPolarHBondContact O-CB 3.33Å; I864-L868 VanDerWaalsContact O-CG 3.32Å; I864-L868 WeakPolarHBondContact O-CG 3.35Å; I864-L868 PolarHBondContact O-N 3.38Å; I864-L868 VanDerWaalsContact O-N 3.07Å; M866-L868 VanDerWaalsContact C-N 3.33Å; M866-L868 PolarHBondContact O-N 2.91Å; L868-K874 VanDerWaalsContact O-CD 3.24Å; L868-K874 WeakPolarHBondContact O-CD 3.45Å; L868-K874 WeakPolarHBondContact O-CE 3.29Å; L868-K874 PolarHBondContact O-NZ 3.07Å
869	A	97.8	Very high	96.3	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	19%	0.188	C	C	.	.	H	α-helix	trans	-85.8	-18.4	177.7	0	0	0	0	0	113.7	M866 V867 D871 L878 Q910	M866-A869 WeakPolarHBondContact O-CA 3.48Å; M866-A869 VanDerWaalsContact O-CB 3.25Å; M866-A869 WeakPolarHBondContact O-CB 3.34Å; M866-A869 PolarHBondContact O-N 3.02Å; V867-A869 PolarHBondContact O-N 3.45Å; V867-A869 VanDerWaalsContact O-N 3.09Å; A869-D871 PolarHBondContact O-N 2.65Å; A869-L878 HydrophobicContact CB-CD1 4.06Å; A869-L878 HydrophobicContact CB-CD2 4.25Å; A869-L878 WeakPolarHBondContact O-CD1 3.44Å; A869-Q910 HydrophobicContact CB-CB 3.87Å; A869-Q910 HydrophobicContact CB-CG 3.83Å
870	T	98.4	Very high	96	Very high	8 Å²	8	39 Å²	39	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-69.5	-23.4	178.5	60.7	0	0	0	0	112.7	H799 V867 M872 V913	H799-T870 HydrophobicContact CB-CG2 4.35Å; V867-T870 PolarHBondContact O-N 3.47Å; V867-T870 PolarHBondContact O-OG1 3.45Å; T870-M872 PolarHBondContact O-N 3.48Å; T870-V913 HydrophobicContact CG2-CG1 3.76Å
871	D	98.1	Very high	95.6	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	20%	0.202	C	C	.	.			trans	-46.7	108.9	172.1	178.5	-15.7	0	0	0	111.4	S826 E829 A869 S873 K874	S826-D871 WeakPolarHBondContact CB-OD2 3.45Å; S826-D871 PolarHBondContact OG-OD2 2.65Å; E829-D871 HydrophobicContact CG-CB 3.9Å; E829-D871 VanDerWaalsContact OE1-CA 3.3Å; E829-D871 WeakPolarHBondContact OE1-CA 3.23Å; E829-D871 WeakPolarHBondContact OE1-CB 3.45Å; A869-D871 PolarHBondContact O-N 2.65Å; D871-S873 PolarHBondContact O-N 2.69Å; D871-S873 WeakPolarHBondContact OD1-CB 3.5Å; D871-S873 PolarHBondContact OD1-N 3.34Å; D871-S873 PolarHBondContact OD1-OG 2.72Å; D871-S873 PolarHBondContact OD2-OG 3.39Å; D871-K874 HydrophobicContact CB-CD 4Å; D871-K874 HydrophobicContact CB-CG 4.35Å; D871-K874 WeakPolarHBondContact O-CB 3.43Å; D871-K874 PolarHBondContact O-N 2.92Å; D871-K874 WeakPolarHBondContact OD2-CE 3.43Å; D871-K874 IonicContact OD2-NZ 2.64Å; D871-K874 PolarHBondContact OD2-NZ 2.99Å
872	M	95	Very high	95.4	Very high	82 Å²	82	33.1 Å²	33.1	40%	0.404	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-60.4	-19	-174	-75.7	-62.4	-71.1	0	0	114.1	T870 K874 H875 H914 L918 I975	T870-M872 PolarHBondContact O-N 3.48Å; M872-K874 PolarHBondContact O-N 2.79Å; M872-H875 WeakPolarHBondContact O-CB 3.38Å; M872-H875 PolarHBondContact O-N 3.25Å; M872-H914 VanDerWaalsContact SD-CE1 3.54Å; M872-L918 HydrophobicContact CE-CD1 4.08Å; M872-L918 HydrophobicContact CE-CD2 4Å; M872-L918 HydrophobicContact SD-CD1 3.92Å; M872-L918 HydrophobicContact SD-CD2 3.91Å; M872-L918 HydrophobicContact SD-CG 4.33Å; M872-I975 HydrophobicContact CE-CG2 3.78Å
873	S	93.4	Very high	95.1	Very high	93 Å²	93	36.2 Å²	36.2	65%	0.65	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64	-21.9	171.1	74.9	0	0	0	0	113	D871	D871-S873 PolarHBondContact O-N 2.69Å; D871-S873 WeakPolarHBondContact OD1-CB 3.5Å; D871-S873 PolarHBondContact OD1-N 3.34Å; D871-S873 PolarHBondContact OD1-OG 2.72Å; D871-S873 PolarHBondContact OD2-OG 3.39Å
874	K	92.8	Very high	94.6	Very high	55 Å²	55	40.2 Å²	40.2	24%	0.239	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-95.5	-6.9	-178.7	-58.3	172	-164.1	156.7	0	113.7	S826 L868 D871 M872 M876 S877 L878	S826-K874 VanDerWaalsContact OG-CE 3.31Å; S826-K874 WeakPolarHBondContact OG-CE 3.4Å; S826-K874 PolarHBondContact OG-NZ 3.33Å; L868-K874 VanDerWaalsContact O-CD 3.24Å; L868-K874 WeakPolarHBondContact O-CD 3.45Å; L868-K874 WeakPolarHBondContact O-CE 3.29Å; L868-K874 PolarHBondContact O-NZ 3.07Å; D871-K874 HydrophobicContact CB-CD 4Å; D871-K874 HydrophobicContact CB-CG 4.35Å; D871-K874 WeakPolarHBondContact O-CB 3.43Å; D871-K874 PolarHBondContact O-N 2.92Å; D871-K874 WeakPolarHBondContact OD2-CE 3.43Å; D871-K874 IonicContact OD2-NZ 2.64Å; D871-K874 PolarHBondContact OD2-NZ 2.99Å; M872-K874 PolarHBondContact O-N 2.79Å; K874-M876 PolarHBondContact O-N 3.43Å; K874-M876 VanDerWaalsContact O-N 3.13Å; K874-S877 PolarHBondContact O-N 2.99Å; K874-S877 PolarHBondContact O-OG 2.62Å; K874-L878 PolarHBondContact O-N 3.36Å; K874-L878 VanDerWaalsContact O-N 3.1Å
875	H	95.5	Very high	94	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-47.7	-45.1	179.3	173.6	107.2	0	0	0	112.3	M872 S877 L878 L879 H914 I975	M872-H875 WeakPolarHBondContact O-CB 3.38Å; M872-H875 PolarHBondContact O-N 3.25Å; H875-S877 VanDerWaalsContact C-N 3.33Å; H875-S877 PolarHBondContact O-N 2.87Å; H875-L878 PolarHBondContact O-N 2.78Å; H875-L879 VanDerWaalsContact O-CB 3.3Å; H875-L879 WeakPolarHBondContact O-CB 3.34Å; H875-L879 PolarHBondContact O-N 2.85Å; H875-H914 AromaticContact CG-NE2 3.65Å; H875-H914 AromaticContact ND1-CD2 3.84Å; H875-H914 AromaticContact ND1-NE2 3.21Å; H875-H914 PolarHBondContact ND1-NE2 2.9Å; H875-I975 VanDerWaalsContact CE1-CG2 3.48Å; H875-I975 WeakPolarHBondContact CE1-CG2 3.46Å; H875-I975 PolarHBondContact CE1-O 2.87Å
876	M	92.9	Very high	93.5	Very high	114 Å²	114	37 Å²	37	56%	0.562	21%	0.211	S	C	*	.	H	α-helix	trans	-70.2	-26.7	-176.2	-67.4	-65.3	157.2	0	0	113.8	K874 A880 I975	K874-M876 PolarHBondContact O-N 3.43Å; K874-M876 VanDerWaalsContact O-N 3.13Å; M876-A880 WeakPolarHBondContact O-CB 3.35Å; M876-A880 PolarHBondContact O-N 3.35Å; M876-I975 HydrophobicContact CE-CD1 3.9Å
877	S	91.9	Very high	92.8	Very high	63 Å²	63	40 Å²	40	44%	0.441	23%	0.225	S	C	.	.	H	α-helix	trans	-73	-48.9	170	18.8	0	0	0	0	111.4	K874 H875 L879 A880 D881	K874-S877 PolarHBondContact O-N 2.99Å; K874-S877 PolarHBondContact O-OG 2.62Å; H875-S877 VanDerWaalsContact C-N 3.33Å; H875-S877 PolarHBondContact O-N 2.87Å; S877-L879 VanDerWaalsContact C-N 3.31Å; S877-L879 PolarHBondContact O-N 3.4Å; S877-A880 WeakPolarHBondContact O-CB 3.48Å; S877-A880 PolarHBondContact O-N 3.42Å; S877-D881 PolarHBondContact O-N 3.14Å
878	L	93.9	Very high	91.9	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-44.9	179	-67.1	170.6	0	0	0	111.6	A869 K874 H875 A880 D881 L882 Q910 N911 H914	A869-L878 HydrophobicContact CB-CD1 4.06Å; A869-L878 HydrophobicContact CB-CD2 4.25Å; A869-L878 WeakPolarHBondContact O-CD1 3.44Å; K874-L878 PolarHBondContact O-N 3.36Å; K874-L878 VanDerWaalsContact O-N 3.1Å; H875-L878 PolarHBondContact O-N 2.78Å; L878-A880 VanDerWaalsContact C-N 3.31Å; L878-A880 PolarHBondContact O-N 3.39Å; L878-D881 PolarHBondContact O-N 3.42Å; L878-L882 WeakPolarHBondContact O-CB 3.34Å; L878-L882 PolarHBondContact O-N 3.04Å; L878-Q910 HydrophobicContact CD2-CB 3.97Å; L878-N911 PolarHBondContact O-ND2 2.97Å; L878-N911 PolarHBondContact O-OD1 2.78Å; L878-H914 HydrophobicContact CD1-CB 4.37Å
879	L	94.1	Very high	90.8	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-31.4	176.8	-176.3	56.8	0	0	0	113.3	H875 S877 K883 P978 L979 T982	H875-L879 VanDerWaalsContact O-CB 3.3Å; H875-L879 WeakPolarHBondContact O-CB 3.34Å; H875-L879 PolarHBondContact O-N 2.85Å; S877-L879 VanDerWaalsContact C-N 3.31Å; S877-L879 PolarHBondContact O-N 3.4Å; L879-K883 HydrophobicContact CD1-CD 4.29Å; L879-K883 HydrophobicContact CD1-CG 4.49Å; L879-K883 HydrophobicContact CG-CD 4.23Å; L879-K883 WeakPolarHBondContact O-CB 3.45Å; L879-K883 WeakPolarHBondContact O-CD 3.34Å; L879-K883 WeakPolarHBondContact O-CG 3.31Å; L879-K883 PolarHBondContact O-N 2.69Å; L879-K883 VanDerWaalsContact O-N 3.08Å; L879-P978 WeakPolarHBondContact CD1-O 3.3Å; L879-P978 HydrophobicContact CD2-CB 4.02Å; L879-L979 HydrophobicContact CD1-CD1 4.36Å; L879-T982 HydrophobicContact CD1-CG2 4.4Å
880	A	90.9	Very high	89.7	Confident	50 Å²	50	48.6 Å²	48.6	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-73.3	-39.9	176	0	0	0	0	0	111.8	M876 S877 L878 T884	M876-A880 WeakPolarHBondContact O-CB 3.35Å; M876-A880 PolarHBondContact O-N 3.35Å; S877-A880 WeakPolarHBondContact O-CB 3.48Å; S877-A880 PolarHBondContact O-N 3.42Å; L878-A880 VanDerWaalsContact C-N 3.31Å; L878-A880 PolarHBondContact O-N 3.39Å; A880-T884 PolarHBondContact O-N 3.28Å; A880-T884 PolarHBondContact O-OG1 3.34Å
881	D	89	Confident	88.2	Confident	61 Å²	61	53 Å²	53	33%	0.326	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-47.2	174.6	-74.3	-2.1	0	0	0	110.7	S877 L878 K883 T884 M885 Q907	S877-D881 PolarHBondContact O-N 3.14Å; L878-D881 PolarHBondContact O-N 3.42Å; D881-K883 PolarHBondContact O-N 3.43Å; D881-T884 WeakPolarHBondContact O-CA 3.28Å; D881-T884 WeakPolarHBondContact O-CB 3.43Å; D881-T884 PolarHBondContact O-N 3.07Å; D881-T884 VanDerWaalsContact O-N 3.08Å; D881-M885 PolarHBondContact O-N 3.49Å; D881-Q907 PolarHBondContact OD2-NE2 3.07Å
882	L	91.9	Very high	86.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-45	176	-169.3	68.3	0	0	0	111.9	L878 T884 M885 V886 N911 L979 T982 W983 L986	L878-L882 WeakPolarHBondContact O-CB 3.34Å; L878-L882 PolarHBondContact O-N 3.04Å; L882-T884 VanDerWaalsContact C-N 3.31Å; L882-T884 PolarHBondContact O-N 2.98Å; L882-M885 PolarHBondContact O-N 2.68Å; L882-V886 WeakPolarHBondContact O-CG2 3.44Å; L882-V886 PolarHBondContact O-N 3.04Å; L882-N911 HydrophobicContact CD1-CB 3.92Å; L882-N911 HydrophobicContact CD2-CB 4.33Å; L882-L979 HydrophobicContact CD2-CD1 4.06Å; L882-T982 HydrophobicContact CB-CG2 4.16Å; L882-T982 HydrophobicContact CD2-CG2 3.72Å; L882-T982 HydrophobicContact CG-CG2 3.67Å; L882-W983 HydrophobicContact CD1-CE3 4.36Å; L882-L986 HydrophobicContact CD1-CD2 3.7Å
883	K	91.8	Very high	85.3	Confident	68 Å²	68	55.4 Å²	55.4	30%	0.296	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-39.5	174.9	-79	170.5	-178.7	162.7	0	112.1	L879 D881 M885 V886 E887 T982	L879-K883 HydrophobicContact CD1-CD 4.29Å; L879-K883 HydrophobicContact CD1-CG 4.49Å; L879-K883 HydrophobicContact CG-CD 4.23Å; L879-K883 WeakPolarHBondContact O-CB 3.45Å; L879-K883 WeakPolarHBondContact O-CD 3.34Å; L879-K883 WeakPolarHBondContact O-CG 3.31Å; L879-K883 PolarHBondContact O-N 2.69Å; L879-K883 VanDerWaalsContact O-N 3.08Å; D881-K883 PolarHBondContact O-N 3.43Å; K883-M885 VanDerWaalsContact C-N 3.33Å; K883-V886 PolarHBondContact O-N 2.95Å; K883-E887 WeakPolarHBondContact O-CG 3.48Å; K883-E887 PolarHBondContact O-N 3.31Å; K883-E887 VanDerWaalsContact O-N 3.09Å; K883-T982 HydrophobicContact CB-CG2 4.36Å; K883-T982 WeakPolarHBondContact CE-OG1 3.35Å; K883-T982 HydrophobicContact CG-CG2 3.51Å
884	T	88	Confident	83.7	Confident	85 Å²	85	53.2 Å²	53.2	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.6	-57.1	0	0	0	0	110.8	A880 D881 L882 E887 T888	A880-T884 PolarHBondContact O-N 3.28Å; A880-T884 PolarHBondContact O-OG1 3.34Å; D881-T884 WeakPolarHBondContact O-CA 3.28Å; D881-T884 WeakPolarHBondContact O-CB 3.43Å; D881-T884 PolarHBondContact O-N 3.07Å; D881-T884 VanDerWaalsContact O-N 3.08Å; L882-T884 VanDerWaalsContact C-N 3.31Å; L882-T884 PolarHBondContact O-N 2.98Å; T884-E887 PolarHBondContact O-N 3.47Å; T884-T888 PolarHBondContact O-N 3.08Å
885	M	85.4	Confident	82.1	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.059	34%	0.336	C	S	.	.	H	α-helix	trans	-67.6	-40.5	177.9	-165.5	-175.5	-65.6	0	0	113.3	D881 L882 K883 E887 T888 K889 D904 Q907 I908 L986	D881-M885 PolarHBondContact O-N 3.49Å; L882-M885 PolarHBondContact O-N 2.68Å; K883-M885 VanDerWaalsContact C-N 3.33Å; M885-E887 VanDerWaalsContact C-N 3.28Å; M885-E887 PolarHBondContact O-N 2.94Å; M885-T888 WeakPolarHBondContact CA-OG1 3.39Å; M885-T888 PolarHBondContact O-N 3.41Å; M885-T888 PolarHBondContact O-OG1 3.44Å; M885-K889 PolarHBondContact O-N 2.91Å; M885-D904 HydrophobicContact CE-CB 4.42Å; M885-D904 VanDerWaalsContact CE-O 3.23Å; M885-D904 WeakPolarHBondContact CE-O 3.32Å; M885-Q907 HydrophobicContact CE-CB 3.63Å; M885-I908 HydrophobicContact CE-CG1 3.75Å; M885-I908 HydrophobicContact SD-CD1 3.55Å; M885-I908 VanDerWaalsContact SD-CD1 3.55Å; M885-I908 HydrophobicContact SD-CG1 3.27Å; M885-I908 WeakPolarHBondContact SD-CG1 3.46Å; M885-L986 HydrophobicContact CG-CD1 4.38Å; M885-L986 HydrophobicContact SD-CD1 4.36Å
886	V	86.9	Confident	80.5	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.036	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-41.9	171.4	168.7	0	0	0	0	111	L882 K883 K890 T982 D985 L986	L882-V886 WeakPolarHBondContact O-CG2 3.44Å; L882-V886 PolarHBondContact O-N 3.04Å; K883-V886 PolarHBondContact O-N 2.95Å; V886-K890 HydrophobicContact CG1-CD 3.92Å; V886-K890 WeakPolarHBondContact O-CB 3.29Å; V886-K890 VanDerWaalsContact O-CG 3.27Å; V886-K890 WeakPolarHBondContact O-CG 3.48Å; V886-K890 PolarHBondContact O-N 3.21Å; V886-T982 HydrophobicContact CG2-CG2 3.99Å; V886-T982 WeakPolarHBondContact CG2-O 3.44Å; V886-D985 HydrophobicContact CG1-CB 3.89Å; V886-D985 HydrophobicContact CG2-CB 4.32Å; V886-L986 HydrophobicContact CG2-CB 3.72Å; V886-L986 HydrophobicContact CG2-CD1 4.03Å; V886-L986 HydrophobicContact CG2-CG 4.46Å
887	E	84.6	Confident	79.3	Confident	62 Å²	62	53.2 Å²	53.2	29%	0.29	34%	0.337	S	S	.	.	H	α-helix	trans	-66.4	-37.3	177	-73.3	-171.3	179.8	0	0	112.7	C7 K883 T884 M885 V891	C7-E887 PolarHBondContact SG-OE1 2.95Å; C7-E887 VanDerWaalsContact SG-OE1 3.39Å; C7-E887 PolarHBondContact SG-OE2 3.18Å; K883-E887 WeakPolarHBondContact O-CG 3.48Å; K883-E887 PolarHBondContact O-N 3.31Å; K883-E887 VanDerWaalsContact O-N 3.09Å; T884-E887 PolarHBondContact O-N 3.47Å; M885-E887 VanDerWaalsContact C-N 3.28Å; M885-E887 PolarHBondContact O-N 2.94Å; E887-V891 WeakPolarHBondContact O-CG2 3.43Å; E887-V891 PolarHBondContact O-N 2.96Å
888	T	78.3	Confident	78	Confident	81 Å²	81	55.2 Å²	55.2	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-70.5	-42.1	175	57.9	0	0	0	0	112.1	T884 M885 K890 V891 A892	T884-T888 PolarHBondContact O-N 3.08Å; M885-T888 WeakPolarHBondContact CA-OG1 3.39Å; M885-T888 PolarHBondContact O-N 3.41Å; M885-T888 PolarHBondContact O-OG1 3.44Å; T888-K890 VanDerWaalsContact C-N 3.31Å; T888-K890 PolarHBondContact O-N 3.36Å; T888-V891 PolarHBondContact O-N 3.22Å; T888-A892 PolarHBondContact O-N 3.4Å
889	K	77.2	Confident	76.9	Confident	28 Å²	28	55.9 Å²	55.9	12%	0.122	35%	0.35	C	S	.	.	H	α-helix	trans	-53.7	-48.5	172.5	-171.1	-169.3	-173.5	178.7	0	111.1	M885 V891 A892 G893 G895 L897 L986	M885-K889 PolarHBondContact O-N 2.91Å; K889-V891 PolarHBondContact O-N 3.12Å; K889-A892 PolarHBondContact O-N 2.75Å; K889-A892 VanDerWaalsContact O-N 3.13Å; K889-G893 PolarHBondContact O-N 2.72Å; K889-G895 WeakPolarHBondContact CE-O 3.48Å; K889-G895 PolarHBondContact NZ-O 3.32Å; K889-L897 HydrophobicContact CB-CD2 4.09Å; K889-L897 HydrophobicContact CD-CD2 3.77Å; K889-L897 HydrophobicContact CD-CG 3.99Å; K889-L897 HydrophobicContact CG-CD2 3.85Å; K889-L897 HydrophobicContact CG-CG 4.44Å; K889-L986 HydrophobicContact CD-CD1 4.41Å; K889-L986 PolarHBondContact NZ-O 3.07Å
890	K	74.5	Confident	75.8	Confident	119 Å²	119	62.7 Å²	62.7	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-21.2	179.8	-73.6	173.7	178.9	-174.8	0	114	V886 T888 D985	V886-K890 HydrophobicContact CG1-CD 3.92Å; V886-K890 WeakPolarHBondContact O-CB 3.29Å; V886-K890 VanDerWaalsContact O-CG 3.27Å; V886-K890 WeakPolarHBondContact O-CG 3.48Å; V886-K890 PolarHBondContact O-N 3.21Å; T888-K890 VanDerWaalsContact C-N 3.31Å; T888-K890 PolarHBondContact O-N 3.36Å; K890-D985 IonicContact NZ-OD1 3.18Å; K890-D985 PolarHBondContact NZ-OD1 2.9Å; K890-D985 IonicContact NZ-OD2 2.69Å; K890-D985 PolarHBondContact NZ-OD2 3.08Å
891	V	66.2	Low	75.3	Confident	100 Å²	100	62.8 Å²	62.8	61%	0.606	38%	0.375	S	S	*	.	H	α-helix	trans	-86.6	-34	173	171.4	0	0	0	0	112.1	M3 E887 T888 K889 G893	M3-V891 HydrophobicContact CE-CG2 3.89Å; M3-V891 HydrophobicContact SD-CG2 4.36Å; E887-V891 WeakPolarHBondContact O-CG2 3.43Å; E887-V891 PolarHBondContact O-N 2.96Å; T888-V891 PolarHBondContact O-N 3.22Å; K889-V891 PolarHBondContact O-N 3.12Å; V891-G893 VanDerWaalsContact C-N 3.3Å; V891-G893 PolarHBondContact O-N 2.79Å
892	A	68.1	Low	75.1	Confident	72 Å²	72	61.1 Å²	61.1	60%	0.595	36%	0.364	S	S	*	.	H	α-helix	trans	-67.7	-27.9	178.4	0	0	0	0	0	113.2	T888 K889 S894	T888-A892 PolarHBondContact O-N 3.4Å; K889-A892 PolarHBondContact O-N 2.75Å; K889-A892 VanDerWaalsContact O-N 3.13Å; A892-S894 PolarHBondContact O-N 3.01Å; A892-S894 VanDerWaalsContact O-N 3.13Å
893	G	64.4	Low	74.8	Confident	71 Å²	71	65.6 Å²	65.6	73%	0.732	39%	0.387	S	S	*	.			trans	75	-5.3	175.4	0	0	0	0	0	115.3	K889 V891	K889-G893 PolarHBondContact O-N 2.72Å; V891-G893 VanDerWaalsContact C-N 3.3Å; V891-G893 PolarHBondContact O-N 2.79Å
894	S	59.2	Low	74.6	Confident	48 Å²	48	65.1 Å²	65.1	34%	0.336	39%	0.388	S	S	.	.			trans	-74.6	135.2	167.2	178.5	0	0	0	0	110.7	A892 I896	A892-S894 PolarHBondContact O-N 3.01Å; A892-S894 VanDerWaalsContact O-N 3.13Å; S894-I896 VanDerWaalsContact C-N 3.27Å; S894-I896 WeakPolarHBondContact CB-O 3.49Å; S894-I896 PolarHBondContact OG-N 3.34Å; S894-I896 VanDerWaalsContact OG-N 3.11Å; S894-I896 PolarHBondContact OG-O 3.42Å
895	G	59.5	Low	74.8	Confident	57 Å²	57	62 Å²	62	59%	0.588	37%	0.366	S	S	*	.	S	Bend	trans	-69.4	-28	168.3	0	0	0	0	0	112.7	K889	K889-G895 WeakPolarHBondContact CE-O 3.48Å; K889-G895 PolarHBondContact NZ-O 3.32Å
896	I	61.2	Low	75.3	Confident	104 Å²	104	61.9 Å²	61.9	53%	0.533	37%	0.366	S	S	.	.	S	Bend	trans	-89.1	134.9	179.4	-58	169.8	0	0	0	109.3	S894 T898	S894-I896 VanDerWaalsContact C-N 3.27Å; S894-I896 WeakPolarHBondContact CB-O 3.49Å; S894-I896 PolarHBondContact OG-N 3.34Å; S894-I896 VanDerWaalsContact OG-N 3.11Å; S894-I896 PolarHBondContact OG-O 3.42Å; I896-T898 PolarHBondContact O-N 3.2Å
897	L	68.3	Low	75.6	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.052	37%	0.373	C	S	.	.			trans	-77.6	96.4	175.4	-80.2	159.3	0	0	0	111.1	L780 V783 K889 L899 I908 L986	L780-L897 HydrophobicContact CD2-CD1 3.71Å; V783-L897 HydrophobicContact CG2-CB 4.4Å; V783-L897 WeakPolarHBondContact CG2-O 3.16Å; K889-L897 HydrophobicContact CB-CD2 4.09Å; K889-L897 HydrophobicContact CD-CD2 3.77Å; K889-L897 HydrophobicContact CD-CG 3.99Å; K889-L897 HydrophobicContact CG-CD2 3.85Å; K889-L897 HydrophobicContact CG-CG 4.44Å; L897-L899 HydrophobicContact CB-CD1 4.34Å; L897-L899 HydrophobicContact CB-CG 4.2Å; L897-L899 HydrophobicContact CD2-CD2 4.37Å; L897-L899 PolarHBondContact O-N 3.13Å; L897-I908 HydrophobicContact CD1-CD1 4.05Å; L897-L986 HydrophobicContact CD1-CD1 3.81Å; L897-L986 HydrophobicContact CD1-CD2 4.46Å; L897-L986 HydrophobicContact CD1-CG 3.92Å; L897-L986 HydrophobicContact CD2-CD1 3.89Å; L897-L986 HydrophobicContact CG-CD1 4.45Å
898	T	65.2	Low	76	Confident	105 Å²	105	60.5 Å²	60.5	64%	0.644	36%	0.359	S	S	*	.			trans	-80	95.3	172.5	53.9	0	0	0	0	110.2	I896	I896-T898 PolarHBondContact O-N 3.2Å
899	L	70.6	Confident	77	Confident	25 Å²	25	56.7 Å²	56.7	13%	0.131	34%	0.336	C	S	.	.			trans	-111.3	93.4	-177.4	-55.1	176	0	0	0	110.7	V783 L897 D904 R905 I908	V783-L899 HydrophobicContact CG1-CB 4.38Å; V783-L899 HydrophobicContact CG1-CD1 3.71Å; V783-L899 HydrophobicContact CG1-CG 4.27Å; L897-L899 HydrophobicContact CB-CD1 4.34Å; L897-L899 HydrophobicContact CB-CG 4.2Å; L897-L899 HydrophobicContact CD2-CD2 4.37Å; L897-L899 PolarHBondContact O-N 3.13Å; L899-D904 HydrophobicContact CD2-CB 4.06Å; L899-R905 HydrophobicContact CB-CG 3.67Å; L899-R905 HydrophobicContact CD1-CG 4.23Å; L899-I908 HydrophobicContact CD1-CD1 3.3Å; L899-I908 HydrophobicContact CD1-CG1 4.15Å
900	E	69.9	Low	77.9	Confident	152 Å²	152	57 Å²	57	71%	0.71	34%	0.338	S	S	*	.			trans	-78.9	-24.8	-179.3	-61.6	-179.7	172.4	0	0	112.6
901	N	80.9	Confident	79	Confident	51 Å²	51	51.4 Å²	51.4	27%	0.273	31%	0.313	S	S	.	.	S	Bend	trans	-98.5	135.7	-172.2	-178.7	12.5	0	0	0	112.5	I903 D904 R905	N901-I903 PolarHBondContact O-N 2.85Å; N901-I903 PolarHBondContact OD1-N 3.47Å; N901-D904 PolarHBondContact O-N 3.28Å; N901-R905 PolarHBondContact O-N 3.47Å
902	Y	85.4	Confident	80.6	Confident	26 Å²	26	46.6 Å²	46.6	10%	0.102	28%	0.284	C	S	.	.	H	α-helix	trans	-50.4	-41	171.9	171.8	-87.8	0	0	0	112.9	M862 D865 D904 R905 M906	M862-Y902 HydrophobicContact CG-CE2 3.88Å; M862-Y902 HydrophobicContact SD-CE2 4.1Å; D865-Y902 PolarHBondContact OD2-OH 3.06Å; D865-Y902 VanDerWaalsContact OD2-OH 3.12Å; Y902-D904 PolarHBondContact O-N 2.98Å; Y902-R905 PolarHBondContact O-N 3.17Å; Y902-M906 HydrophobicContact CE1-CB 4.18Å; Y902-M906 HydrophobicContact CE1-CG 4.46Å; Y902-M906 HydrophobicContact CE2-CE 4.38Å; Y902-M906 VanDerWaalsContact O-CB 3.29Å; Y902-M906 WeakPolarHBondContact O-CB 3.45Å; Y902-M906 PolarHBondContact O-N 3.5Å
903	I	86.5	Confident	82	Confident	95 Å²	95	43.2 Å²	43.2	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-46.8	-176.1	-58.3	176	0	0	0	110.5	N901 M906 Q907	N901-I903 PolarHBondContact O-N 2.85Å; N901-I903 PolarHBondContact OD1-N 3.47Å; I903-M906 PolarHBondContact O-N 2.93Å; I903-Q907 PolarHBondContact O-N 3.37Å
904	D	87.6	Confident	83.6	Confident	58 Å²	58	39.9 Å²	39.9	31%	0.31	22%	0.221	S	C	.	.	H	α-helix	trans	-69.3	-39.3	-176.1	-47.7	-17.1	0	0	0	110.3	M885 L899 N901 Y902 Q907 I908	M885-D904 HydrophobicContact CE-CB 4.42Å; M885-D904 VanDerWaalsContact CE-O 3.23Å; M885-D904 WeakPolarHBondContact CE-O 3.32Å; L899-D904 HydrophobicContact CD2-CB 4.06Å; N901-D904 PolarHBondContact O-N 3.28Å; Y902-D904 PolarHBondContact O-N 2.98Å; D904-Q907 PolarHBondContact O-N 2.97Å; D904-I908 PolarHBondContact O-N 3.4Å
905	R	91.9	Very high	85.5	Confident	19 Å²	19	37.6 Å²	37.6	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-44.3	173.6	-62.8	-163.7	-46.6	-140.6	4.7	112	F784 E788 L899 N901 Y902 Q907 I908 L909	F784-R905 HydrophobicContact CE1-CB 4.16Å; E788-R905 IonicContact OE1-CZ 3.62Å; E788-R905 IonicContact OE1-NE 3.79Å; E788-R905 PolarHBondContact OE1-NE 2.86Å; E788-R905 IonicContact OE1-NH2 3.6Å; E788-R905 PolarHBondContact OE1-NH2 3.4Å; E788-R905 IonicContact OE2-CZ 2.59Å; E788-R905 IonicContact OE2-NE 2.65Å; E788-R905 IonicContact OE2-NH2 2.75Å; E788-R905 PolarHBondContact OE2-NH2 3.18Å; L899-R905 HydrophobicContact CB-CG 3.67Å; L899-R905 HydrophobicContact CD1-CG 4.23Å; N901-R905 PolarHBondContact O-N 3.47Å; Y902-R905 PolarHBondContact O-N 3.17Å; R905-Q907 VanDerWaalsContact C-N 3.33Å; R905-Q907 PolarHBondContact O-N 3.34Å; R905-I908 PolarHBondContact O-N 2.94Å; R905-I908 VanDerWaalsContact O-N 3.16Å; R905-L909 WeakPolarHBondContact O-CG 3.28Å; R905-L909 PolarHBondContact O-N 3.49Å
906	M	94.5	Very high	87.4	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-41	176.9	-179	49.3	57.4	0	0	111.7	M862 D865 M866 Y902 I903 I908 L909 Q910	M862-M906 HydrophobicContact CB-CE 3.64Å; M862-M906 HydrophobicContact CG-CE 3.51Å; M862-M906 HydrophobicContact SD-CE 4.24Å; D865-M906 HydrophobicContact CB-CE 4.42Å; D865-M906 HydrophobicContact CB-CG 4.24Å; D865-M906 HydrophobicContact CB-SD 3.78Å; M866-M906 HydrophobicContact CG-SD 3.87Å; Y902-M906 HydrophobicContact CE1-CB 4.18Å; Y902-M906 HydrophobicContact CE1-CG 4.46Å; Y902-M906 HydrophobicContact CE2-CE 4.38Å; Y902-M906 VanDerWaalsContact O-CB 3.29Å; Y902-M906 WeakPolarHBondContact O-CB 3.45Å; Y902-M906 PolarHBondContact O-N 3.5Å; I903-M906 PolarHBondContact O-N 2.93Å; M906-I908 VanDerWaalsContact C-N 3.31Å; M906-I908 PolarHBondContact O-N 3.03Å; M906-L909 HydrophobicContact CE-CD1 4.27Å; M906-L909 PolarHBondContact O-N 3.22Å; M906-L909 VanDerWaalsContact O-N 3.16Å; M906-Q910 HydrophobicContact CG-CG 4.3Å; M906-Q910 WeakPolarHBondContact O-CB 3.27Å; M906-Q910 WeakPolarHBondContact O-CG 3.43Å; M906-Q910 PolarHBondContact O-N 2.93Å; M906-Q910 HydrophobicContact SD-CG 3.84Å
907	Q	93.3	Very high	89.1	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-36.5	174.6	-80.3	-179.8	-29.8	0	0	112.8	D881 M885 I903 D904 R905 N911	D881-Q907 PolarHBondContact OD2-NE2 3.07Å; M885-Q907 HydrophobicContact CE-CB 3.63Å; I903-Q907 PolarHBondContact O-N 3.37Å; D904-Q907 PolarHBondContact O-N 2.97Å; R905-Q907 VanDerWaalsContact C-N 3.33Å; R905-Q907 PolarHBondContact O-N 3.34Å; Q907-N911 PolarHBondContact O-N 3.14Å; Q907-N911 PolarHBondContact O-ND2 3.38Å
908	I	94.5	Very high	90.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-47	171.4	-59.9	-169.9	0	0	0	110.9	L780 F784 M885 L897 L899 D904 R905 M906 Q910 N911 M912 W983 L986	L780-I908 HydrophobicContact CD2-CD1 4.23Å; L780-I908 HydrophobicContact CD2-CG2 4.4Å; F784-I908 HydrophobicContact CE2-CG2 4.47Å; F784-I908 HydrophobicContact CZ-CB 3.98Å; F784-I908 HydrophobicContact CZ-CG2 3.73Å; M885-I908 HydrophobicContact CE-CG1 3.75Å; M885-I908 HydrophobicContact SD-CD1 3.55Å; M885-I908 VanDerWaalsContact SD-CD1 3.55Å; M885-I908 HydrophobicContact SD-CG1 3.27Å; M885-I908 WeakPolarHBondContact SD-CG1 3.46Å; L897-I908 HydrophobicContact CD1-CD1 4.05Å; L899-I908 HydrophobicContact CD1-CD1 3.3Å; L899-I908 HydrophobicContact CD1-CG1 4.15Å; D904-I908 PolarHBondContact O-N 3.4Å; R905-I908 PolarHBondContact O-N 2.94Å; R905-I908 VanDerWaalsContact O-N 3.16Å; M906-I908 VanDerWaalsContact C-N 3.31Å; M906-I908 PolarHBondContact O-N 3.03Å; I908-Q910 VanDerWaalsContact C-N 3.33Å; I908-Q910 PolarHBondContact O-N 3.42Å; I908-N911 CarbonylContact O-C 3.59Å; I908-N911 PolarHBondContact O-N 3.14Å; I908-N911 VanDerWaalsContact O-N 3.15Å; I908-M912 HydrophobicContact CG2-CE 4.48Å; I908-M912 WeakPolarHBondContact O-CB 3.27Å; I908-M912 PolarHBondContact O-N 2.88Å; I908-W983 HydrophobicContact CG2-CH2 3.83Å; I908-W983 HydrophobicContact CG2-CZ3 3.91Å; I908-L986 HydrophobicContact CD1-CD2 4.08Å; I908-L986 HydrophobicContact CG1-CD2 4.31Å
909	L	97.4	Very high	92.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-44.9	-178.6	-67.1	173.2	0	0	0	111.5	F784 E788 V792 M866 R905 M906 N911 M912 V913	F784-L909 HydrophobicContact CD1-CD1 4.27Å; F784-L909 HydrophobicContact CD1-CD2 3.76Å; F784-L909 HydrophobicContact CD1-CG 4.05Å; F784-L909 HydrophobicContact CD2-CD2 4.41Å; F784-L909 HydrophobicContact CE1-CD1 4.25Å; F784-L909 HydrophobicContact CE1-CD2 3.57Å; F784-L909 HydrophobicContact CE1-CG 3.63Å; F784-L909 HydrophobicContact CE2-CD2 4.24Å; F784-L909 HydrophobicContact CG-CD2 4.19Å; F784-L909 HydrophobicContact CZ-CD2 3.82Å; F784-L909 HydrophobicContact CZ-CG 4.19Å; E788-L909 HydrophobicContact CB-CD1 4.05Å; E788-L909 HydrophobicContact CG-CD1 4.1Å; V792-L909 HydrophobicContact CB-CD2 4.11Å; V792-L909 HydrophobicContact CG1-CD2 4.26Å; V792-L909 HydrophobicContact CG2-CD2 4.18Å; M866-L909 HydrophobicContact CG-CB 4.36Å; M866-L909 HydrophobicContact SD-CB 3.72Å; M866-L909 HydrophobicContact SD-CD1 4.44Å; R905-L909 WeakPolarHBondContact O-CG 3.28Å; R905-L909 PolarHBondContact O-N 3.49Å; M906-L909 HydrophobicContact CE-CD1 4.27Å; M906-L909 PolarHBondContact O-N 3.22Å; M906-L909 VanDerWaalsContact O-N 3.16Å; L909-N911 PolarHBondContact O-N 3.37Å; L909-M912 WeakPolarHBondContact O-CB 3.32Å; L909-M912 PolarHBondContact O-N 3.02Å; L909-M912 VanDerWaalsContact O-N 3.17Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 3.49Å
910	Q	98	Very high	93.5	Very high	35 Å²	35	25.2 Å²	25.2	16%	0.164	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-48.2	173.2	-72.2	174.1	-43.5	0	0	112.2	D865 M866 A869 L878 M906 I908 M912 H914	D865-Q910 PolarHBondContact O-NE2 2.92Å; M866-Q910 HydrophobicContact CG-CG 4.31Å; A869-Q910 HydrophobicContact CB-CB 3.87Å; A869-Q910 HydrophobicContact CB-CG 3.83Å; L878-Q910 HydrophobicContact CD2-CB 3.97Å; M906-Q910 HydrophobicContact CG-CG 4.3Å; M906-Q910 WeakPolarHBondContact O-CB 3.27Å; M906-Q910 WeakPolarHBondContact O-CG 3.43Å; M906-Q910 PolarHBondContact O-N 2.93Å; M906-Q910 HydrophobicContact SD-CG 3.84Å; I908-Q910 VanDerWaalsContact C-N 3.33Å; I908-Q910 PolarHBondContact O-N 3.42Å; Q910-M912 VanDerWaalsContact C-N 3.31Å; Q910-M912 PolarHBondContact O-N 2.82Å; Q910-H914 WeakPolarHBondContact O-CB 3.41Å; Q910-H914 PolarHBondContact O-N 3.06Å
911	N	97.5	Very high	94.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-68	-29.4	177	-81.5	-86.7	0	0	0	112.9	L878 L882 Q907 I908 L909 H914 C915 W983	L878-N911 PolarHBondContact O-ND2 2.97Å; L878-N911 PolarHBondContact O-OD1 2.78Å; L882-N911 HydrophobicContact CD1-CB 3.92Å; L882-N911 HydrophobicContact CD2-CB 4.33Å; Q907-N911 PolarHBondContact O-N 3.14Å; Q907-N911 PolarHBondContact O-ND2 3.38Å; I908-N911 CarbonylContact O-C 3.59Å; I908-N911 PolarHBondContact O-N 3.14Å; I908-N911 VanDerWaalsContact O-N 3.15Å; L909-N911 PolarHBondContact O-N 3.37Å; N911-H914 PolarHBondContact O-N 3.44Å; N911-C915 WeakPolarHBondContact O-CB 3.25Å; N911-C915 PolarHBondContact O-N 3.36Å; N911-C915 PolarHBondContact O-SG 2.99Å; N911-W983 HydrophobicContact CB-CE3 4.47Å; N911-W983 HydrophobicContact CB-CZ3 4.31Å
912	M	98	Very high	95.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69	-44.5	177.4	-172.9	-175	-72.6	0	0	111.5	T771 L774 L775 L780 F784 I908 L909 Q910 H914 C915 A916 W983	T771-M912 HydrophobicContact CG2-CG 4.4Å; T771-M912 HydrophobicContact CG2-SD 4.03Å; L774-M912 HydrophobicContact CB-CG 3.9Å; L774-M912 HydrophobicContact CB-SD 4.21Å; L774-M912 HydrophobicContact CD1-CG 3.99Å; L775-M912 HydrophobicContact CD2-CE 3.92Å; L775-M912 HydrophobicContact CD2-SD 3.73Å; L775-M912 HydrophobicContact CG-CE 4.32Å; L775-M912 HydrophobicContact CG-SD 3.71Å; L780-M912 HydrophobicContact CD1-CE 3.54Å; F784-M912 HydrophobicContact CE2-CE 3.94Å; F784-M912 HydrophobicContact CZ-CE 4.49Å; I908-M912 HydrophobicContact CG2-CE 4.48Å; I908-M912 WeakPolarHBondContact O-CB 3.27Å; I908-M912 PolarHBondContact O-N 2.88Å; L909-M912 WeakPolarHBondContact O-CB 3.32Å; L909-M912 PolarHBondContact O-N 3.02Å; L909-M912 VanDerWaalsContact O-N 3.17Å; Q910-M912 VanDerWaalsContact C-N 3.31Å; Q910-M912 PolarHBondContact O-N 2.82Å; M912-H914 VanDerWaalsContact C-N 3.34Å; M912-C915 PolarHBondContact O-N 3.35Å; M912-A916 WeakPolarHBondContact O-CB 3.37Å; M912-A916 PolarHBondContact O-N 2.87Å; M912-W983 HydrophobicContact CB-CH2 3.63Å; M912-W983 HydrophobicContact CB-CZ2 4.44Å; M912-W983 HydrophobicContact CB-CZ3 4.03Å; M912-W983 HydrophobicContact CE-CH2 3.77Å; M912-W983 HydrophobicContact CE-CZ2 4.14Å; M912-W983 HydrophobicContact CG-CH2 3.86Å; M912-W983 HydrophobicContact CG-CZ2 4.22Å
913	V	98.6	Very high	96.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-46.3	172.1	-179.6	0	0	0	0	109.5	V792 M866 T870 L909 C915 A916 D917	V792-V913 HydrophobicContact CG2-CG2 3.49Å; V792-V913 VanDerWaalsContact CG2-CG2 3.49Å; M866-V913 HydrophobicContact CB-CG2 4.43Å; M866-V913 HydrophobicContact SD-CG2 4.27Å; T870-V913 HydrophobicContact CG2-CG1 3.76Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 3.49Å; V913-C915 VanDerWaalsContact C-N 3.34Å; V913-C915 PolarHBondContact O-N 3.49Å; V913-A916 WeakPolarHBondContact O-CB 3.35Å; V913-A916 PolarHBondContact O-N 2.84Å; V913-A916 VanDerWaalsContact O-N 3.07Å; V913-D917 WeakPolarHBondContact O-CB 3.31Å; V913-D917 PolarHBondContact O-N 3.14Å
914	H	98.1	Very high	96.9	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-36.5	179.3	-155.4	53	0	0	0	113.8	M872 H875 L878 Q910 N911 M912 L918	M872-H914 VanDerWaalsContact SD-CE1 3.54Å; H875-H914 AromaticContact CG-NE2 3.65Å; H875-H914 AromaticContact ND1-CD2 3.84Å; H875-H914 AromaticContact ND1-NE2 3.21Å; H875-H914 PolarHBondContact ND1-NE2 2.9Å; L878-H914 HydrophobicContact CD1-CB 4.37Å; Q910-H914 WeakPolarHBondContact O-CB 3.41Å; Q910-H914 PolarHBondContact O-N 3.06Å; N911-H914 PolarHBondContact O-N 3.44Å; M912-H914 VanDerWaalsContact C-N 3.34Å; H914-L918 VanDerWaalsContact O-CB 3.29Å; H914-L918 WeakPolarHBondContact O-CB 3.48Å; H914-L918 WeakPolarHBondContact O-CG 3.25Å; H914-L918 PolarHBondContact O-N 2.92Å
915	C	98.4	Very high	97.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.2	-39.2	171.6	-77.4	0	0	0	0	112	L774 N911 M912 V913 L918 S919 W980	L774-C915 HydrophobicContact CD1-CB 4.09Å; N911-C915 WeakPolarHBondContact O-CB 3.25Å; N911-C915 PolarHBondContact O-N 3.36Å; N911-C915 PolarHBondContact O-SG 2.99Å; M912-C915 PolarHBondContact O-N 3.35Å; V913-C915 VanDerWaalsContact C-N 3.34Å; V913-C915 PolarHBondContact O-N 3.49Å; C915-L918 CarbonylContact O-C 3.47Å; C915-L918 VanDerWaalsContact O-C 3.26Å; C915-S919 WeakPolarHBondContact O-CA 3.32Å; C915-S919 WeakPolarHBondContact O-CB 3.23Å; C915-S919 PolarHBondContact O-N 3.05Å; C915-S919 VanDerWaalsContact O-N 3.13Å; C915-W980 HydrophobicContact CB-CH2 4.18Å; C915-W980 HydrophobicContact CB-CZ2 4.03Å; C915-W980 WeakPolarHBondContact O-CZ2 3.38Å
916	A	98.7	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.4	-38.5	179.5	0	0	0	0	0	112.8	V767 T771 L774 M912 V913 S919	V767-A916 HydrophobicContact CG1-CB 3.91Å; T771-A916 WeakPolarHBondContact OG1-CB 3.31Å; L774-A916 HydrophobicContact CD1-CB 4.4Å; M912-A916 WeakPolarHBondContact O-CB 3.37Å; M912-A916 PolarHBondContact O-N 2.87Å; V913-A916 WeakPolarHBondContact O-CB 3.35Å; V913-A916 PolarHBondContact O-N 2.84Å; V913-A916 VanDerWaalsContact O-N 3.07Å; A916-S919 WeakPolarHBondContact O-CB 3.16Å; A916-S919 PolarHBondContact O-OG 2.8Å
917	D	98.7	Very high	97.9	Very high	18 Å²	18	16.6 Å²	16.6	10%	0.096	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-55.3	169.2	177	2.3	0	0	0	110.4	H763 V913 S919	H763-D917 IonicContact CE1-OD1 3.54Å; H763-D917 IonicContact NE2-OD1 3.46Å; V913-D917 WeakPolarHBondContact O-CB 3.31Å; V913-D917 PolarHBondContact O-N 3.14Å; D917-S919 PolarHBondContact O-N 2.98Å
918	L	98.5	Very high	98.1	Very high	11 Å²	11	14.9 Å²	14.9	6%	0.058	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	34.7	176.7	-58.3	175.6	0	0	0	113.7	M872 H914 C915 F971 I975 L979 W980	M872-L918 HydrophobicContact CE-CD1 4.08Å; M872-L918 HydrophobicContact CE-CD2 4Å; M872-L918 HydrophobicContact SD-CD1 3.92Å; M872-L918 HydrophobicContact SD-CD2 3.91Å; M872-L918 HydrophobicContact SD-CG 4.33Å; H914-L918 VanDerWaalsContact O-CB 3.29Å; H914-L918 WeakPolarHBondContact O-CB 3.48Å; H914-L918 WeakPolarHBondContact O-CG 3.25Å; H914-L918 PolarHBondContact O-N 2.92Å; C915-L918 CarbonylContact O-C 3.47Å; C915-L918 VanDerWaalsContact O-C 3.26Å; L918-F971 HydrophobicContact CD2-CE2 4.5Å; L918-F971 HydrophobicContact CD2-CZ 3.84Å; L918-I975 HydrophobicContact CD1-CG2 4.23Å; L918-L979 HydrophobicContact CB-CD2 4.23Å; L918-L979 HydrophobicContact CD1-CD2 3.68Å; L918-W980 PolarHBondContact O-NE1 2.95Å
919	S	98.6	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-23.9	-174.1	68.4	0	0	0	0	114.8	C915 A916 D917 A922 K923	C915-S919 WeakPolarHBondContact O-CA 3.32Å; C915-S919 WeakPolarHBondContact O-CB 3.23Å; C915-S919 PolarHBondContact O-N 3.05Å; C915-S919 VanDerWaalsContact O-N 3.13Å; A916-S919 WeakPolarHBondContact O-CB 3.16Å; A916-S919 PolarHBondContact O-OG 2.8Å; D917-S919 PolarHBondContact O-N 2.98Å; S919-A922 CarbonylContact O-C 3.53Å; S919-A922 WeakPolarHBondContact O-CA 3.45Å; S919-A922 PolarHBondContact O-N 3.42Å; S919-K923 PolarHBondContact O-N 3.27Å; S919-K923 VanDerWaalsContact OG-CE 3.3Å; S919-K923 WeakPolarHBondContact OG-CE 3.5Å; S919-K923 PolarHBondContact OG-NZ 2.82Å
920	N	98.6	Very high	98.3	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.07	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-51.8	-44.9	-170.2	-46.1	-32.4	0	0	0	114.1	Y758 A922 K923 Y928 W931	Y758-N920 WeakPolarHBondContact CE2-ND2 3.29Å; Y758-N920 PolarHBondContact OH-ND2 3.14Å; N920-A922 PolarHBondContact O-N 2.9Å; N920-A922 VanDerWaalsContact O-N 3.11Å; N920-K923 WeakPolarHBondContact O-CB 3.25Å; N920-K923 PolarHBondContact O-N 3.33Å; N920-Y928 HydrophobicContact CB-CD2 4.2Å; N920-Y928 WeakPolarHBondContact O-CB 3.4Å; N920-Y928 WeakPolarHBondContact O-CD2 3.33Å; N920-W931 HydrophobicContact CB-CB 3.81Å; N920-W931 HydrophobicContact CB-CG 3.98Å
921	P	98.7	Very high	98.4	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.019	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-66.6	-12.6	179.7	-22.5	37.5	0	0	0	114.7	Y928 F971 I972 V976 L998 N1001	P921-Y928 HydrophobicContact CB-CD1 4.47Å; P921-Y928 HydrophobicContact CB-CD2 4.36Å; P921-Y928 HydrophobicContact CB-CE1 3.87Å; P921-Y928 HydrophobicContact CB-CE2 3.79Å; P921-Y928 VanDerWaalsContact CB-CZ 3.5Å; P921-Y928 HydrophobicContact CG-CD2 4.36Å; P921-Y928 HydrophobicContact CG-CE2 3.64Å; P921-F971 HydrophobicContact CG-CD1 4.32Å; P921-F971 HydrophobicContact CG-CE1 4.16Å; P921-I972 HydrophobicContact CB-CD1 4Å; P921-I972 HydrophobicContact CB-CG1 3.86Å; P921-I972 HydrophobicContact CG-CG1 4.45Å; P921-V976 HydrophobicContact CB-CG1 4.21Å; P921-V976 HydrophobicContact CG-CG1 4.15Å; P921-V976 HydrophobicContact CG-CG2 4.25Å; P921-L998 HydrophobicContact CB-CD1 3.55Å; P921-L998 WeakPolarHBondContact O-CD1 3.33Å; P921-N1001 PolarHBondContact O-ND2 3.18Å
922	A	98.4	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-106.6	7.3	176.6	0	0	0	0	0	113.1	W703 S919 N920 I994 L998	W703-A922 PolarHBondContact NE1-O 2.97Å; S919-A922 CarbonylContact O-C 3.53Å; S919-A922 WeakPolarHBondContact O-CA 3.45Å; S919-A922 PolarHBondContact O-N 3.42Å; N920-A922 PolarHBondContact O-N 2.9Å; N920-A922 VanDerWaalsContact O-N 3.11Å; A922-I994 HydrophobicContact CB-CG2 3.5Å; A922-L998 HydrophobicContact CB-CB 3.96Å; A922-L998 HydrophobicContact CB-CD1 4.34Å
923	K	98.5	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-83.3	161.8	168.5	-59.3	-71	168.1	67.7	0	110	W703 D766 S770 S919 N920 L927 T997 N1001	W703-K923 HydrophobicContact CZ2-CD 4.16Å; D766-K923 IonicContact OD1-NZ 2.68Å; D766-K923 PolarHBondContact OD1-NZ 3.44Å; D766-K923 IonicContact OD2-NZ 2.76Å; D766-K923 PolarHBondContact OD2-NZ 2.96Å; S770-K923 VanDerWaalsContact OG-CE 3.31Å; S770-K923 WeakPolarHBondContact OG-CE 3.12Å; S770-K923 PolarHBondContact OG-NZ 2.96Å; S919-K923 PolarHBondContact O-N 3.27Å; S919-K923 VanDerWaalsContact OG-CE 3.3Å; S919-K923 WeakPolarHBondContact OG-CE 3.5Å; S919-K923 PolarHBondContact OG-NZ 2.82Å; N920-K923 WeakPolarHBondContact O-CB 3.25Å; N920-K923 PolarHBondContact O-N 3.33Å; K923-L927 HydrophobicContact CB-CB 4.22Å; K923-T997 WeakPolarHBondContact O-CG2 3.48Å; K923-N1001 PolarHBondContact O-ND2 3.38Å
924	P	98.3	Very high	98.4	Very high	57 Å²	57	29.8 Å²	29.8	37%	0.37	15%	0.146	S	C	.	.			trans	-48.3	141.6	169.7	-29	35.3	0	0	0	112.8	D926 L927 Y928	P924-D926 VanDerWaalsContact C-N 3.26Å; P924-D926 PolarHBondContact O-N 3.36Å; P924-D926 VanDerWaalsContact O-N 3.08Å; P924-L927 WeakPolarHBondContact O-CB 3.36Å; P924-L927 PolarHBondContact O-N 3.38Å; P924-Y928 PolarHBondContact O-N 3.09Å
925	L	98.2	Very high	98.4	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.241	16%	0.157	C	C	.	.	H	α-helix	trans	-52.1	-38.6	-168.1	-178	62	0	0	0	114.2	L927 Y928 R929 N1001 W1004	L925-L927 VanDerWaalsContact C-N 3.35Å; L925-L927 PolarHBondContact O-N 3.49Å; L925-Y928 PolarHBondContact O-N 3.43Å; L925-R929 HydrophobicContact CD1-CG 3.94Å; L925-R929 HydrophobicContact CG-CG 4.25Å; L925-R929 WeakPolarHBondContact O-CB 3.43Å; L925-R929 VanDerWaalsContact O-CG 3.27Å; L925-R929 WeakPolarHBondContact O-CG 3.38Å; L925-R929 PolarHBondContact O-N 3.4Å; L925-N1001 WeakPolarHBondContact CB-OD1 3.43Å; L925-N1001 WeakPolarHBondContact CD1-OD1 3.44Å; L925-W1004 HydrophobicContact CD1-CB 4.47Å; L925-W1004 HydrophobicContact CD1-CD2 3.86Å; L925-W1004 HydrophobicContact CD1-CE3 3.77Å; L925-W1004 HydrophobicContact CD1-CG 4.15Å; L925-W1004 HydrophobicContact CD1-CZ3 4.41Å; L925-W1004 HydrophobicContact CD2-CB 4.48Å; L925-W1004 HydrophobicContact CD2-CD2 3.85Å; L925-W1004 HydrophobicContact CD2-CG 3.75Å; L925-W1004 HydrophobicContact CG-CD2 4.46Å
926	D	97.8	Very high	98.4	Very high	112 Å²	112	31.6 Å²	31.6	60%	0.599	16%	0.158	S	C	*	.	H	α-helix	trans	-68.5	-30.8	-179.8	-65.8	-43.4	0	0	0	113.4	P924 Q930	P924-D926 VanDerWaalsContact C-N 3.26Å; P924-D926 PolarHBondContact O-N 3.36Å; P924-D926 VanDerWaalsContact O-N 3.08Å; D926-Q930 WeakPolarHBondContact O-CG 3.49Å; D926-Q930 PolarHBondContact O-N 2.97Å; D926-Q930 PolarHBondContact O-NE2 3.22Å; D926-Q930 VanDerWaalsContact O-NE2 3.11Å
927	L	98.4	Very high	98.3	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.063	17%	0.172	C	C	.	.	H	α-helix	trans	-76.3	-44.2	171.5	-60.4	-179.8	0	0	0	110.4	I705 D706 F708 K923 P924 L925 R929 Q930 W931	I705-L927 VanDerWaalsContact O-CD1 3.32Å; I705-L927 WeakPolarHBondContact O-CD1 3.32Å; D706-L927 HydrophobicContact CB-CD2 4.27Å; F708-L927 HydrophobicContact CD2-CD2 3.84Å; F708-L927 HydrophobicContact CE2-CD2 4.16Å; K923-L927 HydrophobicContact CB-CB 4.22Å; P924-L927 WeakPolarHBondContact O-CB 3.36Å; P924-L927 PolarHBondContact O-N 3.38Å; L925-L927 VanDerWaalsContact C-N 3.35Å; L925-L927 PolarHBondContact O-N 3.49Å; L927-R929 PolarHBondContact O-N 3.27Å; L927-Q930 PolarHBondContact O-N 3.21Å; L927-W931 PolarHBondContact O-N 3.44Å
928	Y	98.6	Very high	98.3	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-45.2	178.3	179.3	-155	0	0	0	111.6	N920 P921 P924 L925 Q930 W931 T932 Q968 I972 N1001 Y1005	N920-Y928 HydrophobicContact CB-CD2 4.2Å; N920-Y928 WeakPolarHBondContact O-CB 3.4Å; N920-Y928 WeakPolarHBondContact O-CD2 3.33Å; P921-Y928 HydrophobicContact CB-CD1 4.47Å; P921-Y928 HydrophobicContact CB-CD2 4.36Å; P921-Y928 HydrophobicContact CB-CE1 3.87Å; P921-Y928 HydrophobicContact CB-CE2 3.79Å; P921-Y928 VanDerWaalsContact CB-CZ 3.5Å; P921-Y928 HydrophobicContact CG-CD2 4.36Å; P921-Y928 HydrophobicContact CG-CE2 3.64Å; P924-Y928 PolarHBondContact O-N 3.09Å; L925-Y928 PolarHBondContact O-N 3.43Å; Y928-Q930 VanDerWaalsContact C-N 3.32Å; Y928-Q930 PolarHBondContact O-N 3.21Å; Y928-W931 CarbonylContact O-C 3.58Å; Y928-W931 PolarHBondContact O-N 2.93Å; Y928-W931 VanDerWaalsContact O-N 3.12Å; Y928-T932 WeakPolarHBondContact CE2-OG1 3.26Å; Y928-T932 PolarHBondContact O-N 3.18Å; Y928-T932 PolarHBondContact O-OG1 3.18Å; Y928-Q968 PolarHBondContact OH-OE1 3.01Å; Y928-I972 HydrophobicContact CE1-CD1 4.26Å; Y928-N1001 HydrophobicContact CD1-CB 3.82Å; Y928-N1001 HydrophobicContact CE1-CB 3.96Å; Y928-Y1005 HydrophobicContact CD1-CD2 4.36Å; Y928-Y1005 AromaticContact CD1-CE2 3.78Å; Y928-Y1005 HydrophobicContact CD1-CE2 3.78Å; Y928-Y1005 AromaticContact CE1-CD2 3.64Å; Y928-Y1005 HydrophobicContact CE1-CD2 3.64Å; Y928-Y1005 AromaticContact CE1-CE2 3.31Å; Y928-Y1005 HydrophobicContact CE1-CE2 3.31Å; Y928-Y1005 HydrophobicContact CE2-CE2 4.46Å; Y928-Y1005 AromaticContact CZ-CE2 3.7Å
929	R	98.2	Very high	98.3	Very high	105 Å²	105	35.4 Å²	35.4	40%	0.396	18%	0.175	S	C	.	.	H	α-helix	trans	-61.3	-37.8	177.5	-72.9	174.7	69.2	-143.4	3.5	112.7	L925 L927 T932 N933 W1004	L925-R929 HydrophobicContact CD1-CG 3.94Å; L925-R929 HydrophobicContact CG-CG 4.25Å; L925-R929 WeakPolarHBondContact O-CB 3.43Å; L925-R929 VanDerWaalsContact O-CG 3.27Å; L925-R929 WeakPolarHBondContact O-CG 3.38Å; L925-R929 PolarHBondContact O-N 3.4Å; L927-R929 PolarHBondContact O-N 3.27Å; R929-T932 PolarHBondContact O-N 2.93Å; R929-N933 PolarHBondContact O-N 3.32Å; R929-N933 PolarHBondContact O-ND2 2.85Å; R929-N933 PolarHBondContact O-OD1 3.27Å; R929-W1004 HydrophobicContact CG-CH2 4.33Å; R929-W1004 HydrophobicContact CG-CZ3 4.18Å
930	Q	98.4	Very high	98.3	Very high	71 Å²	71	36.4 Å²	36.4	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-65	-43.1	173.3	-74.5	179.4	87.4	0	0	111.7	F708 D926 L927 Y928 N933 R934	F708-Q930 HydrophobicContact CD2-CB 4.12Å; F708-Q930 HydrophobicContact CD2-CG 4.48Å; F708-Q930 HydrophobicContact CE2-CB 3.45Å; F708-Q930 VanDerWaalsContact CE2-CB 3.45Å; F708-Q930 HydrophobicContact CE2-CG 4.27Å; F708-Q930 HydrophobicContact CZ-CB 3.77Å; D926-Q930 WeakPolarHBondContact O-CG 3.49Å; D926-Q930 PolarHBondContact O-N 2.97Å; D926-Q930 PolarHBondContact O-NE2 3.22Å; D926-Q930 VanDerWaalsContact O-NE2 3.11Å; L927-Q930 PolarHBondContact O-N 3.21Å; Y928-Q930 VanDerWaalsContact C-N 3.32Å; Y928-Q930 PolarHBondContact O-N 3.21Å; Q930-N933 PolarHBondContact O-N 2.87Å; Q930-R934 VanDerWaalsContact O-CG 3.32Å; Q930-R934 WeakPolarHBondContact O-CG 2.97Å; Q930-R934 PolarHBondContact O-N 3.48Å; Q930-R934 VanDerWaalsContact O-N 3.08Å
931	W	98.7	Very high	98.2	Very high	2 Å²	2	39 Å²	39	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-42.1	173.7	-75.8	131.9	0	0	0	113	I707 F708 Y758 V762 H763 D766 N920 L927 Y928 N933 R934 V935	I707-W931 HydrophobicContact CG2-CZ2 3.78Å; F708-W931 HydrophobicContact CE1-CD2 4.31Å; F708-W931 HydrophobicContact CE1-CE3 4.29Å; F708-W931 AromaticContact CE1-CH2 3.75Å; F708-W931 HydrophobicContact CE1-CH2 3.75Å; F708-W931 AromaticContact CE1-CZ2 3.81Å; F708-W931 HydrophobicContact CE1-CZ2 3.81Å; F708-W931 HydrophobicContact CE1-CZ3 4.02Å; F708-W931 HydrophobicContact CE2-CD2 4.45Å; F708-W931 HydrophobicContact CE2-CZ2 4.48Å; F708-W931 AromaticContact CZ-CD2 3.57Å; F708-W931 HydrophobicContact CZ-CD2 3.57Å; F708-W931 AromaticContact CZ-CE2 3.42Å; F708-W931 VanDerWaalsContact CZ-CE2 3.42Å; F708-W931 AromaticContact CZ-CE3 3.93Å; F708-W931 HydrophobicContact CZ-CE3 3.93Å; F708-W931 HydrophobicContact CZ-CG 4.07Å; F708-W931 AromaticContact CZ-CH2 3.94Å; F708-W931 HydrophobicContact CZ-CH2 3.94Å; F708-W931 AromaticContact CZ-CZ2 3.63Å; F708-W931 HydrophobicContact CZ-CZ2 3.63Å; F708-W931 HydrophobicContact CZ-CZ3 4.11Å; F708-W931 AromaticContact CZ-NE1 3.93Å; Y758-W931 AromaticContact CD2-CE3 3.68Å; Y758-W931 HydrophobicContact CD2-CE3 3.68Å; Y758-W931 HydrophobicContact CD2-CZ3 4.19Å; Y758-W931 HydrophobicContact CE2-CD2 4.33Å; Y758-W931 AromaticContact CE2-CE3 3.69Å; Y758-W931 HydrophobicContact CE2-CE3 3.69Å; Y758-W931 HydrophobicContact CE2-CZ3 4.34Å; V762-W931 HydrophobicContact CB-CH2 4.22Å; V762-W931 HydrophobicContact CG1-CH2 4Å; V762-W931 HydrophobicContact CG1-CZ2 4.43Å; H763-W931 HydrophobicContact CB-CH2 3.9Å; H763-W931 HydrophobicContact CB-CZ3 4Å; D766-W931 HydrophobicContact CB-CZ2 3.86Å; D766-W931 PolarHBondContact OD2-NE1 2.9Å; N920-W931 HydrophobicContact CB-CB 3.81Å; N920-W931 HydrophobicContact CB-CG 3.98Å; L927-W931 PolarHBondContact O-N 3.44Å; Y928-W931 CarbonylContact O-C 3.58Å; Y928-W931 PolarHBondContact O-N 2.93Å; Y928-W931 VanDerWaalsContact O-N 3.12Å; W931-N933 PolarHBondContact O-N 3.32Å; W931-R934 HydrophobicContact CE3-CB 4.48Å; W931-R934 PolarHBondContact O-N 2.76Å; W931-V935 PolarHBondContact O-N 2.71Å
932	T	98.3	Very high	98.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-47.4	174.6	-62	0	0	0	0	111.3	Y928 R929 R934 V935 M936 I964 Q968 Y1005	Y928-T932 WeakPolarHBondContact CE2-OG1 3.26Å; Y928-T932 PolarHBondContact O-N 3.18Å; Y928-T932 PolarHBondContact O-OG1 3.18Å; R929-T932 PolarHBondContact O-N 2.93Å; T932-R934 VanDerWaalsContact C-N 3.29Å; T932-R934 PolarHBondContact O-N 3.35Å; T932-V935 WeakPolarHBondContact O-CG1 3.32Å; T932-V935 PolarHBondContact O-N 2.89Å; T932-M936 HydrophobicContact CG2-CG 4.19Å; T932-M936 WeakPolarHBondContact O-CB 3.45Å; T932-M936 VanDerWaalsContact O-CG 3.25Å; T932-M936 WeakPolarHBondContact O-CG 3.43Å; T932-M936 PolarHBondContact O-N 3.14Å; T932-I964 HydrophobicContact CG2-CG2 3.65Å; T932-Q968 HydrophobicContact CG2-CG 3.74Å; T932-Y1005 VanDerWaalsContact CB-OH 3.28Å; T932-Y1005 WeakPolarHBondContact CB-OH 3.47Å; T932-Y1005 WeakPolarHBondContact CG2-OH 3.41Å; T932-Y1005 PolarHBondContact OG1-OH 3.02Å; T932-Y1005 VanDerWaalsContact OG1-OH 3.05Å
933	N	97.9	Very high	98.2	Very high	101 Å²	101	39 Å²	39	54%	0.54	19%	0.191	S	C	.	.	H	α-helix	trans	-60.6	-40.7	178.4	-69.5	-14.1	0	0	0	111.7	R929 Q930 W931 E937	R929-N933 PolarHBondContact O-N 3.32Å; R929-N933 PolarHBondContact O-ND2 2.85Å; R929-N933 PolarHBondContact O-OD1 3.27Å; Q930-N933 PolarHBondContact O-N 2.87Å; W931-N933 PolarHBondContact O-N 3.32Å; N933-E937 WeakPolarHBondContact O-CB 3.36Å; N933-E937 PolarHBondContact O-N 3.1Å
934	R	98.5	Very high	98.2	Very high	69 Å²	69	40.6 Å²	40.6	26%	0.26	20%	0.199	S	C	.	.	H	α-helix	trans	-65.3	-50.4	177.7	-75.4	173.2	177.2	-86.2	8.8	112.5	P757 Y758 Q930 W931 T932 M936 E937 E938	P757-R934 WeakPolarHBondContact CB-O 3.28Å; P757-R934 VanDerWaalsContact O-CB 3.31Å; P757-R934 WeakPolarHBondContact O-CB 3.32Å; P757-R934 WeakPolarHBondContact O-CD 3.41Å; P757-R934 VanDerWaalsContact O-CG 3.25Å; P757-R934 WeakPolarHBondContact O-CG 3.32Å; P757-R934 PolarHBondContact O-NH1 3.35Å; Y758-R934 HydrophobicContact CD2-CB 4.25Å; Q930-R934 VanDerWaalsContact O-CG 3.32Å; Q930-R934 WeakPolarHBondContact O-CG 2.97Å; Q930-R934 PolarHBondContact O-N 3.48Å; Q930-R934 VanDerWaalsContact O-N 3.08Å; W931-R934 HydrophobicContact CE3-CB 4.48Å; W931-R934 PolarHBondContact O-N 2.76Å; T932-R934 VanDerWaalsContact C-N 3.29Å; T932-R934 PolarHBondContact O-N 3.35Å; R934-M936 VanDerWaalsContact C-N 3.35Å; R934-M936 PolarHBondContact O-N 2.94Å; R934-E937 PolarHBondContact O-N 2.78Å; R934-E938 PolarHBondContact O-N 3.27Å
935	V	98.1	Very high	98.1	Very high	37 Å²	37	41.1 Å²	41.1	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-37.6	-179.2	73.1	0	0	0	0	111.4	Y758 W931 T932 E938 L939	Y758-V935 HydrophobicContact CD1-CG2 4.39Å; Y758-V935 HydrophobicContact CD2-CB 3.64Å; Y758-V935 HydrophobicContact CD2-CG2 4.26Å; Y758-V935 HydrophobicContact CE2-CB 4.14Å; Y758-V935 HydrophobicContact CG-CB 3.91Å; Y758-V935 HydrophobicContact CG-CG2 4.17Å; W931-V935 PolarHBondContact O-N 2.71Å; T932-V935 WeakPolarHBondContact O-CG1 3.32Å; T932-V935 PolarHBondContact O-N 2.89Å; V935-E938 PolarHBondContact O-N 3.11Å; V935-L939 HydrophobicContact CG2-CD1 4.23Å; V935-L939 WeakPolarHBondContact O-CB 3.48Å; V935-L939 VanDerWaalsContact O-CG 3.23Å; V935-L939 WeakPolarHBondContact O-CG 3.5Å; V935-L939 PolarHBondContact O-N 2.78Å
936	M	97.7	Very high	98.1	Very high	3 Å²	3	39 Å²	39	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-42.2	175.6	-68.3	-52.7	-46.1	0	0	111.9	T932 R934 E938 L939 F940 A962 I964	T932-M936 HydrophobicContact CG2-CG 4.19Å; T932-M936 WeakPolarHBondContact O-CB 3.45Å; T932-M936 VanDerWaalsContact O-CG 3.25Å; T932-M936 WeakPolarHBondContact O-CG 3.43Å; T932-M936 PolarHBondContact O-N 3.14Å; R934-M936 VanDerWaalsContact C-N 3.35Å; R934-M936 PolarHBondContact O-N 2.94Å; M936-E938 PolarHBondContact O-N 3.47Å; M936-L939 HydrophobicContact CE-CD1 4.5Å; M936-L939 PolarHBondContact O-N 3.45Å; M936-L939 HydrophobicContact SD-CD1 4.23Å; M936-F940 HydrophobicContact CB-CE2 4.08Å; M936-F940 HydrophobicContact CB-CZ 4.18Å; M936-F940 HydrophobicContact CE-CD1 4.3Å; M936-F940 HydrophobicContact CE-CE1 3.4Å; M936-F940 VanDerWaalsContact CE-CE1 3.4Å; M936-F940 HydrophobicContact CE-CE2 4.44Å; M936-F940 HydrophobicContact CE-CZ 3.49Å; M936-F940 VanDerWaalsContact CE-CZ 3.49Å; M936-F940 WeakPolarHBondContact O-CB 3.47Å; M936-F940 WeakPolarHBondContact O-CD1 3.4Å; M936-F940 WeakPolarHBondContact O-CD2 3.33Å; M936-F940 WeakPolarHBondContact O-CG 3.37Å; M936-F940 PolarHBondContact O-N 2.8Å; M936-A962 HydrophobicContact CE-CB 4.28Å; M936-I964 HydrophobicContact CE-CG1 4.3Å; M936-I964 HydrophobicContact CG-CD1 4.3Å; M936-I964 HydrophobicContact CG-CG1 4.11Å; M936-I964 HydrophobicContact CG-CG2 4Å
937	E	98.3	Very high	98.1	Very high	66 Å²	66	38.4 Å²	38.4	31%	0.308	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-37	176.4	177.9	53.5	-154.2	0	0	112.2	P757 N933 R934 F940 Q941 R959	P757-E937 HydrophobicContact CB-CB 4.28Å; P757-E937 HydrophobicContact CB-CG 4.26Å; P757-E937 HydrophobicContact CG-CB 4.48Å; P757-E937 HydrophobicContact CG-CG 4.02Å; N933-E937 WeakPolarHBondContact O-CB 3.36Å; N933-E937 PolarHBondContact O-N 3.1Å; R934-E937 PolarHBondContact O-N 2.78Å; E937-F940 PolarHBondContact O-N 3.24Å; E937-Q941 VanDerWaalsContact O-CG 3.31Å; E937-Q941 WeakPolarHBondContact O-CG 3.45Å; E937-Q941 PolarHBondContact O-N 2.57Å; E937-Q941 WeakPolarHBondContact OE1-CG 3.42Å; E937-Q941 PolarHBondContact OE1-NE2 3.21Å; E937-R959 IonicContact OE1-NH2 3.01Å; E937-R959 IonicContact OE2-CZ 3.37Å; E937-R959 IonicContact OE2-NH1 2.67Å; E937-R959 PolarHBondContact OE2-NH1 3.03Å; E937-R959 IonicContact OE2-NH2 3.15Å
938	E	98.5	Very high	98	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-42.1	174.4	-165.2	170.1	135.4	0	0	112.5	N756 P757 Y758 H759 H803 G805 R934 V935 M936 F940 Q941 Q942	N756-E938 VanDerWaalsContact CB-OE2 3.31Å; N756-E938 WeakPolarHBondContact CB-OE2 3.44Å; P757-E938 HydrophobicContact CB-CB 4.1Å; P757-E938 HydrophobicContact CG-CB 4.05Å; Y758-E938 WeakPolarHBondContact CA-OE2 3.38Å; Y758-E938 WeakPolarHBondContact CB-OE2 3.3Å; Y758-E938 PolarHBondContact N-OE2 3.05Å; H759-E938 IonicContact CE1-OE1 3.87Å; H759-E938 IonicContact CG-OE1 3.99Å; H759-E938 PolarHBondContact N-OE2 3.41Å; H759-E938 IonicContact ND1-OE1 2.57Å; H759-E938 PolarHBondContact ND1-OE1 2.94Å; H759-E938 IonicContact ND1-OE2 2.78Å; H803-E938 IonicContact CE1-OE1 3.35Å; H803-E938 PolarHBondContact CE1-OE1 3.11Å; H803-E938 IonicContact ND1-OE1 3.14Å; G805-E938 VanDerWaalsContact CA-OE1 3.31Å; G805-E938 WeakPolarHBondContact CA-OE1 3.3Å; R934-E938 PolarHBondContact O-N 3.27Å; V935-E938 PolarHBondContact O-N 3.11Å; M936-E938 PolarHBondContact O-N 3.47Å; E938-F940 VanDerWaalsContact C-N 3.3Å; E938-F940 PolarHBondContact O-N 2.99Å; E938-Q941 PolarHBondContact O-N 2.98Å; E938-Q942 PolarHBondContact O-N 3.49Å
939	L	97.7	Very high	97.9	Very high	33 Å²	33	50.2 Å²	50.2	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-39.2	172.6	-70.2	167.7	0	0	0	111.5	V935 M936 Q942 G943 I956 C957	V935-L939 HydrophobicContact CG2-CD1 4.23Å; V935-L939 WeakPolarHBondContact O-CB 3.48Å; V935-L939 VanDerWaalsContact O-CG 3.23Å; V935-L939 WeakPolarHBondContact O-CG 3.5Å; V935-L939 PolarHBondContact O-N 2.78Å; M936-L939 HydrophobicContact CE-CD1 4.5Å; M936-L939 PolarHBondContact O-N 3.45Å; M936-L939 HydrophobicContact SD-CD1 4.23Å; L939-Q942 PolarHBondContact O-N 3.36Å; L939-G943 PolarHBondContact O-N 3.29Å; L939-I956 HydrophobicContact CD1-CD1 3.7Å; L939-I956 HydrophobicContact CD1-CG1 4.19Å; L939-C957 VanDerWaalsContact O-CB 3.25Å; L939-C957 WeakPolarHBondContact O-CB 3.41Å
940	F	98.1	Very high	97.7	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-36.5	175.2	-61.6	-23.5	0	0	0	112.5	M936 E937 E938 G943 D944 C957 R959 A962	M936-F940 HydrophobicContact CB-CE2 4.08Å; M936-F940 HydrophobicContact CB-CZ 4.18Å; M936-F940 HydrophobicContact CE-CD1 4.3Å; M936-F940 HydrophobicContact CE-CE1 3.4Å; M936-F940 VanDerWaalsContact CE-CE1 3.4Å; M936-F940 HydrophobicContact CE-CE2 4.44Å; M936-F940 HydrophobicContact CE-CZ 3.49Å; M936-F940 VanDerWaalsContact CE-CZ 3.49Å; M936-F940 WeakPolarHBondContact O-CB 3.47Å; M936-F940 WeakPolarHBondContact O-CD1 3.4Å; M936-F940 WeakPolarHBondContact O-CD2 3.33Å; M936-F940 WeakPolarHBondContact O-CG 3.37Å; M936-F940 PolarHBondContact O-N 2.8Å; E937-F940 PolarHBondContact O-N 3.24Å; E938-F940 VanDerWaalsContact C-N 3.3Å; E938-F940 PolarHBondContact O-N 2.99Å; F940-G943 PolarHBondContact O-N 2.8Å; F940-D944 PolarHBondContact O-N 3.46Å; F940-C957 WeakPolarHBondContact CA-O 3.43Å; F940-R959 HydrophobicContact CB-CB 4.1Å; F940-R959 HydrophobicContact CD1-CB 3.82Å; F940-R959 HydrophobicContact CD2-CB 3.83Å; F940-R959 HydrophobicContact CE1-CB 4.14Å; F940-R959 HydrophobicContact CE2-CB 4.15Å; F940-R959 HydrophobicContact CG-CB 3.65Å; F940-R959 HydrophobicContact CZ-CB 4.29Å; F940-A962 HydrophobicContact CE1-CB 3.72Å; F940-A962 HydrophobicContact CZ-CB 4.16Å
941	Q	98.2	Very high	97.5	Very high	67 Å²	67	47.9 Å²	47.9	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-34.8	172.1	-72.1	173.7	18.1	0	0	112.4	E937 E938 K945	E937-Q941 VanDerWaalsContact O-CG 3.31Å; E937-Q941 WeakPolarHBondContact O-CG 3.45Å; E937-Q941 PolarHBondContact O-N 2.57Å; E937-Q941 WeakPolarHBondContact OE1-CG 3.42Å; E937-Q941 PolarHBondContact OE1-NE2 3.21Å; E938-Q941 PolarHBondContact O-N 2.98Å; Q941-K945 VanDerWaalsContact O-CG 3.29Å; Q941-K945 WeakPolarHBondContact O-CG 3.28Å; Q941-K945 PolarHBondContact O-N 3.12Å
942	Q	98.3	Very high	97.3	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-47.7	168	-173.6	-175.1	-66.1	0	0	110.9	V806 T807 Y810 E938 L939 D944 K945 E946 S954	V806-Q942 HydrophobicContact CB-CG 4.3Å; V806-Q942 HydrophobicContact CG1-CB 4.19Å; V806-Q942 HydrophobicContact CG1-CG 3.96Å; T807-Q942 PolarHBondContact OG1-NE2 3.42Å; T807-Q942 PolarHBondContact OG1-OE1 2.85Å; Y810-Q942 HydrophobicContact CD2-CG 3.69Å; Y810-Q942 HydrophobicContact CE2-CG 4.31Å; Y810-Q942 HydrophobicContact CG-CG 4.17Å; E938-Q942 PolarHBondContact O-N 3.49Å; L939-Q942 PolarHBondContact O-N 3.36Å; Q942-D944 VanDerWaalsContact C-N 3.27Å; Q942-D944 PolarHBondContact O-N 3.03Å; Q942-K945 WeakPolarHBondContact O-CB 3.25Å; Q942-K945 PolarHBondContact O-N 3.34Å; Q942-K945 VanDerWaalsContact O-N 3.14Å; Q942-E946 HydrophobicContact CG-CG 4.3Å; Q942-E946 PolarHBondContact NE2-OE1 3.44Å; Q942-E946 WeakPolarHBondContact O-CG 3.33Å; Q942-E946 PolarHBondContact O-N 3.02Å; Q942-S954 PolarHBondContact NE2-OG 3.46Å
943	G	97.9	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-30	-178.6	0	0	0	0	0	114.2	L939 F940 E946 R947 C957	L939-G943 PolarHBondContact O-N 3.29Å; F940-G943 PolarHBondContact O-N 2.8Å; G943-E946 WeakPolarHBondContact CA-OE2 3.5Å; G943-R947 WeakPolarHBondContact O-CB 3.43Å; G943-R947 PolarHBondContact O-N 2.98Å; G943-C957 WeakPolarHBondContact CA-O 3.39Å
944	D	97.9	Very high	97	Very high	33 Å²	33	55.1 Å²	55.1	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-69.3	-45.5	171.9	-64.3	-25.1	0	0	0	111.2	F940 Q942 E946 R947 E948 R959	F940-D944 PolarHBondContact O-N 3.46Å; Q942-D944 VanDerWaalsContact C-N 3.27Å; Q942-D944 PolarHBondContact O-N 3.03Å; D944-E946 VanDerWaalsContact C-N 3.33Å; D944-E946 PolarHBondContact O-N 3.34Å; D944-R947 WeakPolarHBondContact O-CB 3.21Å; D944-R947 PolarHBondContact O-N 3.34Å; D944-R947 IonicContact OD1-CZ 3.68Å; D944-R947 IonicContact OD1-NH1 2.75Å; D944-R947 PolarHBondContact OD1-NH1 3.08Å; D944-R947 IonicContact OD1-NH2 3.38Å; D944-R947 PolarHBondContact OD1-NH2 3.05Å; D944-R947 VanDerWaalsContact OD1-NH2 3.15Å; D944-E948 WeakPolarHBondContact O-CG 3.41Å; D944-E948 PolarHBondContact O-N 3.26Å; D944-R959 IonicContact OD1-NE 3.8Å; D944-R959 PolarHBondContact OD1-NE 2.94Å; D944-R959 IonicContact OD2-CZ 3.52Å; D944-R959 IonicContact OD2-NE 2.79Å; D944-R959 PolarHBondContact OD2-NE 3.11Å; D944-R959 IonicContact OD2-NH2 3.64Å; D944-R959 PolarHBondContact OD2-NH2 2.78Å
945	K	97.7	Very high	96.7	Very high	69 Å²	69	57.4 Å²	57.4	30%	0.3	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-41.1	172.5	-66.2	165.1	-173.6	170.9	0	112.1	V806 Y810 Q941 Q942 R947 E948 L949	V806-K945 HydrophobicContact CG1-CD 3.88Å; Y810-K945 HydrophobicContact CE2-CB 4.04Å; Q941-K945 VanDerWaalsContact O-CG 3.29Å; Q941-K945 WeakPolarHBondContact O-CG 3.28Å; Q941-K945 PolarHBondContact O-N 3.12Å; Q942-K945 WeakPolarHBondContact O-CB 3.25Å; Q942-K945 PolarHBondContact O-N 3.34Å; Q942-K945 VanDerWaalsContact O-N 3.14Å; K945-R947 VanDerWaalsContact C-N 3.34Å; K945-E948 PolarHBondContact O-N 2.82Å; K945-L949 WeakPolarHBondContact O-CB 3.45Å; K945-L949 WeakPolarHBondContact O-CG 3.37Å; K945-L949 PolarHBondContact O-N 3.26Å
946	E	98.2	Very high	96.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-41.7	175.9	-71.9	170.2	157.3	0	0	111.5	Y810 Q942 G943 D944 L949 G950 I951 I953 S954	Y810-E946 HydrophobicContact CD2-CG 3.67Å; Y810-E946 HydrophobicContact CE2-CG 3.8Å; Q942-E946 HydrophobicContact CG-CG 4.3Å; Q942-E946 PolarHBondContact NE2-OE1 3.44Å; Q942-E946 WeakPolarHBondContact O-CG 3.33Å; Q942-E946 PolarHBondContact O-N 3.02Å; G943-E946 WeakPolarHBondContact CA-OE2 3.5Å; D944-E946 VanDerWaalsContact C-N 3.33Å; D944-E946 PolarHBondContact O-N 3.34Å; E946-L949 PolarHBondContact O-N 2.96Å; E946-G950 PolarHBondContact O-N 3.37Å; E946-G950 VanDerWaalsContact O-N 3.14Å; E946-I951 HydrophobicContact CB-CD1 4.26Å; E946-I951 HydrophobicContact CB-CG1 3.85Å; E946-I951 HydrophobicContact CG-CD1 3.93Å; E946-I951 HydrophobicContact CG-CG1 4.08Å; E946-I951 WeakPolarHBondContact O-CG1 3.4Å; E946-I951 PolarHBondContact O-N 3.41Å; E946-I951 VanDerWaalsContact O-N 3.07Å; E946-I953 HydrophobicContact CB-CG1 4.31Å; E946-I953 WeakPolarHBondContact OE2-CA 3.21Å; E946-S954 VanDerWaalsContact OE1-CB 3.31Å; E946-S954 WeakPolarHBondContact OE1-CB 3.23Å; E946-S954 PolarHBondContact OE1-OG 2.8Å; E946-S954 WeakPolarHBondContact OE2-CB 3.29Å; E946-S954 PolarHBondContact OE2-N 3Å
947	R	96.6	Very high	96.2	Very high	101 Å²	101	59.6 Å²	59.6	38%	0.381	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-40.7	175.9	-161.2	-176.4	-52.6	106.9	0.8	112.1	G943 D944 K945 G950 I953 D958	G943-R947 WeakPolarHBondContact O-CB 3.43Å; G943-R947 PolarHBondContact O-N 2.98Å; D944-R947 WeakPolarHBondContact O-CB 3.21Å; D944-R947 PolarHBondContact O-N 3.34Å; D944-R947 IonicContact OD1-CZ 3.68Å; D944-R947 IonicContact OD1-NH1 2.75Å; D944-R947 PolarHBondContact OD1-NH1 3.08Å; D944-R947 IonicContact OD1-NH2 3.38Å; D944-R947 PolarHBondContact OD1-NH2 3.05Å; D944-R947 VanDerWaalsContact OD1-NH2 3.15Å; K945-R947 VanDerWaalsContact C-N 3.34Å; R947-G950 PolarHBondContact O-N 3.25Å; R947-I953 HydrophobicContact CB-CD1 3.94Å; R947-I953 HydrophobicContact CB-CG1 4.3Å; R947-I953 HydrophobicContact CG-CD1 4.05Å; R947-D958 IonicContact NH2-OD1 3.47Å; R947-D958 PolarHBondContact NH2-OD1 3.24Å
948	E	96.8	Very high	96.1	Very high	163 Å²	163	57.7 Å²	57.7	76%	0.762	31%	0.305	S	S	*	.	H	α-helix	trans	-64.9	-39.8	176	-73.9	173.1	-177.4	0	0	112.6	D944 K945 G950	D944-E948 WeakPolarHBondContact O-CG 3.41Å; D944-E948 PolarHBondContact O-N 3.26Å; K945-E948 PolarHBondContact O-N 2.82Å; E948-G950 PolarHBondContact O-N 3.04Å
949	L	95.9	Very high	95.9	Very high	100 Å²	100	61.9 Å²	61.9	52%	0.524	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.6	176.1	-68.5	174.9	0	0	0	113.8	Y810 T814 K945 E946 I951	Y810-L949 HydrophobicContact CE2-CD1 4.35Å; Y810-L949 WeakPolarHBondContact OH-CD1 3Å; T814-L949 HydrophobicContact CG2-CD1 3.69Å; K945-L949 WeakPolarHBondContact O-CB 3.45Å; K945-L949 WeakPolarHBondContact O-CG 3.37Å; K945-L949 PolarHBondContact O-N 3.26Å; E946-L949 PolarHBondContact O-N 2.96Å; L949-I951 VanDerWaalsContact C-N 3.28Å; L949-I951 HydrophobicContact CB-CD1 4.45Å; L949-I951 HydrophobicContact CB-CG1 4.19Å; L949-I951 HydrophobicContact CD1-CD1 4.43Å; L949-I951 PolarHBondContact O-N 3.08Å
950	G	94.9	Very high	95.6	Very high	68 Å²	68	66.1 Å²	66.1	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	24.5	-178.6	0	0	0	0	0	114.1	E946 R947 E948	E946-G950 PolarHBondContact O-N 3.37Å; E946-G950 VanDerWaalsContact O-N 3.14Å; R947-G950 PolarHBondContact O-N 3.25Å; E948-G950 PolarHBondContact O-N 3.04Å
951	I	93.8	Very high	95.3	Very high	59 Å²	59	70.3 Å²	70.3	30%	0.303	37%	0.371	S	S	.	.	S	Bend	trans	-94.1	164.9	174.4	58.3	177.4	0	0	0	110.9	T814 E946 L949 I953	T814-I951 HydrophobicContact CG2-CD1 4.14Å; E946-I951 HydrophobicContact CB-CD1 4.26Å; E946-I951 HydrophobicContact CB-CG1 3.85Å; E946-I951 HydrophobicContact CG-CD1 3.93Å; E946-I951 HydrophobicContact CG-CG1 4.08Å; E946-I951 WeakPolarHBondContact O-CG1 3.4Å; E946-I951 PolarHBondContact O-N 3.41Å; E946-I951 VanDerWaalsContact O-N 3.07Å; L949-I951 VanDerWaalsContact C-N 3.28Å; L949-I951 HydrophobicContact CB-CD1 4.45Å; L949-I951 HydrophobicContact CB-CG1 4.19Å; L949-I951 HydrophobicContact CD1-CD1 4.43Å; L949-I951 PolarHBondContact O-N 3.08Å; I951-I953 PolarHBondContact O-N 3.49Å
952	E	94.5	Very high	94.8	Very high	182 Å²	182	68.3 Å²	68.3	85%	0.85	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-63.1	121.2	176.5	-175.3	172.6	-175.2	0	0	109.3	S954	E952-S954 PolarHBondContact O-N 3.15Å
953	I	96.4	Very high	94.6	Very high	49 Å²	49	70.9 Å²	70.9	25%	0.251	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65	128.2	178.6	-56.9	172.8	0	0	0	108.4	E946 R947 I951 C957 D958	E946-I953 HydrophobicContact CB-CG1 4.31Å; E946-I953 WeakPolarHBondContact OE2-CA 3.21Å; R947-I953 HydrophobicContact CB-CD1 3.94Å; R947-I953 HydrophobicContact CB-CG1 4.3Å; R947-I953 HydrophobicContact CG-CD1 4.05Å; I951-I953 PolarHBondContact O-N 3.49Å; I953-C957 HydrophobicContact CG2-CB 4.08Å; I953-D958 HydrophobicContact CD1-CB 4.39Å; I953-D958 HydrophobicContact CG2-CB 3.87Å
954	S	94.1	Very high	94.4	Very high	25 Å²	25	73 Å²	73	18%	0.175	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.8	-179.3	-75.9	0	0	0	0	111.2	Q942 E946 E952 I956 C957	Q942-S954 PolarHBondContact NE2-OG 3.46Å; E946-S954 VanDerWaalsContact OE1-CB 3.31Å; E946-S954 WeakPolarHBondContact OE1-CB 3.23Å; E946-S954 PolarHBondContact OE1-OG 2.8Å; E946-S954 WeakPolarHBondContact OE2-CB 3.29Å; E946-S954 PolarHBondContact OE2-N 3Å; E952-S954 PolarHBondContact O-N 3.15Å; S954-I956 PolarHBondContact O-N 3.05Å; S954-C957 VanDerWaalsContact CB-SG 3.59Å; S954-C957 WeakPolarHBondContact O-CB 3.44Å; S954-C957 PolarHBondContact O-N 2.96Å; S954-C957 VanDerWaalsContact O-N 3.1Å
955	P	90.6	Very high	94.3	Very high	117 Å²	117	73.5 Å²	73.5	76%	0.76	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	144.3	172.3	-26.9	35.1	0	0	0	111.6	C957	P955-C957 PolarHBondContact O-N 3.49Å; P955-C957 PolarHBondContact O-SG 3.44Å; P955-C957 VanDerWaalsContact O-SG 3.32Å
956	I	91.1	Very high	94.1	Very high	81 Å²	81	74.8 Å²	74.8	42%	0.415	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-3.3	-175.5	70	166.8	0	0	0	117.2	L939 S954	L939-I956 HydrophobicContact CD1-CD1 3.7Å; L939-I956 HydrophobicContact CD1-CG1 4.19Å; S954-I956 PolarHBondContact O-N 3.05Å
957	C	94.8	Very high	93.9	Very high	4 Å²	4	75.8 Å²	75.8	3%	0.027	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.7	-178.5	-59.4	0	0	0	0	113.6	L939 F940 G943 I953 S954 P955 R959	L939-C957 VanDerWaalsContact O-CB 3.25Å; L939-C957 WeakPolarHBondContact O-CB 3.41Å; F940-C957 WeakPolarHBondContact CA-O 3.43Å; G943-C957 WeakPolarHBondContact CA-O 3.39Å; I953-C957 HydrophobicContact CG2-CB 4.08Å; S954-C957 VanDerWaalsContact CB-SG 3.59Å; S954-C957 WeakPolarHBondContact O-CB 3.44Å; S954-C957 PolarHBondContact O-N 2.96Å; S954-C957 VanDerWaalsContact O-N 3.1Å; P955-C957 PolarHBondContact O-N 3.49Å; P955-C957 PolarHBondContact O-SG 3.44Å; P955-C957 VanDerWaalsContact O-SG 3.32Å; C957-R959 PolarHBondContact O-N 2.9Å
958	D	95.4	Very high	93.9	Very high	26 Å²	26	71.6 Å²	71.6	14%	0.139	39%	0.391	C	S	.	.			trans	-85.4	108.2	174.7	178.5	42.4	0	0	0	112.3	R947 I953 N960 T961 A962	R947-D958 IonicContact NH2-OD1 3.47Å; R947-D958 PolarHBondContact NH2-OD1 3.24Å; I953-D958 HydrophobicContact CD1-CB 4.39Å; I953-D958 HydrophobicContact CG2-CB 3.87Å; D958-N960 PolarHBondContact O-N 3.01Å; D958-N960 PolarHBondContact OD1-N 2.85Å; D958-N960 PolarHBondContact OD1-ND2 3.34Å; D958-T961 WeakPolarHBondContact CB-OG1 3.35Å; D958-T961 PolarHBondContact O-N 3.04Å; D958-T961 WeakPolarHBondContact OD2-CB 3.42Å; D958-T961 WeakPolarHBondContact OD2-CG2 3.23Å; D958-T961 PolarHBondContact OD2-N 3.4Å; D958-T961 PolarHBondContact OD2-OG1 3.28Å; D958-A962 WeakPolarHBondContact O-CB 3.48Å; D958-A962 PolarHBondContact O-N 3.3Å
959	R	94.3	Very high	93.9	Very high	97 Å²	97	64.3 Å²	64.3	37%	0.366	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-15.7	176.5	60.4	174.7	75.5	-117.5	7.3	115.3	E937 F940 D944 C957	E937-R959 IonicContact OE1-NH2 3.01Å; E937-R959 IonicContact OE2-CZ 3.37Å; E937-R959 IonicContact OE2-NH1 2.67Å; E937-R959 PolarHBondContact OE2-NH1 3.03Å; E937-R959 IonicContact OE2-NH2 3.15Å; F940-R959 HydrophobicContact CB-CB 4.1Å; F940-R959 HydrophobicContact CD1-CB 3.82Å; F940-R959 HydrophobicContact CD2-CB 3.83Å; F940-R959 HydrophobicContact CE1-CB 4.14Å; F940-R959 HydrophobicContact CE2-CB 4.15Å; F940-R959 HydrophobicContact CG-CB 3.65Å; F940-R959 HydrophobicContact CZ-CB 4.29Å; D944-R959 IonicContact OD1-NE 3.8Å; D944-R959 PolarHBondContact OD1-NE 2.94Å; D944-R959 IonicContact OD2-CZ 3.52Å; D944-R959 IonicContact OD2-NE 2.79Å; D944-R959 PolarHBondContact OD2-NE 3.11Å; D944-R959 IonicContact OD2-NH2 3.64Å; D944-R959 PolarHBondContact OD2-NH2 2.78Å; C957-R959 PolarHBondContact O-N 2.9Å
960	N	92.1	Very high	93.8	Very high	122 Å²	122	62.2 Å²	62.2	65%	0.652	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-16.9	179.9	-51.3	-77.4	0	0	0	114.1	D958	D958-N960 PolarHBondContact O-N 3.01Å; D958-N960 PolarHBondContact OD1-N 2.85Å; D958-N960 PolarHBondContact OD1-ND2 3.34Å
961	T	91.5	Very high	93.9	Very high	110 Å²	110	62.3 Å²	62.3	68%	0.675	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-17	-174.4	54.3	0	0	0	0	114	D958 T963	D958-T961 WeakPolarHBondContact CB-OG1 3.35Å; D958-T961 PolarHBondContact O-N 3.04Å; D958-T961 WeakPolarHBondContact OD2-CB 3.42Å; D958-T961 WeakPolarHBondContact OD2-CG2 3.23Å; D958-T961 PolarHBondContact OD2-N 3.4Å; D958-T961 PolarHBondContact OD2-OG1 3.28Å; T961-T963 PolarHBondContact O-N 3.42Å
962	A	89	Confident	94.1	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	32%	0.319	C	S	.	.			trans	-63.8	127.2	176.5	0	0	0	0	0	112.1	M936 F940 D958	M936-A962 HydrophobicContact CE-CB 4.28Å; F940-A962 HydrophobicContact CE1-CB 3.72Å; F940-A962 HydrophobicContact CZ-CB 4.16Å; D958-A962 WeakPolarHBondContact O-CB 3.48Å; D958-A962 PolarHBondContact O-N 3.3Å
963	T	92.6	Very high	94.3	Very high	57 Å²	57	53.8 Å²	53.8	35%	0.35	29%	0.294	S	S	.	.			trans	-99.5	104.9	167.7	-31.5	0	0	0	0	108.4	T961 E965 K966 S967	T961-T963 PolarHBondContact O-N 3.42Å; T963-E965 PolarHBondContact O-N 2.97Å; T963-K966 HydrophobicContact CG2-CB 4.38Å; T963-K966 HydrophobicContact CG2-CD 3.82Å; T963-K966 HydrophobicContact CG2-CG 3.93Å; T963-K966 PolarHBondContact O-N 3.48Å; T963-S967 WeakPolarHBondContact O-CB 3.4Å; T963-S967 PolarHBondContact O-N 2.93Å; T963-S967 PolarHBondContact O-OG 2.86Å
964	I	94.1	Very high	94.2	Very high	45 Å²	45	58.8 Å²	58.8	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-48.3	-170.3	-63.3	176.9	0	0	0	110.5	T932 M936 K966 S967 Q968	T932-I964 HydrophobicContact CG2-CG2 3.65Å; M936-I964 HydrophobicContact CE-CG1 4.3Å; M936-I964 HydrophobicContact CG-CD1 4.3Å; M936-I964 HydrophobicContact CG-CG1 4.11Å; M936-I964 HydrophobicContact CG-CG2 4Å; I964-K966 PolarHBondContact O-N 3.26Å; I964-S967 WeakPolarHBondContact O-CB 3.18Å; I964-S967 PolarHBondContact O-N 2.68Å; I964-S967 VanDerWaalsContact O-N 3.14Å; I964-Q968 HydrophobicContact CG2-CG 4.36Å; I964-Q968 WeakPolarHBondContact O-CG 3.44Å; I964-Q968 PolarHBondContact O-N 3.34Å
965	E	95.3	Very high	94.3	Very high	42 Å²	42	59.3 Å²	59.3	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-42.9	-173.1	-50.7	72.4	-158.8	0	0	111.5	T963 S967 Q968 V969 Y1005 Q1008 I1009	T963-E965 PolarHBondContact O-N 2.97Å; E965-S967 VanDerWaalsContact C-N 3.26Å; E965-S967 PolarHBondContact O-N 3.33Å; E965-Q968 PolarHBondContact O-N 2.71Å; E965-V969 WeakPolarHBondContact O-CG2 3.29Å; E965-V969 PolarHBondContact O-N 3.15Å; E965-Y1005 HydrophobicContact CB-CD1 4.02Å; E965-Y1005 HydrophobicContact CG-CD1 4.08Å; E965-Q1008 HydrophobicContact CG-CB 3.94Å; E965-I1009 HydrophobicContact CB-CD1 4.21Å; E965-I1009 HydrophobicContact CB-CG1 3.5Å; E965-I1009 VanDerWaalsContact CB-CG1 3.5Å
966	K	93.9	Very high	94.7	Very high	96 Å²	96	53.8 Å²	53.8	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-35.6	174.4	-64.5	178.1	-174.9	161.5	0	111.6	T963 I964 S970 I1009	T963-K966 HydrophobicContact CG2-CB 4.38Å; T963-K966 HydrophobicContact CG2-CD 3.82Å; T963-K966 HydrophobicContact CG2-CG 3.93Å; T963-K966 PolarHBondContact O-N 3.48Å; I964-K966 PolarHBondContact O-N 3.26Å; K966-S970 VanDerWaalsContact O-CB 3.29Å; K966-S970 WeakPolarHBondContact O-CB 3.41Å; K966-S970 PolarHBondContact O-N 2.99Å; K966-S970 PolarHBondContact O-OG 2.82Å; K966-I1009 HydrophobicContact CB-CD1 4.42Å; K966-I1009 HydrophobicContact CG-CD1 3.81Å; K966-I1009 HydrophobicContact CG-CG1 4.05Å; K966-I1009 HydrophobicContact CG-CG2 4.29Å
967	S	94.1	Very high	95	Very high	21 Å²	21	52.1 Å²	52.1	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-46.1	177.2	-54.5	0	0	0	0	110.9	T963 I964 E965 S970 F971	T963-S967 WeakPolarHBondContact O-CB 3.4Å; T963-S967 PolarHBondContact O-N 2.93Å; T963-S967 PolarHBondContact O-OG 2.86Å; I964-S967 WeakPolarHBondContact O-CB 3.18Å; I964-S967 PolarHBondContact O-N 2.68Å; I964-S967 VanDerWaalsContact O-N 3.14Å; E965-S967 VanDerWaalsContact C-N 3.26Å; E965-S967 PolarHBondContact O-N 3.33Å; S967-S970 PolarHBondContact O-N 2.67Å; S967-F971 VanDerWaalsContact O-CB 3.29Å; S967-F971 WeakPolarHBondContact O-CB 3.39Å; S967-F971 PolarHBondContact O-N 2.79Å
968	Q	97.2	Very high	95.1	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-46.4	175.7	-65	-43.7	-60.7	0	0	112.3	Y928 T932 I964 E965 S970 F971 I972 Y1005	Y928-Q968 PolarHBondContact OH-OE1 3.01Å; T932-Q968 HydrophobicContact CG2-CG 3.74Å; I964-Q968 HydrophobicContact CG2-CG 4.36Å; I964-Q968 WeakPolarHBondContact O-CG 3.44Å; I964-Q968 PolarHBondContact O-N 3.34Å; E965-Q968 PolarHBondContact O-N 2.71Å; Q968-S970 VanDerWaalsContact C-N 3.34Å; Q968-S970 PolarHBondContact O-N 3.05Å; Q968-F971 PolarHBondContact O-N 3.02Å; Q968-I972 WeakPolarHBondContact O-CG1 3.26Å; Q968-I972 PolarHBondContact O-N 3.4Å; Q968-Y1005 HydrophobicContact CB-CD1 4.05Å; Q968-Y1005 HydrophobicContact CB-CD2 4.21Å; Q968-Y1005 HydrophobicContact CB-CE1 4.25Å; Q968-Y1005 HydrophobicContact CB-CE2 4.43Å; Q968-Y1005 HydrophobicContact CB-CG 4.01Å; Q968-Y1005 HydrophobicContact CG-CD1 4.18Å; Q968-Y1005 HydrophobicContact CG-CE1 3.87Å; Q968-Y1005 HydrophobicContact CG-CE2 4.32Å
969	V	97.1	Very high	95.3	Very high	10 Å²	10	52 Å²	52	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-44	176.2	172.5	0	0	0	0	111.3	E965 I972 D973 I1009	E965-V969 WeakPolarHBondContact O-CG2 3.29Å; E965-V969 PolarHBondContact O-N 3.15Å; V969-I972 PolarHBondContact O-N 2.96Å; V969-D973 WeakPolarHBondContact O-CB 3.44Å; V969-D973 VanDerWaalsContact O-CG 3.32Å; V969-D973 PolarHBondContact O-N 2.96Å; V969-I1009 HydrophobicContact CB-CD1 4.49Å; V969-I1009 HydrophobicContact CG2-CD1 3.96Å
970	S	94	Very high	95.5	Very high	56 Å²	56	47.4 Å²	47.4	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-40.6	178.3	-58.1	0	0	0	0	112.1	K966 S967 Q968 D973 Y974	K966-S970 VanDerWaalsContact O-CB 3.29Å; K966-S970 WeakPolarHBondContact O-CB 3.41Å; K966-S970 PolarHBondContact O-N 2.99Å; K966-S970 PolarHBondContact O-OG 2.82Å; S967-S970 PolarHBondContact O-N 2.67Å; Q968-S970 VanDerWaalsContact C-N 3.34Å; Q968-S970 PolarHBondContact O-N 3.05Å; S970-D973 PolarHBondContact O-N 3.16Å; S970-Y974 WeakPolarHBondContact O-CB 3.42Å; S970-Y974 WeakPolarHBondContact O-CD2 3.27Å; S970-Y974 PolarHBondContact O-N 3.01Å
971	F	96.8	Very high	95.7	Very high	71 Å²	71	45.5 Å²	45.5	31%	0.311	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-42.5	177	-178.4	-124.1	0	0	0	111.6	L918 P921 S967 Q968 I975 V976	L918-F971 HydrophobicContact CD2-CE2 4.5Å; L918-F971 HydrophobicContact CD2-CZ 3.84Å; P921-F971 HydrophobicContact CG-CD1 4.32Å; P921-F971 HydrophobicContact CG-CE1 4.16Å; S967-F971 VanDerWaalsContact O-CB 3.29Å; S967-F971 WeakPolarHBondContact O-CB 3.39Å; S967-F971 PolarHBondContact O-N 2.79Å; Q968-F971 PolarHBondContact O-N 3.02Å; F971-I975 HydrophobicContact CD2-CB 3.99Å; F971-I975 HydrophobicContact CD2-CG1 4.07Å; F971-I975 HydrophobicContact CD2-CG2 4.33Å; F971-I975 HydrophobicContact CE2-CB 4.08Å; F971-I975 HydrophobicContact CE2-CG1 4.36Å; F971-I975 HydrophobicContact CE2-CG2 3.9Å; F971-I975 WeakPolarHBondContact O-CA 3.41Å; F971-I975 WeakPolarHBondContact O-CB 3.43Å; F971-I975 PolarHBondContact O-N 3.44Å; F971-V976 HydrophobicContact CD1-CG2 3.7Å; F971-V976 HydrophobicContact CD2-CG2 4.35Å; F971-V976 HydrophobicContact CE1-CG2 3.42Å; F971-V976 VanDerWaalsContact CE1-CG2 3.42Å; F971-V976 HydrophobicContact CE2-CG2 4.11Å; F971-V976 HydrophobicContact CG-CG2 4.17Å; F971-V976 HydrophobicContact CZ-CG2 3.65Å; F971-V976 PolarHBondContact O-N 3.36Å; F971-V976 VanDerWaalsContact O-N 3.09Å
972	I	98.1	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-63.9	-54.4	174.1	-62.3	169.9	0	0	0	110.9	P921 Y928 Q968 V969 Y974 V976 H977 L998 R1002	P921-I972 HydrophobicContact CB-CD1 4Å; P921-I972 HydrophobicContact CB-CG1 3.86Å; P921-I972 HydrophobicContact CG-CG1 4.45Å; Y928-I972 HydrophobicContact CE1-CD1 4.26Å; Q968-I972 WeakPolarHBondContact O-CG1 3.26Å; Q968-I972 PolarHBondContact O-N 3.4Å; V969-I972 PolarHBondContact O-N 2.96Å; I972-Y974 VanDerWaalsContact C-N 3.3Å; I972-Y974 PolarHBondContact O-N 3.05Å; I972-V976 PolarHBondContact O-N 3.45Å; I972-H977 HydrophobicContact CG2-CB 3.88Å; I972-H977 VanDerWaalsContact O-CB 3.23Å; I972-H977 WeakPolarHBondContact O-CB 3.44Å; I972-H977 PolarHBondContact O-N 2.76Å; I972-L998 HydrophobicContact CD1-CD1 4.21Å; I972-L998 HydrophobicContact CG1-CD1 4.1Å; I972-L998 HydrophobicContact CG2-CD1 3.79Å; I972-L998 HydrophobicContact CG2-CG 4.08Å; I972-R1002 HydrophobicContact CB-CB 4.47Å; I972-R1002 HydrophobicContact CB-CG 4.09Å; I972-R1002 HydrophobicContact CD1-CB 3.73Å; I972-R1002 HydrophobicContact CD1-CG 4.1Å; I972-R1002 HydrophobicContact CG2-CB 3.96Å; I972-R1002 HydrophobicContact CG2-CG 3.78Å
973	D	97.2	Very high	96.3	Very high	61 Å²	61	39.3 Å²	39.3	33%	0.326	20%	0.195	S	C	.	.	I	π-helix	trans	-61.9	-33	-173.3	-74.2	-4.6	0	0	0	113.3	V969 S970 R1002	V969-D973 WeakPolarHBondContact O-CB 3.44Å; V969-D973 VanDerWaalsContact O-CG 3.32Å; V969-D973 PolarHBondContact O-N 2.96Å; S970-D973 PolarHBondContact O-N 3.16Å; D973-R1002 IonicContact OD1-CZ 2.62Å; D973-R1002 IonicContact OD1-NE 2.73Å; D973-R1002 PolarHBondContact OD1-NE 3.33Å; D973-R1002 IonicContact OD1-NH2 2.62Å; D973-R1002 PolarHBondContact OD1-NH2 2.96Å; D973-R1002 IonicContact OD2-CZ 2.6Å; D973-R1002 IonicContact OD2-NE 3.9Å; D973-R1002 IonicContact OD2-NH2 3.7Å; D973-R1002 PolarHBondContact OD2-NH2 2.89Å
974	Y	94.6	Very high	96.4	Very high	154 Å²	154	36.8 Å²	36.8	60%	0.604	18%	0.18	S	C	*	.	I	π-helix	trans	-104.7	-23.6	-174.1	-64.2	-60.4	0	0	0	115.9	S970 I972	S970-Y974 WeakPolarHBondContact O-CB 3.42Å; S970-Y974 WeakPolarHBondContact O-CD2 3.27Å; S970-Y974 PolarHBondContact O-N 3.01Å; I972-Y974 VanDerWaalsContact C-N 3.3Å; I972-Y974 PolarHBondContact O-N 3.05Å
975	I	96.7	Very high	96.4	Very high	37 Å²	37	37.9 Å²	37.9	19%	0.19	19%	0.186	C	C	.	.	I	π-helix	trans	-121.9	-60.9	-173.8	-55.7	-62.6	0	0	0	111	M872 H875 M876 L918 F971 L979	M872-I975 HydrophobicContact CE-CG2 3.78Å; H875-I975 VanDerWaalsContact CE1-CG2 3.48Å; H875-I975 WeakPolarHBondContact CE1-CG2 3.46Å; H875-I975 PolarHBondContact CE1-O 2.87Å; M876-I975 HydrophobicContact CE-CD1 3.9Å; L918-I975 HydrophobicContact CD1-CG2 4.23Å; F971-I975 HydrophobicContact CD2-CB 3.99Å; F971-I975 HydrophobicContact CD2-CG1 4.07Å; F971-I975 HydrophobicContact CD2-CG2 4.33Å; F971-I975 HydrophobicContact CE2-CB 4.08Å; F971-I975 HydrophobicContact CE2-CG1 4.36Å; F971-I975 HydrophobicContact CE2-CG2 3.9Å; F971-I975 WeakPolarHBondContact O-CA 3.41Å; F971-I975 WeakPolarHBondContact O-CB 3.43Å; F971-I975 PolarHBondContact O-N 3.44Å; I975-L979 PolarHBondContact O-N 3.33Å
976	V	98.2	Very high	96.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-77.8	-46.9	-165.8	-176.1	0	0	0	0	112	P921 F971 I972 L979 W980 L998	P921-V976 HydrophobicContact CB-CG1 4.21Å; P921-V976 HydrophobicContact CG-CG1 4.15Å; P921-V976 HydrophobicContact CG-CG2 4.25Å; F971-V976 HydrophobicContact CD1-CG2 3.7Å; F971-V976 HydrophobicContact CD2-CG2 4.35Å; F971-V976 HydrophobicContact CE1-CG2 3.42Å; F971-V976 VanDerWaalsContact CE1-CG2 3.42Å; F971-V976 HydrophobicContact CE2-CG2 4.11Å; F971-V976 HydrophobicContact CG-CG2 4.17Å; F971-V976 HydrophobicContact CZ-CG2 3.65Å; F971-V976 PolarHBondContact O-N 3.36Å; F971-V976 VanDerWaalsContact O-N 3.09Å; I972-V976 PolarHBondContact O-N 3.45Å; V976-L979 PolarHBondContact O-N 2.81Å; V976-W980 VanDerWaalsContact CG1-CD1 3.48Å; V976-W980 PolarHBondContact O-N 3.44Å; V976-L998 HydrophobicContact CG1-CD1 3.99Å; V976-L998 HydrophobicContact CG1-CD2 4.15Å
977	H	98	Very high	96.2	Very high	47 Å²	47	31.3 Å²	31.3	22%	0.218	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-43.5	177.7	-176.1	-43.8	0	0	0	112.8	I972 L979 W980 E981 L998 E999	I972-H977 HydrophobicContact CG2-CB 3.88Å; I972-H977 VanDerWaalsContact O-CB 3.23Å; I972-H977 WeakPolarHBondContact O-CB 3.44Å; I972-H977 PolarHBondContact O-N 2.76Å; H977-L979 PolarHBondContact O-N 3.03Å; H977-W980 PolarHBondContact O-N 2.99Å; H977-E981 WeakPolarHBondContact O-CB 3.48Å; H977-E981 PolarHBondContact O-N 3.18Å; H977-L998 HydrophobicContact CB-CD2 4.1Å; H977-E999 IonicContact NE2-OE1 3.33Å
978	P	98	Very high	96	Very high	26 Å²	26	37.8 Å²	37.8	17%	0.169	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-32.4	174.9	-28.3	37.2	0	0	0	114.1	L879 T982	L879-P978 WeakPolarHBondContact CD1-O 3.3Å; L879-P978 HydrophobicContact CD2-CB 4.02Å; P978-T982 PolarHBondContact O-N 3.36Å; P978-T982 PolarHBondContact O-OG1 3.4Å
979	L	98	Very high	95.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-72	-56	175	178	61.6	0	0	0	111.3	L879 L882 L918 I975 V976 H977 E981 T982 W983	L879-L979 HydrophobicContact CD1-CD1 4.36Å; L882-L979 HydrophobicContact CD2-CD1 4.06Å; L918-L979 HydrophobicContact CB-CD2 4.23Å; L918-L979 HydrophobicContact CD1-CD2 3.68Å; I975-L979 PolarHBondContact O-N 3.33Å; V976-L979 PolarHBondContact O-N 2.81Å; H977-L979 PolarHBondContact O-N 3.03Å; L979-E981 PolarHBondContact O-N 3.19Å; L979-T982 WeakPolarHBondContact O-CB 3.38Å; L979-T982 PolarHBondContact O-N 3.26Å; L979-T982 VanDerWaalsContact O-N 3.07Å; L979-W983 PolarHBondContact O-N 3.23Å
980	W	98.2	Very high	95.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-32.7	-178.7	-79.8	100.6	0	0	0	113.9	W703 L774 C915 L918 V976 H977 T982 W983 S984 I994 L995 L998	W703-W980 AromaticContact CH2-CH2 3.49Å; W703-W980 HydrophobicContact CH2-CH2 3.49Å; W703-W980 VanDerWaalsContact CH2-CH2 3.49Å; W703-W980 AromaticContact CH2-CZ2 3.83Å; W703-W980 HydrophobicContact CH2-CZ2 3.83Å; W703-W980 AromaticContact CZ2-CH2 3.74Å; W703-W980 HydrophobicContact CZ2-CH2 3.74Å; W703-W980 AromaticContact CZ2-CZ2 3.9Å; W703-W980 HydrophobicContact CZ2-CZ2 3.9Å; W703-W980 HydrophobicContact CZ3-CH2 4.35Å; L774-W980 HydrophobicContact CD1-CH2 4.18Å; L774-W980 HydrophobicContact CD2-CH2 3.98Å; L774-W980 HydrophobicContact CD2-CZ3 4.04Å; C915-W980 HydrophobicContact CB-CH2 4.18Å; C915-W980 HydrophobicContact CB-CZ2 4.03Å; C915-W980 WeakPolarHBondContact O-CZ2 3.38Å; L918-W980 PolarHBondContact O-NE1 2.95Å; V976-W980 VanDerWaalsContact CG1-CD1 3.48Å; V976-W980 PolarHBondContact O-N 3.44Å; H977-W980 PolarHBondContact O-N 2.99Å; W980-T982 VanDerWaalsContact C-N 3.31Å; W980-T982 PolarHBondContact O-N 2.93Å; W980-W983 AromaticContact CE3-CD1 3.93Å; W980-W983 HydrophobicContact CE3-CG 4.45Å; W980-W983 AromaticContact CZ3-CD1 3.75Å; W980-W983 PolarHBondContact O-N 3.11Å; W980-S984 VanDerWaalsContact O-CB 3.25Å; W980-S984 WeakPolarHBondContact O-CB 3.48Å; W980-S984 PolarHBondContact O-N 2.93Å; W980-I994 HydrophobicContact CD2-CG2 4.17Å; W980-I994 HydrophobicContact CE3-CB 4.48Å; W980-I994 HydrophobicContact CE3-CG2 3.71Å; W980-I994 HydrophobicContact CH2-CD1 4.3Å; W980-I994 HydrophobicContact CH2-CG2 3.86Å; W980-I994 HydrophobicContact CZ2-CG2 4.29Å; W980-I994 HydrophobicContact CZ3-CB 4.29Å; W980-I994 HydrophobicContact CZ3-CD1 3.95Å; W980-I994 HydrophobicContact CZ3-CG2 3.56Å; W980-L995 HydrophobicContact CB-CD1 4.34Å; W980-L998 HydrophobicContact CB-CD2 3.85Å; W980-L998 HydrophobicContact CG-CD2 4.21Å
981	E	97.5	Very high	95.5	Very high	82 Å²	82	40.4 Å²	40.4	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-56.4	-48.8	168.5	-177	-165	-171.2	0	0	109.3	H977 L979 S984 D985	H977-E981 WeakPolarHBondContact O-CB 3.48Å; H977-E981 PolarHBondContact O-N 3.18Å; L979-E981 PolarHBondContact O-N 3.19Å; E981-S984 PolarHBondContact O-N 3.39Å; E981-D985 WeakPolarHBondContact O-CB 3.33Å; E981-D985 PolarHBondContact O-N 3.14Å
982	T	96.2	Very high	95.4	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-70.3	-39.1	-177.5	-50.9	0	0	0	0	111.9	L879 L882 K883 V886 P978 L979 W980 D985 L986	L879-T982 HydrophobicContact CD1-CG2 4.4Å; L882-T982 HydrophobicContact CB-CG2 4.16Å; L882-T982 HydrophobicContact CD2-CG2 3.72Å; L882-T982 HydrophobicContact CG-CG2 3.67Å; K883-T982 HydrophobicContact CB-CG2 4.36Å; K883-T982 WeakPolarHBondContact CE-OG1 3.35Å; K883-T982 HydrophobicContact CG-CG2 3.51Å; V886-T982 HydrophobicContact CG2-CG2 3.99Å; V886-T982 WeakPolarHBondContact CG2-O 3.44Å; P978-T982 PolarHBondContact O-N 3.36Å; P978-T982 PolarHBondContact O-OG1 3.4Å; L979-T982 WeakPolarHBondContact O-CB 3.38Å; L979-T982 PolarHBondContact O-N 3.26Å; L979-T982 VanDerWaalsContact O-N 3.07Å; W980-T982 VanDerWaalsContact C-N 3.31Å; W980-T982 PolarHBondContact O-N 2.93Å; T982-D985 WeakPolarHBondContact O-CB 3.38Å; T982-D985 PolarHBondContact O-N 3.49Å; T982-L986 PolarHBondContact O-N 2.79Å
983	W	96.5	Very high	95.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-47.1	174.6	-178.1	-95.1	0	0	0	111.3	L774 L780 L882 I908 N911 M912 L979 W980 D985 L986 V987	L774-W983 HydrophobicContact CB-CZ2 4.35Å; L774-W983 HydrophobicContact CD1-CZ2 4.44Å; L774-W983 HydrophobicContact CD2-CZ2 4.46Å; L780-W983 HydrophobicContact CD1-CH2 4.21Å; L780-W983 HydrophobicContact CD1-CZ2 4.1Å; L882-W983 HydrophobicContact CD1-CE3 4.36Å; I908-W983 HydrophobicContact CG2-CH2 3.83Å; I908-W983 HydrophobicContact CG2-CZ3 3.91Å; N911-W983 HydrophobicContact CB-CE3 4.47Å; N911-W983 HydrophobicContact CB-CZ3 4.31Å; M912-W983 HydrophobicContact CB-CH2 3.63Å; M912-W983 HydrophobicContact CB-CZ2 4.44Å; M912-W983 HydrophobicContact CB-CZ3 4.03Å; M912-W983 HydrophobicContact CE-CH2 3.77Å; M912-W983 HydrophobicContact CE-CZ2 4.14Å; M912-W983 HydrophobicContact CG-CH2 3.86Å; M912-W983 HydrophobicContact CG-CZ2 4.22Å; L979-W983 PolarHBondContact O-N 3.23Å; W980-W983 AromaticContact CE3-CD1 3.93Å; W980-W983 HydrophobicContact CE3-CG 4.45Å; W980-W983 AromaticContact CZ3-CD1 3.75Å; W980-W983 PolarHBondContact O-N 3.11Å; W983-D985 VanDerWaalsContact C-N 3.28Å; W983-D985 PolarHBondContact O-N 3.44Å; W983-L986 HydrophobicContact CE3-CD2 4.43Å; W983-L986 HydrophobicContact CZ3-CD2 4.37Å; W983-L986 WeakPolarHBondContact O-CA 3.39Å; W983-L986 VanDerWaalsContact O-CB 3.28Å; W983-L986 WeakPolarHBondContact O-CB 3.23Å; W983-L986 PolarHBondContact O-N 2.91Å; W983-V987 HydrophobicContact CZ2-CG1 4.03Å; W983-V987 WeakPolarHBondContact O-CG2 3.4Å; W983-V987 PolarHBondContact O-N 3.39Å
984	S	95.3	Very high	95.3	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-38.9	174	-173.1	0	0	0	0	111.8	W980 E981 L986 V987 Y988	W980-S984 VanDerWaalsContact O-CB 3.25Å; W980-S984 WeakPolarHBondContact O-CB 3.48Å; W980-S984 PolarHBondContact O-N 2.93Å; E981-S984 PolarHBondContact O-N 3.39Å; S984-L986 PolarHBondContact O-N 3.38Å; S984-V987 PolarHBondContact O-N 3.46Å; S984-Y988 VanDerWaalsContact O-CA 3.29Å; S984-Y988 WeakPolarHBondContact O-CA 3.34Å; S984-Y988 VanDerWaalsContact O-CB 3.32Å; S984-Y988 WeakPolarHBondContact O-CB 3.47Å; S984-Y988 PolarHBondContact O-N 2.75Å
985	D	93.4	Very high	95.4	Very high	67 Å²	67	35.2 Å²	35.2	36%	0.358	18%	0.18	S	C	.	.	H	α-helix	trans	-62.1	-27	172.9	-129.7	7	0	0	0	113.4	V886 K890 E981 T982 W983	V886-D985 HydrophobicContact CG1-CB 3.89Å; V886-D985 HydrophobicContact CG2-CB 4.32Å; K890-D985 IonicContact NZ-OD1 3.18Å; K890-D985 PolarHBondContact NZ-OD1 2.9Å; K890-D985 IonicContact NZ-OD2 2.69Å; K890-D985 PolarHBondContact NZ-OD2 3.08Å; E981-D985 WeakPolarHBondContact O-CB 3.33Å; E981-D985 PolarHBondContact O-N 3.14Å; T982-D985 WeakPolarHBondContact O-CB 3.38Å; T982-D985 PolarHBondContact O-N 3.49Å; W983-D985 VanDerWaalsContact C-N 3.28Å; W983-D985 PolarHBondContact O-N 3.44Å
986	L	91.7	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-81.5	-46.7	176.2	-175.9	68.3	0	0	0	111.9	L882 M885 V886 K889 L897 I908 T982 W983 S984	L882-L986 HydrophobicContact CD1-CD2 3.7Å; M885-L986 HydrophobicContact CG-CD1 4.38Å; M885-L986 HydrophobicContact SD-CD1 4.36Å; V886-L986 HydrophobicContact CG2-CB 3.72Å; V886-L986 HydrophobicContact CG2-CD1 4.03Å; V886-L986 HydrophobicContact CG2-CG 4.46Å; K889-L986 HydrophobicContact CD-CD1 4.41Å; K889-L986 PolarHBondContact NZ-O 3.07Å; L897-L986 HydrophobicContact CD1-CD1 3.81Å; L897-L986 HydrophobicContact CD1-CD2 4.46Å; L897-L986 HydrophobicContact CD1-CG 3.92Å; L897-L986 HydrophobicContact CD2-CD1 3.89Å; L897-L986 HydrophobicContact CG-CD1 4.45Å; I908-L986 HydrophobicContact CD1-CD2 4.08Å; I908-L986 HydrophobicContact CG1-CD2 4.31Å; T982-L986 PolarHBondContact O-N 2.79Å; W983-L986 HydrophobicContact CE3-CD2 4.43Å; W983-L986 HydrophobicContact CZ3-CD2 4.37Å; W983-L986 WeakPolarHBondContact O-CA 3.39Å; W983-L986 VanDerWaalsContact O-CB 3.28Å; W983-L986 WeakPolarHBondContact O-CB 3.23Å; W983-L986 PolarHBondContact O-N 2.91Å; S984-L986 PolarHBondContact O-N 3.38Å
987	V	92.5	Very high	95.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-100.7	12.7	-173.8	-54.9	0	0	0	0	114.4	A777 S779 L780 W983 S984 D990 A991	A777-V987 HydrophobicContact CB-CB 4.31Å; A777-V987 HydrophobicContact CB-CG1 4.46Å; S779-V987 WeakPolarHBondContact OG-CA 3.38Å; S779-V987 WeakPolarHBondContact OG-CB 3.49Å; S779-V987 PolarHBondContact OG-O 3.11Å; L780-V987 HydrophobicContact CD1-CG1 4.03Å; L780-V987 HydrophobicContact CG-CG1 4.15Å; W983-V987 HydrophobicContact CZ2-CG1 4.03Å; W983-V987 WeakPolarHBondContact O-CG2 3.4Å; W983-V987 PolarHBondContact O-N 3.39Å; S984-V987 PolarHBondContact O-N 3.46Å; V987-D990 HydrophobicContact CB-CB 4.4Å; V987-D990 HydrophobicContact CG2-CB 4.24Å; V987-D990 WeakPolarHBondContact O-CB 3.17Å; V987-D990 PolarHBondContact O-N 3.41Å; V987-D990 VanDerWaalsContact O-OD2 3.05Å; V987-A991 HydrophobicContact CG2-CB 3.58Å
988	Y	90.2	Very high	95.5	Very high	157 Å²	157	37.2 Å²	37.2	62%	0.616	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	128.9	-176	-176.9	-92.1	0	0	0	112.8	S984	S984-Y988 VanDerWaalsContact O-CA 3.29Å; S984-Y988 WeakPolarHBondContact O-CA 3.34Å; S984-Y988 VanDerWaalsContact O-CB 3.32Å; S984-Y988 WeakPolarHBondContact O-CB 3.47Å; S984-Y988 PolarHBondContact O-N 2.75Å
989	P	91.6	Very high	95.5	Very high	75 Å²	75	40.7 Å²	40.7	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	3	9.8	38.2	-36.3	0	0	0	115.7	A991 Q992	P989-A991 VanDerWaalsContact C-N 3.32Å; P989-A991 PolarHBondContact O-N 2.73Å; P989-A991 VanDerWaalsContact O-N 3.14Å; P989-Q992 VanDerWaalsContact O-CB 3.27Å; P989-Q992 WeakPolarHBondContact O-CB 3.21Å; P989-Q992 PolarHBondContact O-N 2.96Å
990	D	91.7	Very high	95.5	Very high	57 Å²	57	46 Å²	46	31%	0.305	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.1	-160.6	-60.4	-50.3	0	0	0	114.4	A777 Q778 S779 V987	A777-D990 HydrophobicContact CB-CB 3.8Å; A777-D990 WeakPolarHBondContact CB-OD2 3.4Å; Q778-D990 PolarHBondContact N-OD1 2.96Å; Q778-D990 PolarHBondContact N-OD2 3.45Å; S779-D990 PolarHBondContact N-OD2 2.91Å; S779-D990 VanDerWaalsContact N-OD2 3.11Å; S779-D990 PolarHBondContact OG-OD2 2.93Å; V987-D990 HydrophobicContact CB-CB 4.4Å; V987-D990 HydrophobicContact CG2-CB 4.24Å; V987-D990 WeakPolarHBondContact O-CB 3.17Å; V987-D990 PolarHBondContact O-N 3.41Å; V987-D990 VanDerWaalsContact O-OD2 3.05Å
991	A	94.5	Very high	95.5	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.8	-178.3	0	0	0	0	0	114.6	V987 P989 T993 I994 L995	V987-A991 HydrophobicContact CG2-CB 3.58Å; P989-A991 VanDerWaalsContact C-N 3.32Å; P989-A991 PolarHBondContact O-N 2.73Å; P989-A991 VanDerWaalsContact O-N 3.14Å; A991-T993 PolarHBondContact O-N 2.99Å; A991-I994 HydrophobicContact CB-CD1 4.24Å; A991-I994 PolarHBondContact O-N 3.32Å; A991-L995 PolarHBondContact O-N 3.35Å; A991-L995 VanDerWaalsContact O-N 3.14Å
992	Q	94.8	Very high	95.5	Very high	65 Å²	65	45.3 Å²	45.3	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-41.4	-178.5	179.2	59	35.7	0	0	112.5	P989 I994 L995 E996	P989-Q992 VanDerWaalsContact O-CB 3.27Å; P989-Q992 WeakPolarHBondContact O-CB 3.21Å; P989-Q992 PolarHBondContact O-N 2.96Å; Q992-I994 VanDerWaalsContact C-N 3.31Å; Q992-I994 PolarHBondContact O-N 3.36Å; Q992-L995 PolarHBondContact O-N 2.86Å; Q992-E996 WeakPolarHBondContact CG-OE1 3.49Å; Q992-E996 PolarHBondContact NE2-OE1 3.44Å; Q992-E996 WeakPolarHBondContact O-CG 3.48Å; Q992-E996 PolarHBondContact O-N 3.48Å
993	T	95.9	Very high	95.6	Very high	88 Å²	88	50.5 Å²	50.5	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-67.7	-30.8	178.1	50.8	0	0	0	0	112.9	A991 T997	A991-T993 PolarHBondContact O-N 2.99Å; T993-T997 WeakPolarHBondContact O-CB 3.49Å; T993-T997 PolarHBondContact O-N 3.46Å; T993-T997 PolarHBondContact O-OG1 3.33Å
994	I	97.7	Very high	95.7	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.046	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-42.2	174.7	-56.3	177	0	0	0	109.6	W703 L774 A922 W980 A991 Q992 T997 L998	W703-I994 HydrophobicContact CD2-CD1 3.78Å; W703-I994 HydrophobicContact CD2-CG1 4.09Å; W703-I994 HydrophobicContact CE3-CD1 4.01Å; W703-I994 HydrophobicContact CG-CD1 4.17Å; W703-I994 HydrophobicContact CG-CG1 4.05Å; W703-I994 HydrophobicContact CH2-CD1 4.48Å; W703-I994 HydrophobicContact CZ2-CD1 4.26Å; W703-I994 HydrophobicContact CZ2-CG2 3.89Å; W703-I994 HydrophobicContact CZ3-CD1 4.36Å; L774-I994 HydrophobicContact CD2-CD1 4.26Å; A922-I994 HydrophobicContact CB-CG2 3.5Å; W980-I994 HydrophobicContact CD2-CG2 4.17Å; W980-I994 HydrophobicContact CE3-CB 4.48Å; W980-I994 HydrophobicContact CE3-CG2 3.71Å; W980-I994 HydrophobicContact CH2-CD1 4.3Å; W980-I994 HydrophobicContact CH2-CG2 3.86Å; W980-I994 HydrophobicContact CZ2-CG2 4.29Å; W980-I994 HydrophobicContact CZ3-CB 4.29Å; W980-I994 HydrophobicContact CZ3-CD1 3.95Å; W980-I994 HydrophobicContact CZ3-CG2 3.56Å; A991-I994 HydrophobicContact CB-CD1 4.24Å; A991-I994 PolarHBondContact O-N 3.32Å; Q992-I994 VanDerWaalsContact C-N 3.31Å; Q992-I994 PolarHBondContact O-N 3.36Å; I994-T997 PolarHBondContact O-N 2.83Å; I994-L998 WeakPolarHBondContact O-CB 3.44Å; I994-L998 PolarHBondContact O-N 3.48Å
995	L	96.9	Very high	95.8	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-39.8	176.1	-172.7	62.9	0	0	0	112.2	W980 A991 Q992 L998 E999	W980-L995 HydrophobicContact CB-CD1 4.34Å; A991-L995 PolarHBondContact O-N 3.35Å; A991-L995 VanDerWaalsContact O-N 3.14Å; Q992-L995 PolarHBondContact O-N 2.86Å; L995-L998 HydrophobicContact CD1-CD2 4.3Å; L995-L998 WeakPolarHBondContact O-CB 3.45Å; L995-L998 PolarHBondContact O-N 2.83Å; L995-E999 PolarHBondContact O-N 3.43Å
996	E	97.8	Very high	95.9	Very high	87 Å²	87	55.8 Å²	55.8	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-45.3	173.5	-73.4	163.9	-175.1	0	0	111.4	Q992 L998 E999 D1000	Q992-E996 WeakPolarHBondContact CG-OE1 3.49Å; Q992-E996 PolarHBondContact NE2-OE1 3.44Å; Q992-E996 WeakPolarHBondContact O-CG 3.48Å; Q992-E996 PolarHBondContact O-N 3.48Å; E996-L998 VanDerWaalsContact C-N 3.28Å; E996-L998 PolarHBondContact O-N 3.42Å; E996-E999 PolarHBondContact O-N 2.79Å; E996-D1000 PolarHBondContact O-N 3.33Å
997	T	98.2	Very high	96	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.239	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-37.4	175.2	-53.9	0	0	0	0	112	K923 T993 I994 N1001	K923-T997 WeakPolarHBondContact O-CG2 3.48Å; T993-T997 WeakPolarHBondContact O-CB 3.49Å; T993-T997 PolarHBondContact O-N 3.46Å; T993-T997 PolarHBondContact O-OG1 3.33Å; I994-T997 PolarHBondContact O-N 2.83Å; T997-N1001 VanDerWaalsContact O-CB 3.3Å; T997-N1001 WeakPolarHBondContact O-CB 3.48Å; T997-N1001 PolarHBondContact O-N 2.76Å; T997-N1001 PolarHBondContact O-ND2 3.29Å
998	L	98.5	Very high	96	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-41.2	175.7	-179.9	62.8	0	0	0	112.4	P921 A922 I972 V976 H977 W980 I994 L995 E996 R1002	P921-L998 HydrophobicContact CB-CD1 3.55Å; P921-L998 WeakPolarHBondContact O-CD1 3.33Å; A922-L998 HydrophobicContact CB-CB 3.96Å; A922-L998 HydrophobicContact CB-CD1 4.34Å; I972-L998 HydrophobicContact CD1-CD1 4.21Å; I972-L998 HydrophobicContact CG1-CD1 4.1Å; I972-L998 HydrophobicContact CG2-CD1 3.79Å; I972-L998 HydrophobicContact CG2-CG 4.08Å; V976-L998 HydrophobicContact CG1-CD1 3.99Å; V976-L998 HydrophobicContact CG1-CD2 4.15Å; H977-L998 HydrophobicContact CB-CD2 4.1Å; W980-L998 HydrophobicContact CB-CD2 3.85Å; W980-L998 HydrophobicContact CG-CD2 4.21Å; I994-L998 WeakPolarHBondContact O-CB 3.44Å; I994-L998 PolarHBondContact O-N 3.48Å; L995-L998 HydrophobicContact CD1-CD2 4.3Å; L995-L998 WeakPolarHBondContact O-CB 3.45Å; L995-L998 PolarHBondContact O-N 2.83Å; E996-L998 VanDerWaalsContact C-N 3.28Å; E996-L998 PolarHBondContact O-N 3.42Å; L998-R1002 VanDerWaalsContact O-CB 3.23Å; L998-R1002 WeakPolarHBondContact O-CB 3.29Å; L998-R1002 PolarHBondContact O-N 3.13Å
999	E	98.1	Very high	96	Very high	99 Å²	99	54.6 Å²	54.6	46%	0.463	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-47.3	175.2	-72.7	-178.7	-169.9	0	0	111	H977 L995 E996 R1002 E1003	H977-E999 IonicContact NE2-OE1 3.33Å; L995-E999 PolarHBondContact O-N 3.43Å; E996-E999 PolarHBondContact O-N 2.79Å; E999-R1002 WeakPolarHBondContact O-CB 3.47Å; E999-R1002 PolarHBondContact O-N 3.38Å; E999-E1003 PolarHBondContact O-N 3.34Å
1000	D	98.4	Very high	95.6	Very high	112 Å²	112	53.7 Å²	53.7	60%	0.599	26%	0.261	S	S	*	.	H	α-helix	trans	-59.6	-47.8	177.4	-74.2	-18.2	0	0	0	112	E996 R1002 E1003 W1004	E996-D1000 PolarHBondContact O-N 3.33Å; D1000-R1002 VanDerWaalsContact C-N 3.31Å; D1000-R1002 PolarHBondContact O-N 3.47Å; D1000-E1003 PolarHBondContact O-N 3.26Å; D1000-W1004 PolarHBondContact O-N 3.1Å
1001	N	98.5	Very high	95	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-36.7	177.4	-78.2	-19.2	0	0	0	112.4	P921 K923 L925 Y928 T997 W1004 Y1005	P921-N1001 PolarHBondContact O-ND2 3.18Å; K923-N1001 PolarHBondContact O-ND2 3.38Å; L925-N1001 WeakPolarHBondContact CB-OD1 3.43Å; L925-N1001 WeakPolarHBondContact CD1-OD1 3.44Å; Y928-N1001 HydrophobicContact CD1-CB 3.82Å; Y928-N1001 HydrophobicContact CE1-CB 3.96Å; T997-N1001 VanDerWaalsContact O-CB 3.3Å; T997-N1001 WeakPolarHBondContact O-CB 3.48Å; T997-N1001 PolarHBondContact O-N 2.76Å; T997-N1001 PolarHBondContact O-ND2 3.29Å; N1001-W1004 PolarHBondContact O-N 3.35Å; N1001-Y1005 PolarHBondContact O-N 2.91Å; N1001-Y1005 VanDerWaalsContact O-N 3.11Å
1002	R	98.1	Very high	94	Very high	62 Å²	62	59 Å²	59	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-39.2	176.4	-174.7	-93.3	178	-130.1	-2.4	111.6	I972 D973 L998 E999 D1000 Y1006	I972-R1002 HydrophobicContact CB-CB 4.47Å; I972-R1002 HydrophobicContact CB-CG 4.09Å; I972-R1002 HydrophobicContact CD1-CB 3.73Å; I972-R1002 HydrophobicContact CD1-CG 4.1Å; I972-R1002 HydrophobicContact CG2-CB 3.96Å; I972-R1002 HydrophobicContact CG2-CG 3.78Å; D973-R1002 IonicContact OD1-CZ 2.62Å; D973-R1002 IonicContact OD1-NE 2.73Å; D973-R1002 PolarHBondContact OD1-NE 3.33Å; D973-R1002 IonicContact OD1-NH2 2.62Å; D973-R1002 PolarHBondContact OD1-NH2 2.96Å; D973-R1002 IonicContact OD2-CZ 2.6Å; D973-R1002 IonicContact OD2-NE 3.9Å; D973-R1002 IonicContact OD2-NH2 3.7Å; D973-R1002 PolarHBondContact OD2-NH2 2.89Å; L998-R1002 VanDerWaalsContact O-CB 3.23Å; L998-R1002 WeakPolarHBondContact O-CB 3.29Å; L998-R1002 PolarHBondContact O-N 3.13Å; E999-R1002 WeakPolarHBondContact O-CB 3.47Å; E999-R1002 PolarHBondContact O-N 3.38Å; D1000-R1002 VanDerWaalsContact C-N 3.31Å; D1000-R1002 PolarHBondContact O-N 3.47Å; R1002-Y1006 WeakPolarHBondContact O-CB 3.27Å; R1002-Y1006 PolarHBondContact O-N 3.18Å; R1002-Y1006 VanDerWaalsContact O-N 3.08Å
1003	E	97.6	Very high	92.8	Very high	115 Å²	115	59.4 Å²	59.4	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-42	172.9	-177.9	164.7	-173.4	0	0	111.3	E999 D1000 Y1006 N1007	E999-E1003 PolarHBondContact O-N 3.34Å; D1000-E1003 PolarHBondContact O-N 3.26Å; E1003-Y1006 WeakPolarHBondContact O-CB 3.46Å; E1003-Y1006 PolarHBondContact O-N 3.11Å; E1003-N1007 VanDerWaalsContact O-CG 3.31Å; E1003-N1007 PolarHBondContact O-N 2.78Å; E1003-N1007 PolarHBondContact O-ND2 2.93Å
1004	W	97.9	Very high	91.2	Very high	70 Å²	70	60 Å²	60	27%	0.265	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-54.2	175.9	-174.2	85.3	0	0	0	112.2	L925 R929 D1000 N1001 Y1006 N1007 Q1008	L925-W1004 HydrophobicContact CD1-CB 4.47Å; L925-W1004 HydrophobicContact CD1-CD2 3.86Å; L925-W1004 HydrophobicContact CD1-CE3 3.77Å; L925-W1004 HydrophobicContact CD1-CG 4.15Å; L925-W1004 HydrophobicContact CD1-CZ3 4.41Å; L925-W1004 HydrophobicContact CD2-CB 4.48Å; L925-W1004 HydrophobicContact CD2-CD2 3.85Å; L925-W1004 HydrophobicContact CD2-CG 3.75Å; L925-W1004 HydrophobicContact CG-CD2 4.46Å; R929-W1004 HydrophobicContact CG-CH2 4.33Å; R929-W1004 HydrophobicContact CG-CZ3 4.18Å; D1000-W1004 PolarHBondContact O-N 3.1Å; N1001-W1004 PolarHBondContact O-N 3.35Å; W1004-Y1006 VanDerWaalsContact C-N 3.28Å; W1004-Y1006 PolarHBondContact O-N 3.32Å; W1004-N1007 PolarHBondContact O-N 3.23Å; W1004-N1007 VanDerWaalsContact O-N 3.13Å; W1004-Q1008 HydrophobicContact CD2-CG 4.15Å; W1004-Q1008 HydrophobicContact CE3-CG 4.1Å; W1004-Q1008 HydrophobicContact CH2-CG 3.72Å; W1004-Q1008 HydrophobicContact CZ2-CG 3.79Å; W1004-Q1008 HydrophobicContact CZ3-CG 3.89Å; W1004-Q1008 WeakPolarHBondContact O-CG 3.48Å; W1004-Q1008 PolarHBondContact O-N 2.74Å; W1004-Q1008 VanDerWaalsContact O-N 3.1Å
1005	Y	96.9	Very high	89.4	Confident	9 Å²	9	64.7 Å²	64.7	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-34.4	177	-88.5	-73.8	0	0	0	112.8	Y928 T932 E965 Q968 N1001 N1007 Q1008 I1009	Y928-Y1005 HydrophobicContact CD1-CD2 4.36Å; Y928-Y1005 AromaticContact CD1-CE2 3.78Å; Y928-Y1005 HydrophobicContact CD1-CE2 3.78Å; Y928-Y1005 AromaticContact CE1-CD2 3.64Å; Y928-Y1005 HydrophobicContact CE1-CD2 3.64Å; Y928-Y1005 AromaticContact CE1-CE2 3.31Å; Y928-Y1005 HydrophobicContact CE1-CE2 3.31Å; Y928-Y1005 HydrophobicContact CE2-CE2 4.46Å; Y928-Y1005 AromaticContact CZ-CE2 3.7Å; T932-Y1005 VanDerWaalsContact CB-OH 3.28Å; T932-Y1005 WeakPolarHBondContact CB-OH 3.47Å; T932-Y1005 WeakPolarHBondContact CG2-OH 3.41Å; T932-Y1005 PolarHBondContact OG1-OH 3.02Å; T932-Y1005 VanDerWaalsContact OG1-OH 3.05Å; E965-Y1005 HydrophobicContact CB-CD1 4.02Å; E965-Y1005 HydrophobicContact CG-CD1 4.08Å; Q968-Y1005 HydrophobicContact CB-CD1 4.05Å; Q968-Y1005 HydrophobicContact CB-CD2 4.21Å; Q968-Y1005 HydrophobicContact CB-CE1 4.25Å; Q968-Y1005 HydrophobicContact CB-CE2 4.43Å; Q968-Y1005 HydrophobicContact CB-CG 4.01Å; Q968-Y1005 HydrophobicContact CG-CD1 4.18Å; Q968-Y1005 HydrophobicContact CG-CE1 3.87Å; Q968-Y1005 HydrophobicContact CG-CE2 4.32Å; N1001-Y1005 PolarHBondContact O-N 2.91Å; N1001-Y1005 VanDerWaalsContact O-N 3.11Å; Y1005-N1007 VanDerWaalsContact C-N 3.35Å; Y1005-Q1008 PolarHBondContact O-N 3.03Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.26Å; Y1005-I1009 PolarHBondContact O-N 2.96Å
1006	Y	95.9	Very high	87.5	Confident	103 Å²	103	68.7 Å²	68.7	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-37.8	174.8	-178.8	-95.1	0	0	0	112.5	R1002 E1003 W1004 I1009 N1010	R1002-Y1006 WeakPolarHBondContact O-CB 3.27Å; R1002-Y1006 PolarHBondContact O-N 3.18Å; R1002-Y1006 VanDerWaalsContact O-N 3.08Å; E1003-Y1006 WeakPolarHBondContact O-CB 3.46Å; E1003-Y1006 PolarHBondContact O-N 3.11Å; W1004-Y1006 VanDerWaalsContact C-N 3.28Å; W1004-Y1006 PolarHBondContact O-N 3.32Å; Y1006-I1009 WeakPolarHBondContact O-CB 3.47Å; Y1006-I1009 PolarHBondContact O-N 2.76Å; Y1006-N1010 VanDerWaalsContact CE1-ND2 3.29Å; Y1006-N1010 WeakPolarHBondContact CE1-ND2 3.44Å; Y1006-N1010 PolarHBondContact O-ND2 3.39Å
1007	N	95.4	Very high	85.4	Confident	62 Å²	62	69.4 Å²	69.4	33%	0.332	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-38.1	177.8	-69.5	-24.6	0	0	0	112	E1003 W1004 Y1005 I1009 N1010 E1011	E1003-N1007 VanDerWaalsContact O-CG 3.31Å; E1003-N1007 PolarHBondContact O-N 2.78Å; E1003-N1007 PolarHBondContact O-ND2 2.93Å; W1004-N1007 PolarHBondContact O-N 3.23Å; W1004-N1007 VanDerWaalsContact O-N 3.13Å; Y1005-N1007 VanDerWaalsContact C-N 3.35Å; N1007-I1009 VanDerWaalsContact C-N 3.26Å; N1007-I1009 PolarHBondContact O-N 2.98Å; N1007-N1010 PolarHBondContact O-N 3.17Å; N1007-E1011 PolarHBondContact O-N 3.04Å
1008	Q	92.3	Very high	83.3	Confident	50 Å²	50	70.3 Å²	70.3	23%	0.234	36%	0.355	C	S	.	.	H	α-helix	trans	-58.8	-33.8	173.4	-63.6	-60.1	-89.4	0	0	113.1	E965 W1004 Y1005 N1010 E1011 N1012	E965-Q1008 HydrophobicContact CG-CB 3.94Å; W1004-Q1008 HydrophobicContact CD2-CG 4.15Å; W1004-Q1008 HydrophobicContact CE3-CG 4.1Å; W1004-Q1008 HydrophobicContact CH2-CG 3.72Å; W1004-Q1008 HydrophobicContact CZ2-CG 3.79Å; W1004-Q1008 HydrophobicContact CZ3-CG 3.89Å; W1004-Q1008 WeakPolarHBondContact O-CG 3.48Å; W1004-Q1008 PolarHBondContact O-N 2.74Å; W1004-Q1008 VanDerWaalsContact O-N 3.1Å; Y1005-Q1008 PolarHBondContact O-N 3.03Å; Q1008-N1010 VanDerWaalsContact C-N 3.29Å; Q1008-N1010 PolarHBondContact O-N 3.41Å; Q1008-E1011 PolarHBondContact NE2-OE2 3.27Å; Q1008-N1012 WeakPolarHBondContact O-CB 3.44Å; Q1008-N1012 PolarHBondContact O-N 3.36Å; Q1008-N1012 PolarHBondContact O-ND2 3.47Å
1009	I	89.8	Confident	81.1	Confident	20 Å²	20	78 Å²	78	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-39.1	173	-60.8	163.3	0	0	0	111.1	E965 K966 V969 Y1005 Y1006 N1007 N1013	E965-I1009 HydrophobicContact CB-CD1 4.21Å; E965-I1009 HydrophobicContact CB-CG1 3.5Å; E965-I1009 VanDerWaalsContact CB-CG1 3.5Å; K966-I1009 HydrophobicContact CB-CD1 4.42Å; K966-I1009 HydrophobicContact CG-CD1 3.81Å; K966-I1009 HydrophobicContact CG-CG1 4.05Å; K966-I1009 HydrophobicContact CG-CG2 4.29Å; V969-I1009 HydrophobicContact CB-CD1 4.49Å; V969-I1009 HydrophobicContact CG2-CD1 3.96Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.26Å; Y1005-I1009 PolarHBondContact O-N 2.96Å; Y1006-I1009 WeakPolarHBondContact O-CB 3.47Å; Y1006-I1009 PolarHBondContact O-N 2.76Å; N1007-I1009 VanDerWaalsContact C-N 3.26Å; N1007-I1009 PolarHBondContact O-N 2.98Å; I1009-N1013 PolarHBondContact O-N 2.62Å; I1009-N1013 PolarHBondContact O-ND2 3.47Å
1010	N	82.7	Confident	78.9	Confident	56 Å²	56	79.5 Å²	79.5	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-78.4	-37.6	-175.3	-61.4	-40.9	0	0	0	112.2	Y1006 N1007 Q1008 N1013 N1014	Y1006-N1010 VanDerWaalsContact CE1-ND2 3.29Å; Y1006-N1010 WeakPolarHBondContact CE1-ND2 3.44Å; Y1006-N1010 PolarHBondContact O-ND2 3.39Å; N1007-N1010 PolarHBondContact O-N 3.17Å; Q1008-N1010 VanDerWaalsContact C-N 3.29Å; Q1008-N1010 PolarHBondContact O-N 3.41Å; N1010-N1013 PolarHBondContact O-N 2.97Å; N1010-N1014 VanDerWaalsContact O-CG 3.28Å; N1010-N1014 PolarHBondContact O-N 3.28Å; N1010-N1014 PolarHBondContact O-ND2 3.24Å
1011	E	79.9	Confident	76.7	Confident	100 Å²	100	81.4 Å²	81.4	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-52.1	173	-71.2	172.2	-173.4	0	0	110.4	N1007 Q1008 N1013 N1014 D1015	N1007-E1011 PolarHBondContact O-N 3.04Å; Q1008-E1011 PolarHBondContact NE2-OE2 3.27Å; E1011-N1013 PolarHBondContact O-N 3.29Å; E1011-N1013 VanDerWaalsContact O-N 3.17Å; E1011-N1014 PolarHBondContact O-N 3.46Å; E1011-D1015 PolarHBondContact O-N 3.33Å; E1011-D1015 VanDerWaalsContact O-N 3.11Å
1012	N	72.7	Confident	73.8	Confident	70 Å²	70	92.6 Å²	92.6	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-58.3	-31.4	176.3	-71.5	-18	0	0	0	113.5	Q1008 N1016	Q1008-N1012 WeakPolarHBondContact O-CB 3.44Å; Q1008-N1012 PolarHBondContact O-N 3.36Å; Q1008-N1012 PolarHBondContact O-ND2 3.47Å; N1012-N1016 PolarHBondContact O-ND2 3.3Å
1013	N	69.9	Low	72.6	Confident	74 Å²	74	94.1 Å²	94.1	40%	0.396	48%	0.476	S	S	.	.	H	α-helix	trans	-75.9	-32	175	-69.8	-34.4	0	0	0	112.7	I1009 N1010 E1011 N1017	I1009-N1013 PolarHBondContact O-N 2.62Å; I1009-N1013 PolarHBondContact O-ND2 3.47Å; N1010-N1013 PolarHBondContact O-N 2.97Å; E1011-N1013 PolarHBondContact O-N 3.29Å; E1011-N1013 VanDerWaalsContact O-N 3.17Å; N1013-N1017 PolarHBondContact O-N 3.17Å; N1013-N1017 PolarHBondContact O-ND2 3.11Å
1014	N	62.6	Low	71.3	Confident	100 Å²	100	93 Å²	93	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-73.3	-41.4	-179.4	-72	-25.9	0	0	0	111.7	N1010 E1011 N1016 N1017 A1018	N1010-N1014 VanDerWaalsContact O-CG 3.28Å; N1010-N1014 PolarHBondContact O-N 3.28Å; N1010-N1014 PolarHBondContact O-ND2 3.24Å; E1011-N1014 PolarHBondContact O-N 3.46Å; N1014-N1016 VanDerWaalsContact C-N 3.34Å; N1014-N1016 PolarHBondContact O-N 3.07Å; N1014-N1017 PolarHBondContact O-N 3.1Å; N1014-N1017 VanDerWaalsContact O-N 3.08Å; N1014-A1018 PolarHBondContact O-N 3.21Å
1015	D	59.9	Low	69.8	Low	108 Å²	108	94.3 Å²	94.3	58%	0.578	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-40.6	178.1	-68	-15.5	0	0	0	111.4	E1011 N1017 A1018 E1019	E1011-D1015 PolarHBondContact O-N 3.33Å; E1011-D1015 VanDerWaalsContact O-N 3.11Å; D1015-N1017 VanDerWaalsContact C-N 3.26Å; D1015-N1017 PolarHBondContact O-N 3.31Å; D1015-A1018 PolarHBondContact O-N 2.96Å; D1015-E1019 PolarHBondContact O-N 3.08Å; D1015-E1019 VanDerWaalsContact O-N 3.1Å
1016	N	56	Low	68.2	Low	99 Å²	99	99.3 Å²	99.3	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-24.4	173.2	-81.5	-69.1	0	0	0	113.7	N1012 N1014 N1020	N1012-N1016 PolarHBondContact O-ND2 3.3Å; N1014-N1016 VanDerWaalsContact C-N 3.34Å; N1014-N1016 PolarHBondContact O-N 3.07Å; N1016-N1020 PolarHBondContact O-ND2 3.32Å
1017	N	54.2	Low	66.5	Low	102 Å²	102	99.1 Å²	99.1	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-81.6	-37.6	173	-70.5	-34.3	0	0	0	111.2	N1013 N1014 D1015 E1019 N1020 D1021	N1013-N1017 PolarHBondContact O-N 3.17Å; N1013-N1017 PolarHBondContact O-ND2 3.11Å; N1014-N1017 PolarHBondContact O-N 3.1Å; N1014-N1017 VanDerWaalsContact O-N 3.08Å; D1015-N1017 VanDerWaalsContact C-N 3.26Å; D1015-N1017 PolarHBondContact O-N 3.31Å; N1017-E1019 PolarHBondContact O-N 3.3Å; N1017-N1020 PolarHBondContact O-N 3.11Å; N1017-N1020 VanDerWaalsContact O-N 3.11Å; N1017-D1021 PolarHBondContact O-N 2.77Å
1018	A	53.8	Low	64.5	Low	59 Å²	59	101.5 Å²	101.5	49%	0.488	53%	0.529	S	S	.	.	H	α-helix	trans	-62.5	-39.3	177.3	0	0	0	0	0	112.6	N1014 D1015 N1020 D1021	N1014-A1018 PolarHBondContact O-N 3.21Å; D1015-A1018 PolarHBondContact O-N 2.96Å; A1018-N1020 PolarHBondContact O-N 3.46Å; A1018-D1021 PolarHBondContact O-N 3.33Å
1019	E	52.2	Low	62.6	Low	160 Å²	160	105.2 Å²	105.2	75%	0.748	55%	0.55	S	S	*	*	H	α-helix	trans	-71	-10.1	175	-71	-163.2	155.8	0	0	114.5	D1015 N1017	D1015-E1019 PolarHBondContact O-N 3.08Å; D1015-E1019 VanDerWaalsContact O-N 3.1Å; N1017-E1019 PolarHBondContact O-N 3.3Å
1020	N	52.5	Low	60.5	Low	131 Å²	131	111.8 Å²	111.8	70%	0.701	59%	0.585	S	S	*	*	H	α-helix	trans	-100.3	-8.9	174.8	-78.3	-72.4	0	0	0	113.6	N1016 N1017 A1018	N1016-N1020 PolarHBondContact O-ND2 3.32Å; N1017-N1020 PolarHBondContact O-N 3.11Å; N1017-N1020 VanDerWaalsContact O-N 3.11Å; A1018-N1020 PolarHBondContact O-N 3.46Å
1021	D	51.6	Low	58.6	Low	152 Å²	152	116.4 Å²	116.4	81%	0.813	61%	0.609	S	S	*	*	H	α-helix	trans	-99.1	-6.8	176	-82.7	-22.7	0	0	0	113.3	N1017 A1018	N1017-D1021 PolarHBondContact O-N 2.77Å; A1018-D1021 PolarHBondContact O-N 3.33Å
1022	E	37.9	Very low	56.7	Low	242 Å²	242	117.9 Å²	117.9	100%	1.131	62%	0.622	S	S	*	*			trans	-93.9	0	169.3	-75.6	-154.6	153.4	0	0	114.3

Retrieved 1,022 of 1,022 residues in 1822 ms (Link to these results)

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