A0A077Z165_TRITR Loading...

V-type proton ATPase subunit a

Essential component of the vacuolar proton pump (V-ATPase), a multimeric enzyme that catalyzes the translocation of protons across the membranes. Required for assembly and activity of the V-ATPase.

AlphaFold DB , UniProt , Accession A0A077Z165, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 788 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	77.8	Confident	223 Å²	223	61.3 Å²	61.3	100%	1.099	32%	0.318	S	S	*	.				0	-2.4	0	-73.8	-168.9	-174.5	0	0	114
2	G	54.6	Low	79	Confident	59 Å²	59	58.5 Å²	58.5	61%	0.608	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-75.9	-16.1	177.8	0	0	0	0	0	115.7	L4 F5	G2-L4 VanDerWaalsContact C-N 3.25Å; G2-L4 PolarHBondContact O-N 2.97Å; G2-F5 PolarHBondContact O-N 3.45Å
3	S	64.7	Low	80	Confident	12 Å²	12	54 Å²	54	8%	0.084	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-70.2	-10.3	-170.8	65.5	0	0	0	0	116.3	R6 E8 R316	S3-R6 CarbonylContact C-O 3.58Å; S3-R6 VanDerWaalsContact CA-O 3.26Å; S3-R6 WeakPolarHBondContact CA-O 3.36Å; S3-E8 VanDerWaalsContact CB-OE1 3.28Å; S3-E8 WeakPolarHBondContact CB-OE1 3.41Å; S3-R316 WeakPolarHBondContact OG-CB 3.41Å
4	L	75.5	Confident	80.8	Confident	41 Å²	41	52.7 Å²	52.7	22%	0.215	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-80.3	-32	179	-161.2	78.2	0	0	0	111	G2 T321 N340 P343	G2-L4 VanDerWaalsContact C-N 3.25Å; G2-L4 PolarHBondContact O-N 2.97Å; L4-T321 HydrophobicContact CD1-CG2 3.97Å; L4-N340 VanDerWaalsContact O-CB 3.3Å; L4-N340 WeakPolarHBondContact O-CB 3.43Å; L4-N340 PolarHBondContact O-ND2 2.92Å; L4-P343 HydrophobicContact CD2-CB 4.27Å; L4-P343 HydrophobicContact CD2-CG 4.08Å; L4-P343 HydrophobicContact CG-CG 3.94Å; L4-P343 WeakPolarHBondContact O-CD 3.35Å; L4-P343 WeakPolarHBondContact O-CG 3.21Å
5	F	84.2	Confident	81.3	Confident	115 Å²	115	49.5 Å²	49.5	50%	0.504	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-29.4	-177.8	-68.7	-79.6	0	0	0	113	G2 N340 P343	G2-F5 PolarHBondContact O-N 3.45Å; F5-N340 PolarHBondContact O-N 3.13Å; F5-P343 HydrophobicContact CD1-CB 4.48Å; F5-P343 HydrophobicContact CD1-CG 4.24Å; F5-P343 HydrophobicContact CE1-CB 4.37Å
6	R	85.5	Confident	81.8	Confident	92 Å²	92	49.9 Å²	49.9	35%	0.347	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-146.1	157	-179.1	-61	-176.9	-176.6	-154.8	-17.3	108.6	S3 F500 F501	S3-R6 CarbonylContact C-O 3.58Å; S3-R6 VanDerWaalsContact CA-O 3.26Å; S3-R6 WeakPolarHBondContact CA-O 3.36Å; R6-F500 PolarHBondContact NH2-O 2.91Å; R6-F501 VanDerWaalsContact CD-CE1 3.49Å; R6-F501 HydrophobicContact CG-CE1 3.67Å; R6-F501 HydrophobicContact CG-CZ 3.6Å; R6-F501 VanDerWaalsContact NH2-CE2 3.25Å
7	S	87.7	Confident	82.1	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.042	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57.1	149.5	172.2	77.5	0	0	0	0	111.9	Y314 N315 R337	S7-Y314 WeakPolarHBondContact CA-O 3.41Å; S7-N315 VanDerWaalsContact CA-OD1 3.31Å; S7-N315 WeakPolarHBondContact CA-OD1 3.14Å; S7-R337 VanDerWaalsContact OG-CA 3.27Å; S7-R337 WeakPolarHBondContact OG-CA 3.45Å; S7-R337 PolarHBondContact OG-N 3.29Å
8	E	89.7	Confident	82.4	Confident	30 Å²	30	48.4 Å²	48.4	14%	0.14	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.6	150	169.8	-75.2	-74.8	-170.3	0	0	110.6	S3 M10 Y314 R316 Y336	S3-E8 VanDerWaalsContact CB-OE1 3.28Å; S3-E8 WeakPolarHBondContact CB-OE1 3.41Å; E8-M10 PolarHBondContact O-N 3.39Å; E8-Y314 HydrophobicContact CB-CD1 4.08Å; E8-Y314 HydrophobicContact CG-CD1 4Å; E8-Y314 HydrophobicContact CG-CE1 4.49Å; E8-Y314 PolarHBondContact N-O 3.09Å; E8-R316 HydrophobicContact CG-CG 4.17Å; E8-R316 VanDerWaalsContact OE1-CD 3.3Å; E8-R316 WeakPolarHBondContact OE1-CD 3.42Å; E8-R316 IonicContact OE1-CZ 2.99Å; E8-R316 IonicContact OE1-NE 3.31Å; E8-R316 PolarHBondContact OE1-NE 3.44Å; E8-R316 IonicContact OE1-NH1 2.82Å; E8-R316 PolarHBondContact OE1-NH1 3.11Å; E8-Y336 WeakPolarHBondContact O-CE2 3.37Å
9	E	90.3	Very high	82.5	Confident	80 Å²	80	48.8 Å²	48.8	37%	0.374	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-73.3	125.9	173.1	-69.4	-171.1	177.3	0	0	109.7	P282 V283 Y336 R337	E9-P282 CarbonylContact O-C 3.59Å; E9-P282 WeakPolarHBondContact O-CA 3.49Å; E9-V283 HydrophobicContact CB-CB 4.32Å; E9-V283 HydrophobicContact CB-CG2 4.01Å; E9-V283 WeakPolarHBondContact O-CG2 3.47Å; E9-V283 PolarHBondContact O-N 2.94Å; E9-Y336 WeakPolarHBondContact CA-OH 3.49Å; E9-R337 IonicContact OE1-CZ 3.38Å; E9-R337 IonicContact OE1-NH1 2.78Å; E9-R337 PolarHBondContact OE1-NH1 3.43Å; E9-R337 IonicContact OE1-NH2 2.69Å; E9-R337 PolarHBondContact OE1-NH2 3Å
10	M	91.7	Very high	82.6	Confident	11 Å²	11	55.6 Å²	55.6	5%	0.054	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	145	176.4	-69.9	-66.8	171.8	0	0	110.7	E8 W280 C281 P282 P311 P312 Y314 Y336 F770	E8-M10 PolarHBondContact O-N 3.39Å; M10-W280 HydrophobicContact CB-CE3 4.17Å; M10-C281 WeakPolarHBondContact CA-O 3.46Å; M10-P282 HydrophobicContact CE-CG 4.02Å; M10-P282 HydrophobicContact SD-CB 4.45Å; M10-P282 HydrophobicContact SD-CG 4.17Å; M10-P311 HydrophobicContact CB-CB 3.62Å; M10-P311 HydrophobicContact CB-CG 4.43Å; M10-P311 HydrophobicContact CG-CB 4.2Å; M10-P312 HydrophobicContact CG-CG 4.37Å; M10-P312 WeakPolarHBondContact CG-O 3.2Å; M10-Y314 HydrophobicContact CE-CD1 3.9Å; M10-Y314 HydrophobicContact CE-CG 3.89Å; M10-Y336 HydrophobicContact CB-CE2 3.85Å; M10-Y336 HydrophobicContact CG-CE2 3.91Å; M10-Y336 PolarHBondContact N-OH 3.33Å; M10-Y336 PolarHBondContact O-OH 3.35Å; M10-F770 HydrophobicContact CE-CB 4.25Å; M10-F770 HydrophobicContact CE-CD1 4.2Å; M10-F770 HydrophobicContact CE-CD2 3.84Å; M10-F770 HydrophobicContact CE-CE2 4.22Å; M10-F770 HydrophobicContact CE-CG 3.84Å; M10-F770 HydrophobicContact SD-CD2 4.38Å; M10-F770 HydrophobicContact SD-CE2 4.39Å
11	C	90.9	Very high	82.7	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.034	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.3	165.5	53	0	0	0	0	110.9	C281 V283 R304	C11-C281 PolarHBondContact N-O 3Å; C11-C281 PolarHBondContact O-N 2.97Å; C11-C281 VanDerWaalsContact O-N 3.14Å; C11-V283 HydrophobicContact CB-CG2 3.9Å; C11-R304 HydrophobicContact CB-CG 4.3Å
12	R	92.7	Very high	85	Confident	28 Å²	28	43 Å²	43	11%	0.106	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.5	168	-172.5	168.1	171.4	-175.9	-10.1	107.8	R38 E278 C279 W280 M305 T307 E309	R12-R38 VanDerWaalsContact NH1-NH1 3.15Å; R12-E278 IonicContact CZ-OE2 2.59Å; R12-E278 IonicContact NE-OE2 3.07Å; R12-E278 PolarHBondContact NE-OE2 3.19Å; R12-E278 VanDerWaalsContact NH2-CD 3.27Å; R12-E278 IonicContact NH2-OE1 3.21Å; R12-E278 PolarHBondContact NH2-OE1 2.86Å; R12-E278 IonicContact NH2-OE2 3.56Å; R12-E278 PolarHBondContact NH2-OE2 3.23Å; R12-C279 WeakPolarHBondContact CA-O 3.36Å; R12-W280 HydrophobicContact CB-CE3 3.99Å; R12-W280 HydrophobicContact CB-CH2 3.94Å; R12-W280 HydrophobicContact CB-CZ2 4.42Å; R12-W280 HydrophobicContact CB-CZ3 3.68Å; R12-M305 HydrophobicContact CG-CB 4.49Å; R12-M305 HydrophobicContact CG-CE 4.14Å; R12-M305 PolarHBondContact O-N 2.97Å; R12-T307 HydrophobicContact CB-CG2 3.88Å; R12-T307 HydrophobicContact CG-CG2 4.39Å; R12-T307 PolarHBondContact NH1-OG1 3.39Å; R12-E309 IonicContact CZ-OE2 3.13Å; R12-E309 IonicContact NH1-OE1 2.76Å; R12-E309 PolarHBondContact NH1-OE1 3.08Å; R12-E309 IonicContact NH1-OE2 2.92Å; R12-E309 PolarHBondContact NH1-OE2 3.13Å; R12-E309 VanDerWaalsContact NH1-OE2 3.16Å
13	C	91.4	Very high	86.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.6	178.3	-68.8	0	0	0	0	110.1	E278 C279 L302 N303	C13-E278 WeakPolarHBondContact O-CA 3.36Å; C13-C279 PolarHBondContact N-O 3.47Å; C13-C279 PolarHBondContact O-N 3.01Å; C13-L302 HydrophobicContact CB-CD1 3.58Å; C13-L302 HydrophobicContact CB-CG 4.31Å; C13-N303 CarbonylContact C-O 3.6Å; C13-N303 VanDerWaalsContact CA-O 3.3Å; C13-N303 WeakPolarHBondContact CA-O 3.31Å
14	Q	91.6	Very high	87.9	Confident	36 Å²	36	43.2 Å²	43.2	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125	172.2	-172.7	177.1	50.8	0	0	108.5	F16 I276 A277 N303 M305	Q14-F16 HydrophobicContact CG-CE2 3.95Å; Q14-F16 HydrophobicContact CG-CZ 4.12Å; Q14-I276 HydrophobicContact CG-CG2 3.84Å; Q14-A277 CarbonylContact C-O 3.56Å; Q14-A277 WeakPolarHBondContact CA-O 3.47Å; Q14-N303 PolarHBondContact N-O 3.27Å; Q14-N303 PolarHBondContact O-N 2.9Å; Q14-M305 HydrophobicContact CB-CE 4.42Å; Q14-M305 HydrophobicContact CB-CG 3.84Å; Q14-M305 HydrophobicContact CB-SD 3.75Å; Q14-M305 HydrophobicContact CG-SD 4.29Å
15	M	88.9	Confident	88.4	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.6	180	-60.6	-175.1	71.7	0	0	109.6	L17 L29 I276 A277 I301 L302	M15-L17 HydrophobicContact CE-CD2 4.38Å; M15-L29 HydrophobicContact CE-CD1 3.84Å; M15-L29 HydrophobicContact SD-CD1 4.05Å; M15-I276 WeakPolarHBondContact O-CA 3.42Å; M15-A277 HydrophobicContact CB-CB 4.31Å; M15-A277 PolarHBondContact N-O 3.47Å; M15-A277 PolarHBondContact O-N 2.92Å; M15-I301 WeakPolarHBondContact CA-O 3.29Å; M15-L302 HydrophobicContact CG-CD1 3.5Å; M15-L302 VanDerWaalsContact CG-CD1 3.5Å; M15-L302 HydrophobicContact SD-CD1 4.21Å
16	F	88.6	Confident	88.7	Confident	56 Å²	56	36 Å²	36	25%	0.246	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.1	170.1	-64.4	-91.3	0	0	0	109	Q14 I276 I301	Q14-F16 HydrophobicContact CG-CE2 3.95Å; Q14-F16 HydrophobicContact CG-CZ 4.12Å; F16-I276 HydrophobicContact CD1-CD1 4.49Å; F16-I276 HydrophobicContact CD1-CG1 3.97Å; F16-I276 HydrophobicContact CE1-CD1 3.95Å; F16-I276 HydrophobicContact CE1-CG1 3.88Å; F16-I301 HydrophobicContact CB-CB 4.35Å; F16-I301 HydrophobicContact CD2-CB 4.28Å; F16-I301 HydrophobicContact CD2-CG2 4.4Å; F16-I301 PolarHBondContact N-O 2.94Å
17	L	87.9	Confident	88.9	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131	-177.7	-62.6	172.8	0	0	0	109.7	M15 A22 C25 V26 F266 C274 L275	M15-L17 HydrophobicContact CE-CD2 4.38Å; L17-A22 HydrophobicContact CB-CB 4.09Å; L17-A22 HydrophobicContact CD1-CB 4.46Å; L17-C25 HydrophobicContact CD1-CB 4.49Å; L17-C25 HydrophobicContact CD2-CB 3.75Å; L17-V26 HydrophobicContact CD1-CG2 4.5Å; L17-F266 HydrophobicContact CD1-CE2 3.94Å; L17-C274 CarbonylContact O-C 3.5Å; L17-C274 WeakPolarHBondContact O-CA 3.4Å; L17-L275 HydrophobicContact CB-CB 4.46Å; L17-L275 PolarHBondContact N-O 2.99Å; L17-L275 PolarHBondContact O-N 3.16Å
18	Q	86.5	Confident	88.9	Confident	70 Å²	70	36.5 Å²	36.5	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	141.6	168.4	-70.7	-170.5	-22	0	0	110.1	E20 A21 A22	Q18-E20 PolarHBondContact O-N 2.95Å; Q18-E20 VanDerWaalsContact O-N 3.13Å; Q18-A21 HydrophobicContact CB-CB 4.43Å; Q18-A21 PolarHBondContact O-N 2.89Å; Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 3.4Å
19	T	85.3	Confident	88.9	Confident	56 Å²	56	35.2 Å²	35.2	34%	0.344	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.7	-177.5	40	0	0	0	0	114.2	L268 K273 L275	T19-L268 HydrophobicContact CG2-CD1 4.09Å; T19-K273 WeakPolarHBondContact CG2-O 3.46Å; T19-K273 PolarHBondContact N-O 3.18Å; T19-K273 PolarHBondContact OG1-O 3.43Å; T19-L275 HydrophobicContact CG2-CD1 4.38Å; T19-L275 HydrophobicContact CG2-CG 4.13Å
20	E	83.7	Confident	88.9	Confident	185 Å²	185	31.4 Å²	31.4	86%	0.864	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.6	177.5	-62.4	-177.8	-177	0	0	113.1	Q18	Q18-E20 PolarHBondContact O-N 2.95Å; Q18-E20 VanDerWaalsContact O-N 3.13Å
21	A	85.9	Confident	88.8	Confident	12 Å²	12	34 Å²	34	10%	0.099	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-20.3	-178.7	0	0	0	0	0	113.2	Q18 Y23 A24 C25	Q18-A21 HydrophobicContact CB-CB 4.43Å; Q18-A21 PolarHBondContact O-N 2.89Å; A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 PolarHBondContact O-N 2.96Å; A21-Y23 VanDerWaalsContact O-N 3.14Å; A21-A24 PolarHBondContact O-N 3.23Å; A21-C25 PolarHBondContact O-N 2.91Å; A21-C25 PolarHBondContact O-SG 3.3Å; A21-C25 VanDerWaalsContact O-SG 3.36Å
22	A	88.5	Confident	88.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-38	-171.7	0	0	0	0	0	113.8	L17 Q18 V26 L263 L275	L17-A22 HydrophobicContact CB-CB 4.09Å; L17-A22 HydrophobicContact CD1-CB 4.46Å; Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 3.4Å; A22-V26 WeakPolarHBondContact O-CB 3.29Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 3.17Å; A22-L263 HydrophobicContact CB-CD2 3.96Å; A22-L275 HydrophobicContact CB-CD1 3.58Å
23	Y	90.8	Very high	88.4	Confident	24 Å²	24	36.4 Å²	36.4	9%	0.094	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-45.4	177.2	-176.1	-80.6	0	0	0	111.8	A21 S27 P89 A91 I256 I259 Y260 L263	A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 PolarHBondContact O-N 2.96Å; A21-Y23 VanDerWaalsContact O-N 3.14Å; Y23-S27 VanDerWaalsContact O-CB 3.28Å; Y23-S27 WeakPolarHBondContact O-CB 3.47Å; Y23-S27 PolarHBondContact O-N 2.79Å; Y23-P89 VanDerWaalsContact CE1-O 3.31Å; Y23-P89 WeakPolarHBondContact CE1-O 3.4Å; Y23-P89 PolarHBondContact OH-O 2.8Å; Y23-A91 HydrophobicContact CD1-CB 3.94Å; Y23-A91 HydrophobicContact CD2-CB 4Å; Y23-A91 HydrophobicContact CE1-CB 3.95Å; Y23-A91 VanDerWaalsContact CE1-N 3.32Å; Y23-A91 HydrophobicContact CE2-CB 3.98Å; Y23-A91 HydrophobicContact CG-CB 3.98Å; Y23-I256 WeakPolarHBondContact OH-CG1 3.34Å; Y23-I259 HydrophobicContact CD2-CG2 3.59Å; Y23-I259 HydrophobicContact CE1-CD1 4.18Å; Y23-I259 HydrophobicContact CE2-CB 4.23Å; Y23-I259 HydrophobicContact CE2-CD1 4.2Å; Y23-I259 HydrophobicContact CE2-CG2 3.67Å; Y23-I259 HydrophobicContact CG-CG2 4.21Å; Y23-Y260 HydrophobicContact CD2-CE1 4.1Å; Y23-Y260 HydrophobicContact CE2-CE1 4.26Å; Y23-Y260 HydrophobicContact CE2-CE2 4.08Å; Y23-Y260 AromaticContact CE2-CZ 3.83Å; Y23-L263 HydrophobicContact CD2-CD1 4.47Å
24	A	87.9	Confident	88.3	Confident	53 Å²	53	37.9 Å²	37.9	44%	0.438	20%	0.198	S	C	.	.	H	α-helix	trans	-67.1	-42.9	179.1	0	0	0	0	0	111.2	A21 V26 S27 E28	A21-A24 PolarHBondContact O-N 3.23Å; A24-V26 PolarHBondContact O-N 3.45Å; A24-S27 VanDerWaalsContact O-CB 3.28Å; A24-S27 WeakPolarHBondContact O-CB 3.21Å; A24-S27 PolarHBondContact O-N 3.38Å; A24-E28 WeakPolarHBondContact O-CG 3.45Å; A24-E28 PolarHBondContact O-N 2.84Å
25	C	87.4	Confident	88.3	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-45	177.3	-58.7	0	0	0	0	112	L17 A21 S27 E28 L29 S294	L17-C25 HydrophobicContact CD1-CB 4.49Å; L17-C25 HydrophobicContact CD2-CB 3.75Å; A21-C25 PolarHBondContact O-N 2.91Å; A21-C25 PolarHBondContact O-SG 3.3Å; A21-C25 VanDerWaalsContact O-SG 3.36Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 2.9Å; C25-E28 PolarHBondContact O-N 2.85Å; C25-L29 WeakPolarHBondContact O-CB 3.38Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.4Å; C25-S294 PolarHBondContact SG-OG 3.35Å; C25-S294 VanDerWaalsContact SG-OG 3.37Å
26	V	90.4	Very high	88.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-33.5	177.6	175	0	0	0	0	111.6	L17 A22 A24 G30 I259 T262 L263 F266 F773	L17-V26 HydrophobicContact CD1-CG2 4.5Å; A22-V26 WeakPolarHBondContact O-CB 3.29Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 3.17Å; A24-V26 PolarHBondContact O-N 3.45Å; V26-G30 PolarHBondContact O-N 2.91Å; V26-I259 HydrophobicContact CB-CG2 4.18Å; V26-I259 HydrophobicContact CG1-CB 4.35Å; V26-I259 HydrophobicContact CG1-CG1 4.32Å; V26-I259 HydrophobicContact CG1-CG2 3.92Å; V26-T262 HydrophobicContact CG1-CG2 3.98Å; V26-L263 HydrophobicContact CG2-CD2 3.88Å; V26-L263 HydrophobicContact CG2-CG 4.45Å; V26-F266 HydrophobicContact CG2-CE2 3.62Å; V26-F266 HydrophobicContact CG2-CZ 3.82Å; V26-F773 HydrophobicContact CG1-CE1 3.81Å; V26-F773 HydrophobicContact CG1-CZ 4.21Å
27	S	90.2	Very high	88.8	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-53.5	172.7	-177.9	0	0	0	0	111.5	Y23 A24 C25 L29 G30 E31 A88 F775	Y23-S27 VanDerWaalsContact O-CB 3.28Å; Y23-S27 WeakPolarHBondContact O-CB 3.47Å; Y23-S27 PolarHBondContact O-N 2.79Å; A24-S27 VanDerWaalsContact O-CB 3.28Å; A24-S27 WeakPolarHBondContact O-CB 3.21Å; A24-S27 PolarHBondContact O-N 3.38Å; C25-S27 VanDerWaalsContact C-N 3.28Å; C25-S27 PolarHBondContact O-N 2.9Å; S27-L29 PolarHBondContact O-N 3.45Å; S27-G30 PolarHBondContact O-N 3.47Å; S27-G30 VanDerWaalsContact O-N 3.16Å; S27-E31 PolarHBondContact O-N 2.67Å; S27-E31 VanDerWaalsContact O-N 3.14Å; S27-A88 WeakPolarHBondContact OG-CB 3.36Å; S27-F775 VanDerWaalsContact O-CE2 3.31Å; S27-F775 WeakPolarHBondContact O-CE2 3.43Å
28	E	87.1	Confident	89	Confident	98 Å²	98	39.7 Å²	39.7	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-42	177.7	-65.7	-58.5	142.3	0	0	112.3	A24 C25 G30 E31 L32 L291	A24-E28 WeakPolarHBondContact O-CG 3.45Å; A24-E28 PolarHBondContact O-N 2.84Å; C25-E28 PolarHBondContact O-N 2.85Å; E28-G30 VanDerWaalsContact C-N 3.26Å; E28-G30 PolarHBondContact O-N 3.24Å; E28-E31 PolarHBondContact O-N 3.42Å; E28-L32 PolarHBondContact O-N 3.41Å; E28-L291 HydrophobicContact CB-CD1 3.89Å
29	L	89	Confident	89.3	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-62.6	-33.8	176.4	-68.9	171.5	0	0	0	112.5	M15 C25 S27 L32 G33 V35 F37 I289 L291	M15-L29 HydrophobicContact CE-CD1 3.84Å; M15-L29 HydrophobicContact SD-CD1 4.05Å; C25-L29 WeakPolarHBondContact O-CB 3.38Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.4Å; S27-L29 PolarHBondContact O-N 3.45Å; L29-L32 PolarHBondContact O-N 2.9Å; L29-G33 PolarHBondContact O-N 3.16Å; L29-V35 HydrophobicContact CD2-CG2 4.12Å; L29-F37 HydrophobicContact CD1-CZ 3.89Å; L29-I289 HydrophobicContact CD2-CG2 4Å; L29-L291 HydrophobicContact CD2-CD1 4.33Å
30	G	90.4	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-31.3	175.6	0	0	0	0	0	113.9	V26 S27 E28 F773 S774 F775	V26-G30 PolarHBondContact O-N 2.91Å; S27-G30 PolarHBondContact O-N 3.47Å; S27-G30 VanDerWaalsContact O-N 3.16Å; E28-G30 VanDerWaalsContact C-N 3.26Å; E28-G30 PolarHBondContact O-N 3.24Å; G30-F773 VanDerWaalsContact CA-CE1 3.47Å; G30-S774 WeakPolarHBondContact O-CA 3.3Å; G30-F775 WeakPolarHBondContact O-CD2 3.28Å; G30-F775 PolarHBondContact O-N 2.97Å
31	E	89.3	Confident	90	Very high	66 Å²	66	30.6 Å²	30.6	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-73.7	-36.4	172	-62.2	-63.9	174.6	0	0	111.3	S27 E28 A88 K255 F775	S27-E31 PolarHBondContact O-N 2.67Å; S27-E31 VanDerWaalsContact O-N 3.14Å; E28-E31 PolarHBondContact O-N 3.42Å; E31-A88 VanDerWaalsContact OE1-CB 3.3Å; E31-A88 WeakPolarHBondContact OE1-CB 3.35Å; E31-A88 PolarHBondContact OE1-N 3.28Å; E31-K255 IonicContact OE1-NZ 2.72Å; E31-K255 PolarHBondContact OE1-NZ 3.11Å; E31-K255 IonicContact OE2-NZ 3.09Å; E31-K255 PolarHBondContact OE2-NZ 3.14Å; E31-F775 HydrophobicContact CG-CD2 4.04Å; E31-F775 HydrophobicContact CG-CE2 4.06Å
32	L	87.4	Confident	90.2	Very high	72 Å²	72	34.6 Å²	34.6	38%	0.377	19%	0.186	S	C	.	.	H	α-helix	trans	-68.9	-40.6	176.5	-71.4	176.7	0	0	0	112.9	E28 L29 L34 L291	E28-L32 PolarHBondContact O-N 3.41Å; L29-L32 PolarHBondContact O-N 2.9Å; L32-L34 HydrophobicContact CB-CD1 4.32Å; L32-L34 HydrophobicContact CB-CG 4.33Å; L32-L291 HydrophobicContact CD1-CD1 3.94Å; L32-L291 HydrophobicContact CD1-CG 4.44Å
33	G	89.1	Confident	90.3	Very high	12 Å²	12	42 Å²	42	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	33.1	176.5	0	0	0	0	0	115	L29 P772 F773	L29-G33 PolarHBondContact O-N 3.16Å; G33-P772 WeakPolarHBondContact O-CB 3.36Å; G33-P772 WeakPolarHBondContact O-CG 3.08Å; G33-F773 WeakPolarHBondContact CA-O 3.09Å
34	L	88.5	Confident	90.2	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	24%	0.235	C	C	.	.			trans	-113.7	-2.5	-172	-61.8	174.3	0	0	0	114.7	L32 P282 D285 K288 F770	L32-L34 HydrophobicContact CB-CD1 4.32Å; L32-L34 HydrophobicContact CB-CG 4.33Å; L34-P282 WeakPolarHBondContact O-CD 3.3Å; L34-D285 HydrophobicContact CD1-CB 4.23Å; L34-K288 HydrophobicContact CD1-CB 4.16Å; L34-K288 HydrophobicContact CD1-CD 4.03Å; L34-F770 WeakPolarHBondContact O-CZ 3.28Å
35	V	91.9	Very high	90.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	23%	0.232	C	C	.	.			trans	-127.8	128.1	-166.8	-177.4	0	0	0	0	110.2	L29 F37 C279 C281 I289 F773	L29-V35 HydrophobicContact CD2-CG2 4.12Å; V35-F37 HydrophobicContact CG1-CE1 4.21Å; V35-F37 HydrophobicContact CG1-CE2 4.44Å; V35-F37 HydrophobicContact CG1-CZ 4.18Å; V35-C279 HydrophobicContact CG1-CB 3.18Å; V35-C279 WeakPolarHBondContact CG1-SG 3.45Å; V35-C281 HydrophobicContact CG2-CB 4.5Å; V35-I289 HydrophobicContact CG2-CD1 3.62Å; V35-I289 HydrophobicContact CG2-CG1 3.88Å; V35-I289 HydrophobicContact CG2-CG2 4.28Å; V35-F773 WeakPolarHBondContact O-CB 3.12Å; V35-F773 PolarHBondContact O-N 3.03Å
36	Q	94.2	Very high	90.4	Very high	28 Å²	28	47 Å²	47	13%	0.131	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.7	172.8	179.7	176.4	9.6	0	0	109.5	C279 W280 F770 T771	Q36-C279 CarbonylContact O-C 3.59Å; Q36-C279 WeakPolarHBondContact O-CA 3.36Å; Q36-C279 WeakPolarHBondContact O-CB 3.45Å; Q36-W280 HydrophobicContact CB-CB 4.41Å; Q36-W280 PolarHBondContact N-O 2.94Å; Q36-W280 PolarHBondContact O-N 2.9Å; Q36-F770 HydrophobicContact CB-CD2 3.92Å; Q36-F770 HydrophobicContact CB-CE2 3.47Å; Q36-F770 VanDerWaalsContact CB-CE2 3.47Å; Q36-F770 HydrophobicContact CB-CZ 4.28Å; Q36-T771 WeakPolarHBondContact CG-O 3.25Å; Q36-T771 PolarHBondContact NE2-OG1 2.98Å
37	F	93.9	Very high	90.4	Very high	23 Å²	23	54 Å²	54	10%	0.101	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142	179.4	-67.7	-73.7	0	0	0	112	L29 V35 T262 L265 F266 A277 C279 F773	L29-F37 HydrophobicContact CD1-CZ 3.89Å; V35-F37 HydrophobicContact CG1-CE1 4.21Å; V35-F37 HydrophobicContact CG1-CE2 4.44Å; V35-F37 HydrophobicContact CG1-CZ 4.18Å; F37-T262 HydrophobicContact CB-CG2 4.39Å; F37-T262 HydrophobicContact CD1-CG2 4.49Å; F37-T262 HydrophobicContact CD2-CG2 3.25Å; F37-T262 HydrophobicContact CE2-CG2 3.48Å; F37-T262 VanDerWaalsContact CE2-CG2 3.48Å; F37-T262 HydrophobicContact CG-CG2 3.8Å; F37-T262 HydrophobicContact CZ-CG2 4.18Å; F37-L265 HydrophobicContact CB-CD1 4.12Å; F37-F266 HydrophobicContact CB-CE1 4.41Å; F37-F266 HydrophobicContact CD1-CD1 4.48Å; F37-F266 AromaticContact CD1-CE1 3.35Å; F37-F266 HydrophobicContact CD1-CE1 3.35Å; F37-F266 AromaticContact CD1-CZ 3.74Å; F37-F266 HydrophobicContact CD1-CZ 3.74Å; F37-F266 AromaticContact CE1-CE1 3.61Å; F37-F266 HydrophobicContact CE1-CE1 3.61Å; F37-F266 AromaticContact CE1-CZ 3.45Å; F37-F266 HydrophobicContact CE1-CZ 3.45Å; F37-F266 VanDerWaalsContact CE1-CZ 3.45Å; F37-F266 AromaticContact CG-CE1 3.88Å; F37-F266 HydrophobicContact CG-CE1 3.88Å; F37-F266 HydrophobicContact CG-CZ 4.36Å; F37-F266 HydrophobicContact CZ-CE1 4.33Å; F37-F266 AromaticContact CZ-CZ 3.88Å; F37-F266 HydrophobicContact CZ-CZ 3.88Å; F37-A277 HydrophobicContact CD1-CB 4.33Å; F37-A277 HydrophobicContact CE1-CB 4.21Å; F37-C279 HydrophobicContact CD1-CB 3.96Å; F37-C279 HydrophobicContact CE1-CB 4.29Å; F37-F773 HydrophobicContact CD2-CB 3.88Å; F37-F773 HydrophobicContact CD2-CD1 4.46Å; F37-F773 HydrophobicContact CD2-CG 4.18Å; F37-F773 HydrophobicContact CE2-CB 4.01Å; F37-F773 AromaticContact CE2-CD1 3.93Å; F37-F773 HydrophobicContact CE2-CD1 3.93Å; F37-F773 HydrophobicContact CE2-CG 4.1Å
38	R	92.5	Very high	90.4	Very high	85 Å²	85	59 Å²	59	32%	0.321	31%	0.313	S	S	.	.			trans	-95.9	144.9	170.9	-171.7	-174.5	176.9	170.1	9.7	110.1	R12 L40 E278 E309	R12-R38 VanDerWaalsContact NH1-NH1 3.15Å; R38-L40 PolarHBondContact O-N 3.49Å; R38-E278 HydrophobicContact CB-CB 4.49Å; R38-E278 PolarHBondContact N-O 3.1Å; R38-E278 IonicContact NH1-OE2 3.21Å; R38-E309 IonicContact CZ-OE1 3.31Å; R38-E309 IonicContact CZ-OE2 3.66Å; R38-E309 IonicContact NH1-OE1 3.97Å; R38-E309 PolarHBondContact NH1-OE1 3.39Å; R38-E309 IonicContact NH1-OE2 3.39Å; R38-E309 PolarHBondContact NH1-OE2 3.46Å; R38-E309 IonicContact NH2-OE1 3.96Å; R38-E309 PolarHBondContact NH2-OE1 3.35Å; R38-E309 IonicContact NH2-OE2 3.22Å; R38-E309 PolarHBondContact NH2-OE2 3.04Å
39	D	93.2	Very high	90.5	Very high	52 Å²	52	56.3 Å²	56.3	28%	0.278	30%	0.299	S	S	.	.			trans	-72.8	114	167.9	-161.2	-12.6	0	0	0	110.6	N41 R49 L265	D39-N41 PolarHBondContact OD1-N 3.37Å; D39-R49 IonicContact OD1-CZ 2.75Å; D39-R49 IonicContact OD1-NH1 3.54Å; D39-R49 IonicContact OD1-NH2 2.7Å; D39-R49 PolarHBondContact OD1-NH2 3.01Å; D39-R49 IonicContact OD2-CZ 2.67Å; D39-R49 IonicContact OD2-NH1 2.67Å; D39-R49 PolarHBondContact OD2-NH1 3.44Å; D39-R49 IonicContact OD2-NH2 3.26Å; D39-R49 PolarHBondContact OD2-NH2 3.32Å; D39-L265 HydrophobicContact CB-CD2 3.78Å
40	L	91.8	Very high	90.5	Very high	39 Å²	39	61.5 Å²	61.5	20%	0.204	32%	0.321	C	S	.	.	S	Bend	trans	-88.2	-8.1	174.5	-64	176.3	0	0	0	113	R38 P42 L265 N267 I276 E278	R38-L40 PolarHBondContact O-N 3.49Å; L40-P42 WeakPolarHBondContact O-CD 3.41Å; L40-L265 WeakPolarHBondContact CB-O 3.37Å; L40-L265 PolarHBondContact N-O 3.34Å; L40-N267 HydrophobicContact CB-CB 4.12Å; L40-N267 HydrophobicContact CD1-CB 4.04Å; L40-I276 WeakPolarHBondContact CD1-O 3.46Å; L40-E278 HydrophobicContact CD1-CB 4.45Å; L40-E278 HydrophobicContact CD1-CG 4.18Å; L40-E278 HydrophobicContact CD2-CB 3.98Å; L40-E278 VanDerWaalsContact CD2-CD 3.43Å; L40-E278 HydrophobicContact CD2-CG 3.74Å; L40-E278 HydrophobicContact CG-CG 4.48Å
41	N	90.1	Very high	90.5	Very high	29 Å²	29	63 Å²	63	16%	0.155	33%	0.328	C	S	.	.			trans	-121.9	55.8	-176	-54.1	-49.3	0	0	0	111.9	D39 D43 V44 R49 N264 F266	D39-N41 PolarHBondContact OD1-N 3.37Å; N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.01Å; N41-V44 HydrophobicContact CB-CB 4.06Å; N41-V44 HydrophobicContact CB-CG2 4Å; N41-V44 PolarHBondContact O-N 3.32Å; N41-R49 PolarHBondContact O-NH2 2.81Å; N41-N264 PolarHBondContact ND2-O 2.92Å; N41-F266 PolarHBondContact ND2-O 2.95Å
42	P	90	Very high	90.7	Very high	95 Å²	95	61.9 Å²	61.9	62%	0.617	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.1	-178.3	28	-35	0	0	0	112.8	L40 V44	L40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-V44 VanDerWaalsContact C-N 3.26Å; P42-V44 PolarHBondContact O-N 3.03Å
43	D	90.7	Very high	90.9	Very high	156 Å²	156	63.4 Å²	63.4	83%	0.834	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.6	-179.1	-57.7	-38.4	0	0	0	113	N41	N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.01Å
44	V	90.5	Very high	91.1	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.309	34%	0.34	S	S	.	.	S	Bend	trans	-94.9	116.7	-176.7	-175.3	0	0	0	0	109.8	N41 P42 Q48 R49	N41-V44 HydrophobicContact CB-CB 4.06Å; N41-V44 HydrophobicContact CB-CG2 4Å; N41-V44 PolarHBondContact O-N 3.32Å; P42-V44 VanDerWaalsContact C-N 3.26Å; P42-V44 PolarHBondContact O-N 3.03Å; V44-Q48 HydrophobicContact CG1-CB 3.57Å; V44-R49 HydrophobicContact CG1-CG 4.08Å
45	T	91.4	Very high	91.2	Very high	61 Å²	61	64.8 Å²	64.8	37%	0.374	34%	0.338	S	S	.	.			trans	-58.9	150.4	175.6	61	0	0	0	0	111.8	F47 Q48	T45-F47 HydrophobicContact CG2-CE1 3.99Å; T45-F47 PolarHBondContact O-N 3.4Å; T45-F47 WeakPolarHBondContact OG1-CD1 3.49Å; T45-F47 WeakPolarHBondContact OG1-CE1 3.37Å; T45-F47 WeakPolarHBondContact OG1-CZ 3.45Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact OG1-CG 3.26Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.34Å; T45-Q48 PolarHBondContact OG1-OE1 3.2Å
46	A	87.6	Confident	91.3	Very high	76 Å²	76	73.3 Å²	73.3	63%	0.628	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.2	-175.3	0	0	0	0	0	114.4
47	F	89.3	Confident	91.2	Very high	147 Å²	147	75.9 Å²	75.9	65%	0.645	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.8	-180	73.4	-92.8	0	0	0	114.3	T45	T45-F47 HydrophobicContact CG2-CE1 3.99Å; T45-F47 PolarHBondContact O-N 3.4Å; T45-F47 WeakPolarHBondContact OG1-CD1 3.49Å; T45-F47 WeakPolarHBondContact OG1-CE1 3.37Å; T45-F47 WeakPolarHBondContact OG1-CZ 3.45Å
48	Q	90.6	Very high	91.1	Very high	114 Å²	114	74.8 Å²	74.8	53%	0.533	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-10.8	179.6	-69.3	169.8	-26	0	0	112.2	V44 T45	V44-Q48 HydrophobicContact CG1-CB 3.57Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact OG1-CG 3.26Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.34Å; T45-Q48 PolarHBondContact OG1-OE1 3.2Å
49	R	90.2	Very high	91.1	Very high	41 Å²	41	73.6 Å²	73.6	16%	0.155	37%	0.374	C	S	.	.	S	Bend	trans	-68.3	142.5	179.3	-59.6	-168.7	179.3	-166.4	-7.9	110.8	D39 N41 V44 F51 V52 N264	D39-R49 IonicContact OD1-CZ 2.75Å; D39-R49 IonicContact OD1-NH1 3.54Å; D39-R49 IonicContact OD1-NH2 2.7Å; D39-R49 PolarHBondContact OD1-NH2 3.01Å; D39-R49 IonicContact OD2-CZ 2.67Å; D39-R49 IonicContact OD2-NH1 2.67Å; D39-R49 PolarHBondContact OD2-NH1 3.44Å; D39-R49 IonicContact OD2-NH2 3.26Å; D39-R49 PolarHBondContact OD2-NH2 3.32Å; N41-R49 PolarHBondContact O-NH2 2.81Å; V44-R49 HydrophobicContact CG1-CG 4.08Å; R49-F51 PolarHBondContact O-N 3.25Å; R49-V52 WeakPolarHBondContact O-CB 3.17Å; R49-V52 VanDerWaalsContact O-CG1 3.28Å; R49-V52 WeakPolarHBondContact O-CG1 3.38Å; R49-V52 PolarHBondContact O-N 2.83Å; R49-N264 HydrophobicContact CB-CB 4.28Å; R49-N264 WeakPolarHBondContact CB-OD1 3.21Å
50	K	88	Confident	91	Very high	112 Å²	112	74.6 Å²	74.6	49%	0.487	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-45.4	-170.3	-175.9	-177.9	-172.9	177.2	0	113.7	V52 L268	K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 2.77Å; K50-L268 HydrophobicContact CD-CD2 4.03Å
51	F	90.8	Very high	91	Very high	32 Å²	32	72.8 Å²	72.8	14%	0.14	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	22.8	-174	-55.3	-80	0	0	0	113.1	R49 N53 E54 V55 Y260 L263 N264 L275	R49-F51 PolarHBondContact O-N 3.25Å; F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 2.79Å; F51-E54 VanDerWaalsContact C-OE2 3.24Å; F51-E54 WeakPolarHBondContact CA-OE2 3.32Å; F51-E54 PolarHBondContact O-N 2.74Å; F51-V55 WeakPolarHBondContact O-CG2 3.25Å; F51-V55 PolarHBondContact O-N 3.46Å; F51-V55 VanDerWaalsContact O-N 3.17Å; F51-Y260 HydrophobicContact CB-CD1 4.25Å; F51-Y260 HydrophobicContact CD1-CD1 4.18Å; F51-Y260 HydrophobicContact CD1-CE1 4.42Å; F51-Y260 HydrophobicContact CG-CD1 4.4Å; F51-L263 HydrophobicContact CD2-CB 3.75Å; F51-L263 HydrophobicContact CE2-CB 3.8Å; F51-L263 HydrophobicContact CG-CB 4.43Å; F51-N264 WeakPolarHBondContact CA-OD1 3.32Å; F51-N264 VanDerWaalsContact CB-OD1 3.26Å; F51-N264 WeakPolarHBondContact CB-OD1 3.35Å; F51-N264 PolarHBondContact N-OD1 3.46Å; F51-L275 HydrophobicContact CE2-CD1 4.47Å; F51-L275 HydrophobicContact CZ-CD1 4.35Å
52	V	92.5	Very high	91	Very high	42 Å²	42	71.9 Å²	71.9	26%	0.255	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-34.7	179.7	66.9	0	0	0	0	112.3	R49 K50 E54 V55 R56	R49-V52 WeakPolarHBondContact O-CB 3.17Å; R49-V52 VanDerWaalsContact O-CG1 3.28Å; R49-V52 WeakPolarHBondContact O-CG1 3.38Å; R49-V52 PolarHBondContact O-N 2.83Å; K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 2.77Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.26Å; V52-V55 PolarHBondContact O-N 3.3Å; V52-R56 WeakPolarHBondContact O-CB 3.22Å; V52-R56 PolarHBondContact O-N 2.79Å
53	N	92.8	Very high	91	Very high	104 Å²	104	74.5 Å²	74.5	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-67.5	-38.7	-178.3	-70	-37.4	0	0	0	111.1	F51 R56 R57	F51-N53 VanDerWaalsContact C-N 3.28Å; F51-N53 PolarHBondContact O-N 2.79Å; N53-R56 PolarHBondContact O-N 3.44Å; N53-R57 VanDerWaalsContact O-CG 3.31Å; N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 3.35Å
54	E	92	Very high	90.9	Very high	51 Å²	51	69.4 Å²	69.4	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-68.1	-44.5	177	-66.5	78.4	-179.5	0	0	111	F51 V52 R56 R57 C58 Y260	F51-E54 VanDerWaalsContact C-OE2 3.24Å; F51-E54 WeakPolarHBondContact CA-OE2 3.32Å; F51-E54 PolarHBondContact O-N 2.74Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.26Å; E54-R56 VanDerWaalsContact C-N 3.35Å; E54-R56 PolarHBondContact O-N 2.87Å; E54-R57 WeakPolarHBondContact O-CB 3.3Å; E54-R57 PolarHBondContact O-N 2.65Å; E54-C58 PolarHBondContact O-N 3.45Å; E54-C58 PolarHBondContact O-SG 3.03Å; E54-Y260 HydrophobicContact CB-CD1 3.8Å; E54-Y260 HydrophobicContact CB-CD2 3.81Å; E54-Y260 HydrophobicContact CB-CE1 3.94Å; E54-Y260 HydrophobicContact CB-CE2 3.93Å; E54-Y260 HydrophobicContact CB-CG 3.74Å; E54-Y260 HydrophobicContact CG-CD1 4.16Å; E54-Y260 HydrophobicContact CG-CE1 3.87Å; E54-Y260 HydrophobicContact CG-CE2 4.38Å
55	V	92.2	Very high	90.9	Very high	21 Å²	21	67 Å²	67	13%	0.127	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-46	173.4	176.4	0	0	0	0	110.6	F51 V52 R57 C58 D59	F51-V55 WeakPolarHBondContact O-CG2 3.25Å; F51-V55 PolarHBondContact O-N 3.46Å; F51-V55 VanDerWaalsContact O-N 3.17Å; V52-V55 PolarHBondContact O-N 3.3Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 2.8Å; V55-C58 WeakPolarHBondContact O-CA 3.26Å; V55-C58 WeakPolarHBondContact O-CB 3.38Å; V55-C58 PolarHBondContact O-N 3.27Å; V55-C58 VanDerWaalsContact O-N 3.08Å; V55-D59 PolarHBondContact O-N 3.46Å
56	R	92.7	Very high	90.7	Very high	181 Å²	181	68 Å²	68	68%	0.683	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-37.5	177.2	-174.7	179	176.9	-175.5	0.5	112.7	V52 N53 E54 C58 D59 E60	V52-R56 WeakPolarHBondContact O-CB 3.22Å; V52-R56 PolarHBondContact O-N 2.79Å; N53-R56 PolarHBondContact O-N 3.44Å; E54-R56 VanDerWaalsContact C-N 3.35Å; E54-R56 PolarHBondContact O-N 2.87Å; R56-C58 VanDerWaalsContact C-N 3.34Å; R56-D59 PolarHBondContact O-N 2.92Å; R56-E60 PolarHBondContact O-N 2.98Å
57	R	92.4	Very high	90.7	Very high	81 Å²	81	68 Å²	68	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-42	172.9	-77.8	173.7	69.7	-168.3	0.5	111	N53 E54 V55 E60 M61 E98	N53-R57 VanDerWaalsContact O-CG 3.31Å; N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 3.35Å; E54-R57 WeakPolarHBondContact O-CB 3.3Å; E54-R57 PolarHBondContact O-N 2.65Å; V55-R57 VanDerWaalsContact C-N 3.33Å; V55-R57 PolarHBondContact O-N 2.8Å; R57-E60 PolarHBondContact O-N 2.9Å; R57-M61 WeakPolarHBondContact O-CG 3.37Å; R57-M61 PolarHBondContact O-N 2.94Å; R57-E98 IonicContact CZ-OE2 3.53Å; R57-E98 VanDerWaalsContact CZ-OE2 3.22Å; R57-E98 IonicContact NE-OE2 3.97Å; R57-E98 PolarHBondContact NE-OE2 2.82Å; R57-E98 IonicContact NH2-OE2 2.71Å; R57-E98 PolarHBondContact NH2-OE2 2.97Å
58	C	92.5	Very high	90.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-44.4	174.8	-61.9	0	0	0	0	111.8	E54 V55 R56 E60 M61 E62 V253 K257	E54-C58 PolarHBondContact O-N 3.45Å; E54-C58 PolarHBondContact O-SG 3.03Å; V55-C58 WeakPolarHBondContact O-CA 3.26Å; V55-C58 WeakPolarHBondContact O-CB 3.38Å; V55-C58 PolarHBondContact O-N 3.27Å; V55-C58 VanDerWaalsContact O-N 3.08Å; R56-C58 VanDerWaalsContact C-N 3.34Å; C58-E60 VanDerWaalsContact C-N 3.3Å; C58-E60 PolarHBondContact O-N 3.41Å; C58-M61 HydrophobicContact CB-CE 4.38Å; C58-M61 WeakPolarHBondContact O-CB 3.3Å; C58-M61 PolarHBondContact O-N 3.45Å; C58-M61 VanDerWaalsContact O-N 3.14Å; C58-E62 WeakPolarHBondContact O-CG 3.48Å; C58-E62 PolarHBondContact O-N 3.36Å; C58-V253 HydrophobicContact CB-CG1 4.34Å; C58-K257 HydrophobicContact CB-CB 3.82Å; C58-K257 HydrophobicContact CB-CD 4.5Å; C58-K257 HydrophobicContact CB-CG 4.2Å
59	D	92.2	Very high	90.4	Very high	61 Å²	61	57.2 Å²	57.2	33%	0.326	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-38.3	175.6	-71.3	-31.1	0	0	0	112.6	V55 R56 E62 R63 K257	V55-D59 PolarHBondContact O-N 3.46Å; R56-D59 PolarHBondContact O-N 2.92Å; D59-E62 PolarHBondContact O-N 3.5Å; D59-R63 WeakPolarHBondContact O-CB 3.31Å; D59-R63 PolarHBondContact O-N 3.33Å; D59-K257 WeakPolarHBondContact OD1-CE 3.47Å; D59-K257 IonicContact OD1-NZ 2.72Å; D59-K257 PolarHBondContact OD1-NZ 3.07Å
60	E	91.2	Very high	90.2	Very high	72 Å²	72	62.1 Å²	62.1	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-40.3	175.4	-162.9	-168	145.9	0	0	111.8	R56 R57 C58 R63 K64	R56-E60 PolarHBondContact O-N 2.98Å; R57-E60 PolarHBondContact O-N 2.9Å; C58-E60 VanDerWaalsContact C-N 3.3Å; C58-E60 PolarHBondContact O-N 3.41Å; E60-R63 PolarHBondContact O-N 3.14Å; E60-K64 WeakPolarHBondContact O-CG 3.33Å; E60-K64 PolarHBondContact O-N 3.17Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 2.65Å; E60-K64 PolarHBondContact OE1-NZ 2.73Å
61	M	90.6	Very high	90	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-45	174.3	-71.3	-173.5	-66.3	0	0	111.6	R57 C58 R63 K64 L65 M94 E98 L101 V253	R57-M61 WeakPolarHBondContact O-CG 3.37Å; R57-M61 PolarHBondContact O-N 2.94Å; C58-M61 HydrophobicContact CB-CE 4.38Å; C58-M61 WeakPolarHBondContact O-CB 3.3Å; C58-M61 PolarHBondContact O-N 3.45Å; C58-M61 VanDerWaalsContact O-N 3.14Å; M61-R63 VanDerWaalsContact C-N 3.29Å; M61-R63 PolarHBondContact O-N 3.44Å; M61-K64 WeakPolarHBondContact O-CB 3.49Å; M61-K64 PolarHBondContact O-N 3.03Å; M61-K64 VanDerWaalsContact O-N 3.15Å; M61-L65 WeakPolarHBondContact O-CG 3.48Å; M61-L65 PolarHBondContact O-N 3.2Å; M61-M94 HydrophobicContact CE-CG 3.71Å; M61-M94 HydrophobicContact CE-SD 4.27Å; M61-E98 HydrophobicContact CG-CG 4.41Å; M61-E98 HydrophobicContact SD-CB 3.8Å; M61-E98 HydrophobicContact SD-CG 4.27Å; M61-L101 HydrophobicContact CB-CD1 3.93Å; M61-L101 HydrophobicContact CG-CD1 4.04Å; M61-L101 HydrophobicContact SD-CD1 4.44Å; M61-V253 HydrophobicContact CB-CG1 4.14Å; M61-V253 HydrophobicContact CB-CG2 4.23Å; M61-V253 HydrophobicContact CE-CG1 4.47Å; M61-V253 HydrophobicContact CE-CG2 4.45Å
62	E	90.5	Very high	89.8	Confident	10 Å²	10	56.1 Å²	56.1	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-41.6	173.3	-72	-171.1	175.9	0	0	111.5	C58 D59 K64 L65 R66 V253 K257	C58-E62 WeakPolarHBondContact O-CG 3.48Å; C58-E62 PolarHBondContact O-N 3.36Å; D59-E62 PolarHBondContact O-N 3.5Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 2.95Å; E62-L65 PolarHBondContact O-N 2.89Å; E62-R66 WeakPolarHBondContact O-CB 3.37Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3Å; E62-R66 IonicContact OE2-CZ 3.23Å; E62-R66 IonicContact OE2-NH1 2.74Å; E62-R66 PolarHBondContact OE2-NH1 2.93Å; E62-R66 IonicContact OE2-NH2 2.83Å; E62-R66 PolarHBondContact OE2-NH2 3.49Å; E62-V253 HydrophobicContact CG-CG1 3.54Å; E62-K257 WeakPolarHBondContact OE1-CD 3.33Å; E62-K257 IonicContact OE1-NZ 3.3Å; E62-K257 PolarHBondContact OE1-NZ 3.31Å; E62-K257 IonicContact OE2-NZ 3.15Å; E62-K257 PolarHBondContact OE2-NZ 3.08Å
63	R	89.9	Confident	89.5	Confident	150 Å²	150	59 Å²	59	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-61.7	-41.4	176.2	-175	-178.7	66.6	163.8	0.3	111.7	D59 E60 M61 F67	D59-R63 WeakPolarHBondContact O-CB 3.31Å; D59-R63 PolarHBondContact O-N 3.33Å; E60-R63 PolarHBondContact O-N 3.14Å; M61-R63 VanDerWaalsContact C-N 3.29Å; M61-R63 PolarHBondContact O-N 3.44Å; R63-F67 PolarHBondContact O-N 3.24Å
64	K	89.1	Confident	89.1	Confident	49 Å²	49	60.5 Å²	60.5	21%	0.213	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-42.3	174.7	-72.4	172	-174	163.2	0	111.4	E60 M61 E62 F67 L68	E60-K64 WeakPolarHBondContact O-CG 3.33Å; E60-K64 PolarHBondContact O-N 3.17Å; E60-K64 WeakPolarHBondContact OE1-CE 3.38Å; E60-K64 IonicContact OE1-NZ 2.65Å; E60-K64 PolarHBondContact OE1-NZ 2.73Å; M61-K64 WeakPolarHBondContact O-CB 3.49Å; M61-K64 PolarHBondContact O-N 3.03Å; M61-K64 VanDerWaalsContact O-N 3.15Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 PolarHBondContact O-N 2.95Å; K64-F67 WeakPolarHBondContact O-CB 3.41Å; K64-F67 PolarHBondContact O-N 3.43Å; K64-L68 WeakPolarHBondContact O-CG 3.48Å; K64-L68 PolarHBondContact O-N 3.46Å
65	L	89.5	Confident	88.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-46.2	175.5	-72.5	171.1	0	0	0	111.8	M61 E62 F67 L68 E69 L101 I246 W249 F250 V253	M61-L65 WeakPolarHBondContact O-CG 3.48Å; M61-L65 PolarHBondContact O-N 3.2Å; E62-L65 PolarHBondContact O-N 2.89Å; L65-F67 PolarHBondContact O-N 3.43Å; L65-L68 PolarHBondContact O-N 3.48Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L65-E69 WeakPolarHBondContact O-CB 3.35Å; L65-E69 PolarHBondContact O-N 3.36Å; L65-L101 HydrophobicContact CD1-CD1 4.47Å; L65-L101 HydrophobicContact CD2-CD1 4.26Å; L65-L101 HydrophobicContact CD2-CD2 3.59Å; L65-L101 HydrophobicContact CG-CD1 4.06Å; L65-L101 HydrophobicContact CG-CD2 4.17Å; L65-I246 HydrophobicContact CD2-CG1 4.41Å; L65-W249 HydrophobicContact CD1-CB 4.18Å; L65-W249 HydrophobicContact CD2-CB 3.75Å; L65-W249 HydrophobicContact CD2-CE3 3.89Å; L65-F250 HydrophobicContact CB-CD1 4.17Å; L65-F250 HydrophobicContact CB-CD2 4.27Å; L65-F250 HydrophobicContact CB-CE1 3.71Å; L65-F250 HydrophobicContact CB-CE2 3.83Å; L65-F250 HydrophobicContact CB-CG 4.44Å; L65-F250 HydrophobicContact CB-CZ 3.54Å; L65-F250 HydrophobicContact CD1-CD1 4.16Å; L65-F250 HydrophobicContact CD1-CE1 4.49Å; L65-F250 HydrophobicContact CD1-CG 4.27Å; L65-V253 HydrophobicContact CD1-CB 4.22Å; L65-V253 HydrophobicContact CD1-CG2 3.83Å
66	R	88.9	Confident	88.4	Confident	82 Å²	82	67.8 Å²	67.8	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-30.3	173.7	-76.2	-171.7	-77.8	-96.4	-4.3	112.9	E62 R70 F250	E62-R66 WeakPolarHBondContact O-CB 3.37Å; E62-R66 WeakPolarHBondContact O-CG 3.48Å; E62-R66 PolarHBondContact O-N 3Å; E62-R66 IonicContact OE2-CZ 3.23Å; E62-R66 IonicContact OE2-NH1 2.74Å; E62-R66 PolarHBondContact OE2-NH1 2.93Å; E62-R66 IonicContact OE2-NH2 2.83Å; E62-R66 PolarHBondContact OE2-NH2 3.49Å; R66-R70 WeakPolarHBondContact O-CG 3.24Å; R66-R70 PolarHBondContact O-N 2.83Å; R66-R70 PolarHBondContact O-NE 2.85Å; R66-F250 HydrophobicContact CB-CZ 4.46Å; R66-F250 HydrophobicContact CG-CE1 3.95Å; R66-F250 HydrophobicContact CG-CZ 3.82Å
67	F	86	Confident	88	Confident	78 Å²	78	60.4 Å²	60.4	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-48.8	172.3	177.9	-98	0	0	0	111	R63 K64 L65 E69 R70 E71 N107	R63-F67 PolarHBondContact O-N 3.24Å; K64-F67 WeakPolarHBondContact O-CB 3.41Å; K64-F67 PolarHBondContact O-N 3.43Å; L65-F67 PolarHBondContact O-N 3.43Å; F67-E69 VanDerWaalsContact C-N 3.3Å; F67-E69 PolarHBondContact O-N 2.91Å; F67-R70 WeakPolarHBondContact O-CB 3.35Å; F67-R70 PolarHBondContact O-N 3.36Å; F67-R70 VanDerWaalsContact O-N 3.17Å; F67-E71 HydrophobicContact CD1-CG 4.31Å; F67-E71 HydrophobicContact CE1-CG 3.91Å; F67-E71 HydrophobicContact CE2-CG 4.47Å; F67-E71 HydrophobicContact CZ-CG 4Å; F67-E71 WeakPolarHBondContact O-CG 3.28Å; F67-E71 PolarHBondContact O-N 3.35Å; F67-N107 WeakPolarHBondContact CE1-ND2 3.19Å
68	L	86.6	Confident	87.4	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-41.3	176.5	-71.1	172	0	0	0	112.3	K64 L65 R70 E71 I72 L101 I104 I246	K64-L68 WeakPolarHBondContact O-CG 3.48Å; K64-L68 PolarHBondContact O-N 3.46Å; L65-L68 PolarHBondContact O-N 3.48Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 2.95Å; L68-E71 PolarHBondContact O-N 3.34Å; L68-I72 WeakPolarHBondContact O-CB 3.46Å; L68-I72 WeakPolarHBondContact O-CD1 3.45Å; L68-I72 VanDerWaalsContact O-CG1 3.22Å; L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 3.1Å; L68-L101 HydrophobicContact CD1-CD2 3.86Å; L68-I104 HydrophobicContact CD1-CD1 4.35Å; L68-I104 HydrophobicContact CD1-CG2 4.16Å; L68-I104 HydrophobicContact CD2-CG2 3.5Å; L68-I104 VanDerWaalsContact CD2-CG2 3.5Å; L68-I104 HydrophobicContact CG-CG2 4.49Å; L68-I246 HydrophobicContact CB-CD1 4.17Å
69	E	87	Confident	86.6	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.093	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-43.5	176.7	-166.1	-166.7	164.4	0	0	111.9	L65 F67 E71 I72 K73 M79 I246 F250	L65-E69 WeakPolarHBondContact O-CB 3.35Å; L65-E69 PolarHBondContact O-N 3.36Å; F67-E69 VanDerWaalsContact C-N 3.3Å; F67-E69 PolarHBondContact O-N 2.91Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 2.96Å; E69-I72 PolarHBondContact O-N 2.83Å; E69-K73 HydrophobicContact CG-CD 4.43Å; E69-K73 WeakPolarHBondContact O-CB 3.22Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.25Å; E69-K73 VanDerWaalsContact OE1-CE 3.28Å; E69-K73 WeakPolarHBondContact OE1-CE 3.27Å; E69-K73 IonicContact OE1-NZ 3.02Å; E69-K73 PolarHBondContact OE1-NZ 2.8Å; E69-M79 HydrophobicContact CB-CE 4.46Å; E69-M79 HydrophobicContact CG-CE 3.43Å; E69-M79 VanDerWaalsContact CG-CE 3.43Å; E69-M79 HydrophobicContact CG-SD 4.24Å; E69-I246 HydrophobicContact CB-CD1 3.72Å; E69-I246 HydrophobicContact CG-CD1 4.23Å; E69-F250 HydrophobicContact CB-CE2 4.22Å; E69-F250 HydrophobicContact CG-CE2 4.48Å
70	R	86.2	Confident	85.6	Confident	144 Å²	144	66 Å²	66	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-41.3	174.5	-78.4	-178.9	-78.4	165.4	-6.5	111.6	R66 F67 L68 K73 K74	R66-R70 WeakPolarHBondContact O-CG 3.24Å; R66-R70 PolarHBondContact O-N 2.83Å; R66-R70 PolarHBondContact O-NE 2.85Å; F67-R70 WeakPolarHBondContact O-CB 3.35Å; F67-R70 PolarHBondContact O-N 3.36Å; F67-R70 VanDerWaalsContact O-N 3.17Å; L68-R70 VanDerWaalsContact C-N 3.33Å; L68-R70 PolarHBondContact O-N 2.95Å; R70-K73 PolarHBondContact O-N 3.41Å; R70-K74 VanDerWaalsContact O-CG 3.31Å; R70-K74 WeakPolarHBondContact O-CG 3.46Å; R70-K74 PolarHBondContact O-N 3.5Å
71	E	83.8	Confident	84.5	Confident	18 Å²	18	66 Å²	66	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-39.2	176.5	-65	-63	113.7	0	0	112.4	F67 L68 E69 K74 D75 N107 L239	F67-E71 HydrophobicContact CD1-CG 4.31Å; F67-E71 HydrophobicContact CE1-CG 3.91Å; F67-E71 HydrophobicContact CE2-CG 4.47Å; F67-E71 HydrophobicContact CZ-CG 4Å; F67-E71 WeakPolarHBondContact O-CG 3.28Å; F67-E71 PolarHBondContact O-N 3.35Å; L68-E71 PolarHBondContact O-N 3.34Å; E69-E71 VanDerWaalsContact C-N 3.34Å; E69-E71 PolarHBondContact O-N 2.96Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.49Å; E71-K74 WeakPolarHBondContact OE1-CD 3.32Å; E71-K74 WeakPolarHBondContact OE1-CE 3.23Å; E71-K74 IonicContact OE1-NZ 2.77Å; E71-K74 PolarHBondContact OE1-NZ 3.2Å; E71-D75 PolarHBondContact O-N 3.28Å; E71-N107 PolarHBondContact OE2-ND2 3.4Å; E71-L239 HydrophobicContact CB-CD2 4.25Å
72	I	87	Confident	83.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-43.3	174.4	-69.3	163.9	0	0	0	110.7	L68 E69 K74 D75 H76 I77 M79 L239 A242 A243 I246	L68-I72 WeakPolarHBondContact O-CB 3.46Å; L68-I72 WeakPolarHBondContact O-CD1 3.45Å; L68-I72 VanDerWaalsContact O-CG1 3.22Å; L68-I72 WeakPolarHBondContact O-CG1 3.38Å; L68-I72 PolarHBondContact O-N 3.1Å; E69-I72 PolarHBondContact O-N 2.83Å; I72-K74 VanDerWaalsContact C-N 3.34Å; I72-D75 PolarHBondContact O-N 2.82Å; I72-H76 PolarHBondContact O-N 2.93Å; I72-I77 HydrophobicContact CG2-CB 3.84Å; I72-I77 HydrophobicContact CG2-CG2 4.18Å; I72-I77 PolarHBondContact O-N 2.83Å; I72-I77 VanDerWaalsContact O-N 3.12Å; I72-M79 HydrophobicContact CB-CE 3.97Å; I72-M79 HydrophobicContact CG2-CE 3.54Å; I72-M79 HydrophobicContact CG2-CG 3.99Å; I72-L239 HydrophobicContact CG1-CB 4.49Å; I72-L239 HydrophobicContact CG1-CD2 4.07Å; I72-A242 HydrophobicContact CD1-CB 4.46Å; I72-A243 HydrophobicContact CD1-CB 4.02Å; I72-A243 HydrophobicContact CG1-CB 4.34Å; I72-A243 HydrophobicContact CG2-CB 3.86Å; I72-I246 HydrophobicContact CD1-CB 4.48Å; I72-I246 HydrophobicContact CD1-CD1 3.58Å; I72-I246 HydrophobicContact CD1-CG2 4.49Å
73	K	86.5	Confident	82.1	Confident	104 Å²	104	72.4 Å²	72.4	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-38.3	175.7	-75.4	176	171.7	167.6	0	111.1	E69 R70 H76 M79 D788	E69-K73 HydrophobicContact CG-CD 4.43Å; E69-K73 WeakPolarHBondContact O-CB 3.22Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E69-K73 PolarHBondContact O-N 3.25Å; E69-K73 VanDerWaalsContact OE1-CE 3.28Å; E69-K73 WeakPolarHBondContact OE1-CE 3.27Å; E69-K73 IonicContact OE1-NZ 3.02Å; E69-K73 PolarHBondContact OE1-NZ 2.8Å; R70-K73 PolarHBondContact O-N 3.41Å; K73-H76 PolarHBondContact O-N 2.84Å; K73-M79 HydrophobicContact CD-CE 4.33Å; K73-M79 HydrophobicContact CG-CE 3.71Å; K73-D788 IonicContact NZ-OD1 3.79Å; K73-D788 PolarHBondContact NZ-OD1 3.19Å
74	K	84.7	Confident	81	Confident	134 Å²	134	72.6 Å²	72.6	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-64.1	-41.8	175	-76.4	175.5	-175.2	174.5	0	113.2	R70 E71 I72 H76	R70-K74 VanDerWaalsContact O-CG 3.31Å; R70-K74 WeakPolarHBondContact O-CG 3.46Å; R70-K74 PolarHBondContact O-N 3.5Å; E71-K74 WeakPolarHBondContact O-CB 3.45Å; E71-K74 PolarHBondContact O-N 3.49Å; E71-K74 WeakPolarHBondContact OE1-CD 3.32Å; E71-K74 WeakPolarHBondContact OE1-CE 3.23Å; E71-K74 IonicContact OE1-NZ 2.77Å; E71-K74 PolarHBondContact OE1-NZ 3.2Å; I72-K74 VanDerWaalsContact C-N 3.34Å; K74-H76 PolarHBondContact O-N 2.74Å
75	D	83.2	Confident	80.3	Confident	52 Å²	52	73.3 Å²	73.3	28%	0.278	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	10.6	178.2	-81.1	7.3	0	0	0	112.8	E71 I72 I77 R235 L239	E71-D75 PolarHBondContact O-N 3.28Å; I72-D75 PolarHBondContact O-N 2.82Å; D75-I77 HydrophobicContact CB-CD1 3.95Å; D75-I77 HydrophobicContact CB-CG1 4.09Å; D75-I77 PolarHBondContact O-N 3.31Å; D75-I77 VanDerWaalsContact O-N 3.17Å; D75-R235 IonicContact OD1-NH2 3.23Å; D75-R235 PolarHBondContact OD1-NH2 2.76Å; D75-R235 VanDerWaalsContact OD1-NH2 3.09Å; D75-R235 IonicContact OD2-CZ 3.87Å; D75-R235 IonicContact OD2-NE 3.82Å; D75-R235 IonicContact OD2-NH2 2.74Å; D75-R235 PolarHBondContact OD2-NH2 3.31Å; D75-L239 VanDerWaalsContact OD2-CD1 3.31Å; D75-L239 WeakPolarHBondContact OD2-CD1 3.33Å
76	H	85.7	Confident	79.8	Confident	174 Å²	174	74.7 Å²	74.7	81%	0.806	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31	179.9	-59.1	-59.2	0	0	0	114.8	I72 K73 K74	I72-H76 PolarHBondContact O-N 2.93Å; K73-H76 PolarHBondContact O-N 2.84Å; K74-H76 PolarHBondContact O-N 2.74Å
77	I	83.8	Confident	79.4	Confident	25 Å²	25	77.1 Å²	77.1	13%	0.128	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-82.5	125.3	179.7	-60.6	166.5	0	0	0	109.2	I72 D75 M79 L239 V240 A243	I72-I77 HydrophobicContact CG2-CB 3.84Å; I72-I77 HydrophobicContact CG2-CG2 4.18Å; I72-I77 PolarHBondContact O-N 2.83Å; I72-I77 VanDerWaalsContact O-N 3.12Å; D75-I77 HydrophobicContact CB-CD1 3.95Å; D75-I77 HydrophobicContact CB-CG1 4.09Å; D75-I77 PolarHBondContact O-N 3.31Å; D75-I77 VanDerWaalsContact O-N 3.17Å; I77-M79 PolarHBondContact O-N 3.46Å; I77-L239 HydrophobicContact CD1-CB 3.64Å; I77-V240 HydrophobicContact CD1-CG2 3.95Å; I77-V240 HydrophobicContact CG1-CG2 4.35Å; I77-V240 HydrophobicContact CG2-CG2 4.34Å; I77-A243 HydrophobicContact CG2-CB 3.53Å
78	T	80	Confident	79.3	Confident	119 Å²	119	74.2 Å²	74.2	73%	0.73	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-70.5	124	176.6	55.2	0	0	0	0	110.9
79	M	76.7	Confident	79.2	Confident	36 Å²	36	73.7 Å²	73.7	18%	0.177	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-80.1	127.8	172.9	-60.2	170.2	-169.9	0	0	109.7	E69 I72 K73 I77 I246	E69-M79 HydrophobicContact CB-CE 4.46Å; E69-M79 HydrophobicContact CG-CE 3.43Å; E69-M79 VanDerWaalsContact CG-CE 3.43Å; E69-M79 HydrophobicContact CG-SD 4.24Å; I72-M79 HydrophobicContact CB-CE 3.97Å; I72-M79 HydrophobicContact CG2-CE 3.54Å; I72-M79 HydrophobicContact CG2-CG 3.99Å; K73-M79 HydrophobicContact CD-CE 4.33Å; K73-M79 HydrophobicContact CG-CE 3.71Å; I77-M79 PolarHBondContact O-N 3.46Å; M79-I246 HydrophobicContact CG-CG2 4.28Å; M79-I246 HydrophobicContact SD-CG2 4.33Å
80	L	71.8	Confident	79.1	Confident	104 Å²	104	79.3 Å²	79.3	55%	0.545	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-80.1	126.4	173.9	-86.7	134.9	0	0	0	109.9	K244	L80-K244 HydrophobicContact CD1-CG 4.27Å
81	D	67.5	Low	79	Confident	73 Å²	73	74.1 Å²	74.1	39%	0.39	40%	0.399	S	S	.	.			trans	-97.5	107.9	165.4	-150	7.4	0	0	0	107.6	G83 R247 K384	D81-G83 PolarHBondContact O-N 3.1Å; D81-R247 IonicContact OD1-NH1 3.91Å; D81-R247 PolarHBondContact OD1-NH1 2.89Å; D81-R247 IonicContact OD2-NH1 3.49Å; D81-R247 PolarHBondContact OD2-NH1 3.18Å; D81-K384 IonicContact OD2-NZ 3.97Å; D81-K384 PolarHBondContact OD2-NZ 3.15Å
82	T	64.5	Low	79	Confident	83 Å²	83	82.6 Å²	82.6	51%	0.509	43%	0.43	S	S	.	.			trans	-73.1	-13.6	173.7	49	0	0	0	0	111.8	E84	T82-E84 PolarHBondContact O-N 2.77Å; T82-E84 VanDerWaalsContact O-N 3.13Å
83	G	66.6	Low	78.9	Confident	62 Å²	62	85.7 Å²	85.7	64%	0.639	44%	0.444	S	S	*	.			trans	72.6	-6.6	-177.2	0	0	0	0	0	114.1	D81	D81-G83 PolarHBondContact O-N 3.1Å
84	E	66.5	Low	78.8	Confident	155 Å²	155	81 Å²	81	72%	0.724	42%	0.424	S	S	*	.			trans	-88.2	117.4	176.2	-66.6	178	173.4	0	0	109.3	T82 P86	T82-E84 PolarHBondContact O-N 2.77Å; T82-E84 VanDerWaalsContact O-N 3.13Å; E84-P86 WeakPolarHBondContact O-CD 3.41Å
85	N	73.2	Confident	78.9	Confident	63 Å²	63	78.7 Å²	78.7	34%	0.337	42%	0.417	S	S	.	.			trans	-77.4	115.3	167.6	-75.7	-12.7	0	0	0	107.1	D776 R783	N85-D776 PolarHBondContact ND2-OD1 2.87Å; N85-R783 PolarHBondContact OD1-NH2 3.38Å
86	P	79.9	Confident	79.1	Confident	29 Å²	29	81.2 Å²	81.2	19%	0.188	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-64.3	146.9	176.7	28.8	-37.3	0	0	0	110.4	E84 I248 T251 K252 K255	E84-P86 WeakPolarHBondContact O-CD 3.41Å; P86-I248 HydrophobicContact CB-CG2 4.4Å; P86-I248 HydrophobicContact CG-CG2 4.05Å; P86-T251 HydrophobicContact CG-CG2 3.84Å; P86-K252 HydrophobicContact CG-CG 4.29Å; P86-K255 WeakPolarHBondContact O-CE 3.47Å; P86-K255 PolarHBondContact O-NZ 2.8Å
87	D	81.2	Confident	79.1	Confident	133 Å²	133	73.7 Å²	73.7	71%	0.711	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-57.4	154.3	170.3	-60.4	-29.7	0	0	0	110.8
88	A	82	Confident	79.3	Confident	17 Å²	17	73.5 Å²	73.5	14%	0.14	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-57.6	124.6	178.5	0	0	0	0	0	111.3	S27 E31 K255 F775	S27-A88 WeakPolarHBondContact OG-CB 3.36Å; E31-A88 VanDerWaalsContact OE1-CB 3.3Å; E31-A88 WeakPolarHBondContact OE1-CB 3.35Å; E31-A88 PolarHBondContact OE1-N 3.28Å; A88-K255 HydrophobicContact CB-CD 4.04Å; A88-F775 HydrophobicContact CB-CD2 4.4Å; A88-F775 HydrophobicContact CB-CE2 3.65Å; A88-F775 HydrophobicContact CB-CZ 4.07Å
89	P	86	Confident	79.6	Confident	3 Å²	3	71 Å²	71	2%	0.019	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-76	149.1	-173.7	32	-37.4	0	0	0	111.5	Y23 E93 K252 I256	Y23-P89 VanDerWaalsContact CE1-O 3.31Å; Y23-P89 WeakPolarHBondContact CE1-O 3.4Å; Y23-P89 PolarHBondContact OH-O 2.8Å; P89-E93 HydrophobicContact CB-CB 4.14Å; P89-E93 HydrophobicContact CB-CG 4.48Å; P89-E93 VanDerWaalsContact CB-OE2 3.28Å; P89-E93 WeakPolarHBondContact CB-OE2 3.4Å; P89-K252 HydrophobicContact CB-CD 4.2Å; P89-K252 HydrophobicContact CB-CG 4.36Å; P89-K252 HydrophobicContact CG-CB 4.04Å; P89-K252 HydrophobicContact CG-CD 4.38Å; P89-K252 HydrophobicContact CG-CG 4.06Å; P89-I256 HydrophobicContact CG-CD1 3.61Å; P89-I256 HydrophobicContact CG-CG1 3.5Å
90	Q	85.1	Confident	80	Confident	137 Å²	137	71.8 Å²	71.8	64%	0.64	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-63.6	150.9	172	-64.6	-172.5	-0.6	0	0	111.3	R92 E93	Q90-R92 PolarHBondContact O-N 2.93Å; Q90-E93 WeakPolarHBondContact O-CB 3.5Å; Q90-E93 PolarHBondContact O-N 2.85Å
91	A	82.5	Confident	80.6	Confident	35 Å²	35	67.2 Å²	67.2	29%	0.289	36%	0.364	S	S	.	.	H	α-helix	trans	-55.3	-28	-177.9	0	0	0	0	0	114.1	Y23 M94	Y23-A91 HydrophobicContact CD1-CB 3.94Å; Y23-A91 HydrophobicContact CD2-CB 4Å; Y23-A91 HydrophobicContact CE1-CB 3.95Å; Y23-A91 VanDerWaalsContact CE1-N 3.32Å; Y23-A91 HydrophobicContact CE2-CB 3.98Å; Y23-A91 HydrophobicContact CG-CB 3.98Å; A91-M94 VanDerWaalsContact O-CB 3.29Å; A91-M94 WeakPolarHBondContact O-CB 3.33Å; A91-M94 PolarHBondContact O-N 2.9Å
92	R	85.5	Confident	81.3	Confident	196 Å²	196	69.1 Å²	69.1	74%	0.74	37%	0.369	S	S	*	.	H	α-helix	trans	-67.3	-36.6	177.2	-67.7	-177.8	-179.1	176.3	2	112.6	Q90 M94 I95	Q90-R92 PolarHBondContact O-N 2.93Å; R92-M94 PolarHBondContact O-N 3.26Å; R92-I95 WeakPolarHBondContact O-CB 3.05Å; R92-I95 PolarHBondContact O-N 3.47Å
93	E	84.5	Confident	81.9	Confident	65 Å²	65	74.9 Å²	74.9	30%	0.304	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-25.7	179.6	-65.2	-172.3	-160.1	0	0	112.2	P89 Q90 I95 D96 L97 K252	P89-E93 HydrophobicContact CB-CB 4.14Å; P89-E93 HydrophobicContact CB-CG 4.48Å; P89-E93 VanDerWaalsContact CB-OE2 3.28Å; P89-E93 WeakPolarHBondContact CB-OE2 3.4Å; Q90-E93 WeakPolarHBondContact O-CB 3.5Å; Q90-E93 PolarHBondContact O-N 2.85Å; E93-I95 PolarHBondContact O-N 3.11Å; E93-D96 PolarHBondContact O-N 3.33Å; E93-L97 HydrophobicContact CB-CD1 4.33Å; E93-L97 WeakPolarHBondContact O-CD1 3.46Å; E93-L97 PolarHBondContact O-N 3.2Å; E93-K252 IonicContact OE2-NZ 3.3Å; E93-K252 PolarHBondContact OE2-NZ 3.47Å
94	M	83.8	Confident	82.3	Confident	6 Å²	6	73 Å²	73	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-55	-42.6	173	-172.8	-175.4	55.6	0	0	111.5	M61 A91 R92 E98 I256 Y260	M61-M94 HydrophobicContact CE-CG 3.71Å; M61-M94 HydrophobicContact CE-SD 4.27Å; A91-M94 VanDerWaalsContact O-CB 3.29Å; A91-M94 WeakPolarHBondContact O-CB 3.33Å; A91-M94 PolarHBondContact O-N 2.9Å; R92-M94 PolarHBondContact O-N 3.26Å; M94-E98 WeakPolarHBondContact O-CB 3.34Å; M94-E98 PolarHBondContact O-N 3.38Å; M94-I256 HydrophobicContact CB-CD1 4.05Å; M94-I256 HydrophobicContact CG-CD1 4.29Å; M94-I256 HydrophobicContact CG-CG2 4.19Å; M94-I256 HydrophobicContact SD-CG2 3.82Å; M94-Y260 HydrophobicContact CE-CE2 4.13Å; M94-Y260 HydrophobicContact SD-CE2 3.67Å
95	I	86.6	Confident	82.4	Confident	86 Å²	86	71.4 Å²	71.4	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-41.9	-179.2	-57.7	173.9	0	0	0	109.5	R92 E93 E98 V99	R92-I95 WeakPolarHBondContact O-CB 3.05Å; R92-I95 PolarHBondContact O-N 3.47Å; E93-I95 PolarHBondContact O-N 3.11Å; I95-E98 PolarHBondContact O-N 2.99Å; I95-V99 HydrophobicContact CG2-CG2 4.48Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.4Å
96	D	88.3	Confident	81.9	Confident	105 Å²	105	70 Å²	70	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-42.3	178.7	-62.3	-29.7	0	0	0	111.7	E93 V99 C100	E93-D96 PolarHBondContact O-N 3.33Å; D96-V99 PolarHBondContact O-N 2.65Å; D96-C100 VanDerWaalsContact O-CB 3.27Å; D96-C100 WeakPolarHBondContact O-CB 3.21Å; D96-C100 PolarHBondContact O-N 3.28Å
97	L	86	Confident	81.3	Confident	15 Å²	15	69.5 Å²	69.5	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-42.8	172.6	-92.8	106.2	0	0	0	111.6	E93 C100 L101 W249 K252 V253	E93-L97 HydrophobicContact CB-CD1 4.33Å; E93-L97 WeakPolarHBondContact O-CD1 3.46Å; E93-L97 PolarHBondContact O-N 3.2Å; L97-C100 WeakPolarHBondContact O-CB 3.25Å; L97-C100 PolarHBondContact O-N 2.98Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 3.25Å; L97-W249 HydrophobicContact CD2-CB 4.06Å; L97-W249 HydrophobicContact CD2-CG 4.07Å; L97-K252 HydrophobicContact CD1-CD 4.13Å; L97-K252 HydrophobicContact CD2-CB 4.49Å; L97-V253 HydrophobicContact CD2-CG2 4.16Å
98	E	86.7	Confident	80.7	Confident	21 Å²	21	65.9 Å²	65.9	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-43.9	178.2	-168.6	-174.6	155.9	0	0	111.6	R57 M61 M94 I95 C100 L101 K102	R57-E98 IonicContact CZ-OE2 3.53Å; R57-E98 VanDerWaalsContact CZ-OE2 3.22Å; R57-E98 IonicContact NE-OE2 3.97Å; R57-E98 PolarHBondContact NE-OE2 2.82Å; R57-E98 IonicContact NH2-OE2 2.71Å; R57-E98 PolarHBondContact NH2-OE2 2.97Å; M61-E98 HydrophobicContact CG-CG 4.41Å; M61-E98 HydrophobicContact SD-CB 3.8Å; M61-E98 HydrophobicContact SD-CG 4.27Å; M94-E98 WeakPolarHBondContact O-CB 3.34Å; M94-E98 PolarHBondContact O-N 3.38Å; I95-E98 PolarHBondContact O-N 2.99Å; E98-C100 VanDerWaalsContact C-N 3.32Å; E98-L101 PolarHBondContact O-N 2.92Å; E98-K102 HydrophobicContact CG-CD 4.38Å; E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 WeakPolarHBondContact O-CG 3.4Å; E98-K102 PolarHBondContact O-N 3.44Å; E98-K102 WeakPolarHBondContact OE1-CE 3.38Å; E98-K102 IonicContact OE1-NZ 3.28Å; E98-K102 PolarHBondContact OE1-NZ 3.31Å
99	V	87.1	Confident	80.2	Confident	66 Å²	66	70.5 Å²	70.5	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176	172.1	0	0	0	0	110.4	I95 D96 R103	I95-V99 HydrophobicContact CG2-CG2 4.48Å; I95-V99 VanDerWaalsContact O-CG2 3.3Å; I95-V99 WeakPolarHBondContact O-CG2 3.36Å; I95-V99 PolarHBondContact O-N 3.4Å; D96-V99 PolarHBondContact O-N 2.65Å; V99-R103 WeakPolarHBondContact O-CG 3.24Å; V99-R103 PolarHBondContact O-N 3.33Å
100	C	85.4	Confident	79.6	Confident	53 Å²	53	71 Å²	71	36%	0.358	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-51.8	175.7	-170.5	0	0	0	0	111.4	D96 L97 E98 K102 R103 I104	D96-C100 VanDerWaalsContact O-CB 3.27Å; D96-C100 WeakPolarHBondContact O-CB 3.21Å; D96-C100 PolarHBondContact O-N 3.28Å; L97-C100 WeakPolarHBondContact O-CB 3.25Å; L97-C100 PolarHBondContact O-N 2.98Å; E98-C100 VanDerWaalsContact C-N 3.32Å; C100-K102 VanDerWaalsContact C-N 3.33Å; C100-K102 PolarHBondContact O-N 3.39Å; C100-R103 WeakPolarHBondContact O-CB 3.25Å; C100-R103 PolarHBondContact O-N 3.28Å; C100-R103 VanDerWaalsContact O-N 3.09Å; C100-I104 WeakPolarHBondContact O-CG1 3.43Å
101	L	84.4	Confident	79.2	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-35.6	-179.4	-70.8	173.7	0	0	0	112.8	M61 L65 L68 L97 E98 R103 I104 W249	M61-L101 HydrophobicContact CB-CD1 3.93Å; M61-L101 HydrophobicContact CG-CD1 4.04Å; M61-L101 HydrophobicContact SD-CD1 4.44Å; L65-L101 HydrophobicContact CD1-CD1 4.47Å; L65-L101 HydrophobicContact CD2-CD1 4.26Å; L65-L101 HydrophobicContact CD2-CD2 3.59Å; L65-L101 HydrophobicContact CG-CD1 4.06Å; L65-L101 HydrophobicContact CG-CD2 4.17Å; L68-L101 HydrophobicContact CD1-CD2 3.86Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.46Å; L97-L101 PolarHBondContact O-N 3.25Å; E98-L101 PolarHBondContact O-N 2.92Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.17Å; L101-I104 HydrophobicContact CD2-CD1 4.49Å; L101-I104 PolarHBondContact O-N 3.09Å; L101-W249 HydrophobicContact CD2-CE3 4.25Å; L101-W249 HydrophobicContact CD2-CZ3 4.49Å
102	K	81.9	Confident	79	Confident	113 Å²	113	74.9 Å²	74.9	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-33.1	174.6	-79	177.9	-177.5	171.2	0	112.6	E98 C100 I104	E98-K102 HydrophobicContact CG-CD 4.38Å; E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 WeakPolarHBondContact O-CG 3.4Å; E98-K102 PolarHBondContact O-N 3.44Å; E98-K102 WeakPolarHBondContact OE1-CE 3.38Å; E98-K102 IonicContact OE1-NZ 3.28Å; E98-K102 PolarHBondContact OE1-NZ 3.31Å; C100-K102 VanDerWaalsContact C-N 3.33Å; C100-K102 PolarHBondContact O-N 3.39Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 3.04Å
103	R	77.1	Confident	78.8	Confident	204 Å²	204	67.3 Å²	67.3	77%	0.77	35%	0.345	S	S	*	.	H	α-helix	trans	-71.9	-21.7	179	-73	176.2	179.2	-176.9	1.2	113.7	V99 C100 L101 N105	V99-R103 WeakPolarHBondContact O-CG 3.24Å; V99-R103 PolarHBondContact O-N 3.33Å; C100-R103 WeakPolarHBondContact O-CB 3.25Å; C100-R103 PolarHBondContact O-N 3.28Å; C100-R103 VanDerWaalsContact O-N 3.09Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 3.17Å; R103-N105 PolarHBondContact O-N 3.02Å
104	I	75.1	Confident	78.7	Confident	24 Å²	24	67.6 Å²	67.6	12%	0.123	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.8	-174.8	-58.8	170.4	0	0	0	112.3	L68 C100 L101 K102 V106 V238 W249	L68-I104 HydrophobicContact CD1-CD1 4.35Å; L68-I104 HydrophobicContact CD1-CG2 4.16Å; L68-I104 HydrophobicContact CD2-CG2 3.5Å; L68-I104 VanDerWaalsContact CD2-CG2 3.5Å; L68-I104 HydrophobicContact CG-CG2 4.49Å; C100-I104 WeakPolarHBondContact O-CG1 3.43Å; L101-I104 HydrophobicContact CD2-CD1 4.49Å; L101-I104 PolarHBondContact O-N 3.09Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 3.04Å; I104-V106 PolarHBondContact O-N 3.4Å; I104-V238 HydrophobicContact CG2-CG1 3.92Å; I104-W249 HydrophobicContact CD1-CH2 3.98Å; I104-W249 HydrophobicContact CD1-CZ3 4.03Å
105	N	67.6	Low	78.6	Confident	120 Å²	120	72 Å²	72	64%	0.642	37%	0.365	S	S	*	.			trans	-76.4	60.5	-175.7	-157.9	15.1	0	0	0	114	R103	R103-N105 PolarHBondContact O-N 3.02Å
106	V	63.5	Low	78.5	Confident	33 Å²	33	70.9 Å²	70.9	20%	0.2	36%	0.36	C	S	.	.			trans	-83.2	-10.7	-175.8	-176.9	0	0	0	0	112.5	I104 A108	I104-V106 PolarHBondContact O-N 3.4Å; V106-A108 PolarHBondContact O-N 3.42Å
107	N	67.2	Low	78.3	Confident	19 Å²	19	68.4 Å²	68.4	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-73.2	-33.8	-166.4	-70.2	4.3	0	0	0	114.7	F67 E71 N109 A110 E111	F67-N107 WeakPolarHBondContact CE1-ND2 3.19Å; E71-N107 PolarHBondContact OE2-ND2 3.4Å; N107-N109 VanDerWaalsContact C-N 3.27Å; N107-N109 PolarHBondContact O-N 3.15Å; N107-A110 PolarHBondContact O-N 3.23Å; N107-A110 VanDerWaalsContact O-N 3.1Å; N107-E111 PolarHBondContact O-N 3.33Å; N107-E111 VanDerWaalsContact O-N 3.15Å
108	A	67.5	Low	78.1	Confident	58 Å²	58	68.3 Å²	68.3	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-34.6	-176.1	0	0	0	0	0	113.2	V106 M112	V106-A108 PolarHBondContact O-N 3.42Å; A108-M112 PolarHBondContact O-N 2.86Å
109	N	72.1	Confident	77.8	Confident	114 Å²	114	71.1 Å²	71.1	61%	0.61	36%	0.357	S	S	*	.	H	α-helix	trans	-74.4	-35.2	178.4	-67.3	-12	0	0	0	111.5	N107 L113	N107-N109 VanDerWaalsContact C-N 3.27Å; N107-N109 PolarHBondContact O-N 3.15Å; N109-L113 WeakPolarHBondContact O-CB 3.21Å; N109-L113 WeakPolarHBondContact O-CD1 3.42Å; N109-L113 WeakPolarHBondContact O-CG 3.35Å; N109-L113 PolarHBondContact O-N 3.34Å
110	A	74.5	Confident	77.5	Confident	13 Å²	13	69.5 Å²	69.5	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-42.2	179.8	0	0	0	0	0	111.6	N107 L113 Q114 T231	N107-A110 PolarHBondContact O-N 3.23Å; N107-A110 VanDerWaalsContact O-N 3.1Å; A110-L113 PolarHBondContact O-N 3.4Å; A110-Q114 WeakPolarHBondContact O-CB 3.42Å; A110-Q114 PolarHBondContact O-N 3.12Å; A110-T231 HydrophobicContact CB-CG2 4.36Å
111	E	75.4	Confident	77.3	Confident	131 Å²	131	68 Å²	68	61%	0.612	34%	0.336	S	S	*	.	H	α-helix	trans	-62.9	-44.2	176.7	-69.7	174.4	-173	0	0	111.7	N107 Q114 K115	N107-E111 PolarHBondContact O-N 3.33Å; N107-E111 VanDerWaalsContact O-N 3.15Å; E111-Q114 PolarHBondContact O-N 3.47Å; E111-K115 WeakPolarHBondContact O-CB 3.46Å; E111-K115 PolarHBondContact O-N 3.41Å
112	M	78.8	Confident	77.1	Confident	123 Å²	123	67.9 Å²	67.9	61%	0.606	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-40.3	177.1	-169.5	-178.7	-67.2	0	0	112	A108 K115 N116	A108-M112 PolarHBondContact O-N 2.86Å; M112-K115 PolarHBondContact O-N 2.84Å; M112-N116 WeakPolarHBondContact O-CB 3.16Å; M112-N116 PolarHBondContact O-N 2.96Å; M112-N116 PolarHBondContact O-ND2 2.77Å
113	L	81.9	Confident	76.9	Confident	37 Å²	37	64 Å²	64	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-42	174.9	-76.1	167.7	0	0	0	111.8	N109 A110 N116 F117 L224 V227 L228	N109-L113 WeakPolarHBondContact O-CB 3.21Å; N109-L113 WeakPolarHBondContact O-CD1 3.42Å; N109-L113 WeakPolarHBondContact O-CG 3.35Å; N109-L113 PolarHBondContact O-N 3.34Å; A110-L113 PolarHBondContact O-N 3.4Å; L113-N116 PolarHBondContact O-N 2.94Å; L113-F117 VanDerWaalsContact O-CB 3.24Å; L113-F117 WeakPolarHBondContact O-CB 3.31Å; L113-F117 PolarHBondContact O-N 3.23Å; L113-L224 HydrophobicContact CD2-CD2 3.7Å; L113-V227 HydrophobicContact CD1-CG1 4.15Å; L113-V227 HydrophobicContact CD2-CG1 4.43Å; L113-L228 HydrophobicContact CB-CD1 4.29Å
114	Q	80.9	Confident	77	Confident	70 Å²	70	58.7 Å²	58.7	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.5	-173	173.8	-6.1	0	0	110.8	A110 E111 F117 L118 E168	A110-Q114 WeakPolarHBondContact O-CB 3.42Å; A110-Q114 PolarHBondContact O-N 3.12Å; E111-Q114 PolarHBondContact O-N 3.47Å; Q114-F117 PolarHBondContact O-N 3.08Å; Q114-L118 VanDerWaalsContact O-CB 3.28Å; Q114-L118 WeakPolarHBondContact O-CB 3.44Å; Q114-L118 PolarHBondContact O-N 3.09Å; Q114-E168 PolarHBondContact NE2-OE1 3.31Å; Q114-E168 PolarHBondContact NE2-OE2 3.26Å
115	K	82.4	Confident	77	Confident	98 Å²	98	60.3 Å²	60.3	43%	0.426	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-48.4	174.1	-175.1	177.5	176.6	-177.8	0	112	E111 M112 F117 L118 E119 P170	E111-K115 WeakPolarHBondContact O-CB 3.46Å; E111-K115 PolarHBondContact O-N 3.41Å; M112-K115 PolarHBondContact O-N 2.84Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 3.43Å; K115-L118 PolarHBondContact O-N 3.28Å; K115-E119 WeakPolarHBondContact CE-OE1 3.5Å; K115-E119 WeakPolarHBondContact O-CG 3.22Å; K115-E119 PolarHBondContact O-N 2.93Å; K115-P170 HydrophobicContact CG-CB 4.07Å
116	N	84	Confident	77.4	Confident	64 Å²	64	54.6 Å²	54.6	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-40.5	178	-71.1	-16.8	0	0	0	112.2	M112 L113 L118 L120	M112-N116 WeakPolarHBondContact O-CB 3.16Å; M112-N116 PolarHBondContact O-N 2.96Å; M112-N116 PolarHBondContact O-ND2 2.77Å; L113-N116 PolarHBondContact O-N 2.94Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.37Å; N116-L120 WeakPolarHBondContact O-CB 3.41Å; N116-L120 WeakPolarHBondContact O-CG 3.43Å; N116-L120 PolarHBondContact O-N 3.42Å
117	F	84.4	Confident	77.7	Confident	52 Å²	52	53.6 Å²	53.6	23%	0.228	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-42	175.9	177.6	-97.7	0	0	0	111.1	L113 Q114 K115 L120 T121 I221 L224 K225 L228	L113-F117 VanDerWaalsContact O-CB 3.24Å; L113-F117 WeakPolarHBondContact O-CB 3.31Å; L113-F117 PolarHBondContact O-N 3.23Å; Q114-F117 PolarHBondContact O-N 3.08Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 3.43Å; F117-L120 PolarHBondContact O-N 2.83Å; F117-T121 WeakPolarHBondContact O-CB 3.43Å; F117-T121 PolarHBondContact O-N 3.29Å; F117-T121 PolarHBondContact O-OG1 3.41Å; F117-I221 HydrophobicContact CE2-CG2 3.86Å; F117-L224 HydrophobicContact CD2-CB 4.24Å; F117-K225 HydrophobicContact CE2-CB 3.99Å; F117-K225 HydrophobicContact CE2-CG 4.46Å; F117-L228 HydrophobicContact CG-CD2 4.49Å
118	L	81.6	Confident	77.5	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-45.1	178.9	-173.8	55.2	0	0	0	112.2	Q114 K115 N116 L120 T121 E122 E168 P170	Q114-L118 VanDerWaalsContact O-CB 3.28Å; Q114-L118 WeakPolarHBondContact O-CB 3.44Å; Q114-L118 PolarHBondContact O-N 3.09Å; K115-L118 PolarHBondContact O-N 3.28Å; N116-L118 VanDerWaalsContact C-N 3.31Å; N116-L118 PolarHBondContact O-N 3.37Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.13Å; L118-T121 PolarHBondContact O-N 2.88Å; L118-E122 PolarHBondContact O-N 2.92Å; L118-E168 HydrophobicContact CD1-CB 4.27Å; L118-E168 WeakPolarHBondContact CD1-O 3.49Å; L118-E168 HydrophobicContact CD2-CB 4.11Å; L118-E168 WeakPolarHBondContact CD2-O 3.39Å; L118-P170 HydrophobicContact CD2-CB 3.72Å; L118-P170 HydrophobicContact CD2-CG 4.21Å
119	E	80.1	Confident	77.2	Confident	79 Å²	79	63.4 Å²	63.4	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-42.4	174.2	-73.3	177.9	-172.6	0	0	111.9	K115 E122 L123 I204	K115-E119 WeakPolarHBondContact CE-OE1 3.5Å; K115-E119 WeakPolarHBondContact O-CG 3.22Å; K115-E119 PolarHBondContact O-N 2.93Å; E119-E122 PolarHBondContact O-N 2.96Å; E119-L123 WeakPolarHBondContact O-CB 3.48Å; E119-L123 PolarHBondContact O-N 3.24Å; E119-I204 WeakPolarHBondContact O-CD1 3.48Å
120	L	81.9	Confident	76.5	Confident	32 Å²	32	63 Å²	63	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-33.6	176.7	-71.6	169.2	0	0	0	112.6	N116 F117 L118 L123 K124 V217 I221 L224	N116-L120 WeakPolarHBondContact O-CB 3.41Å; N116-L120 WeakPolarHBondContact O-CG 3.43Å; N116-L120 PolarHBondContact O-N 3.42Å; F117-L120 PolarHBondContact O-N 2.83Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 3.13Å; L120-L123 CarbonylContact O-C 3.57Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 2.72Å; L120-L123 VanDerWaalsContact O-N 3.17Å; L120-K124 PolarHBondContact O-N 3.31Å; L120-V217 HydrophobicContact CD2-CG1 4.25Å; L120-I221 HydrophobicContact CB-CD1 4.13Å; L120-I221 HydrophobicContact CB-CG1 3.73Å; L120-I221 WeakPolarHBondContact O-CD1 3.3Å; L120-L224 HydrophobicContact CD1-CD1 3.17Å
121	T	81.5	Confident	76	Confident	23 Å²	23	67.8 Å²	67.8	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-42.6	173.9	-60.1	0	0	0	0	110.7	F117 L118 L123 K124 H125 L167	F117-T121 WeakPolarHBondContact O-CB 3.43Å; F117-T121 PolarHBondContact O-N 3.29Å; F117-T121 PolarHBondContact O-OG1 3.41Å; L118-T121 PolarHBondContact O-N 2.88Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.86Å; T121-K124 WeakPolarHBondContact O-CB 3.32Å; T121-K124 PolarHBondContact O-N 3.18Å; T121-H125 PolarHBondContact O-CD2 3.25Å; T121-H125 PolarHBondContact O-N 3.11Å; T121-L167 HydrophobicContact CG2-CD2 4.07Å
122	E	78.7	Confident	75.6	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-44.6	170.2	-72.1	-176.6	-176	0	0	111.3	L118 E119 K124 H125 I126 V135 L167 K178 I204	L118-E122 PolarHBondContact O-N 2.92Å; E119-E122 PolarHBondContact O-N 2.96Å; E122-K124 PolarHBondContact O-N 2.96Å; E122-H125 PolarHBondContact O-N 3.08Å; E122-I126 WeakPolarHBondContact O-CG1 3.48Å; E122-I126 PolarHBondContact O-N 3.4Å; E122-V135 HydrophobicContact CB-CG2 4.48Å; E122-L167 HydrophobicContact CG-CD1 3.96Å; E122-K178 WeakPolarHBondContact OE1-CD 3.44Å; E122-K178 WeakPolarHBondContact OE1-CE 3.36Å; E122-K178 IonicContact OE1-NZ 3.18Å; E122-K178 PolarHBondContact OE1-NZ 2.92Å; E122-I204 HydrophobicContact CB-CD1 3.87Å
123	L	78.4	Confident	75.4	Confident	31 Å²	31	56.6 Å²	56.6	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-35.1	-179.8	-148.4	155.4	0	0	0	112.5	E119 L120 T121 H125 I126 L127 I204 V217	E119-L123 WeakPolarHBondContact O-CB 3.48Å; E119-L123 PolarHBondContact O-N 3.24Å; L120-L123 CarbonylContact O-C 3.57Å; L120-L123 WeakPolarHBondContact O-CB 3.42Å; L120-L123 PolarHBondContact O-N 2.72Å; L120-L123 VanDerWaalsContact O-N 3.17Å; T121-L123 VanDerWaalsContact C-N 3.31Å; T121-L123 PolarHBondContact O-N 2.86Å; L123-H125 VanDerWaalsContact C-N 3.3Å; L123-H125 PolarHBondContact O-N 3.37Å; L123-I126 WeakPolarHBondContact O-CB 3.4Å; L123-I126 PolarHBondContact O-N 3.49Å; L123-I126 VanDerWaalsContact O-N 3.08Å; L123-L127 HydrophobicContact CD2-CD1 3.3Å; L123-L127 HydrophobicContact CD2-CD2 4.2Å; L123-L127 HydrophobicContact CD2-CG 3.59Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.38Å; L123-I204 HydrophobicContact CB-CD1 4.4Å; L123-I204 HydrophobicContact CD1-CG2 4.06Å; L123-I204 HydrophobicContact CG-CG2 4.17Å; L123-V217 HydrophobicContact CD2-CG1 4.36Å; L123-V217 HydrophobicContact CD2-CG2 4.06Å
124	K	79.4	Confident	75.3	Confident	93 Å²	93	54.9 Å²	54.9	40%	0.404	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-40.2	173	179.7	-174.1	175.5	-177.5	0	112	L120 T121 E122 I126 M218 I221	L120-K124 PolarHBondContact O-N 3.31Å; T121-K124 WeakPolarHBondContact O-CB 3.32Å; T121-K124 PolarHBondContact O-N 3.18Å; E122-K124 PolarHBondContact O-N 2.96Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.15Å; K124-M218 HydrophobicContact CG-CG 4.41Å; K124-I221 HydrophobicContact CB-CD1 3.65Å; K124-I221 HydrophobicContact CD-CD1 3.92Å; K124-I221 HydrophobicContact CG-CD1 4.2Å
125	H	76.1	Confident	75.4	Confident	58 Å²	58	51.7 Å²	51.7	27%	0.269	24%	0.241	S	C	.	.	H	α-helix	trans	-70.2	-27.4	177.1	-70.3	-71.5	0	0	0	112.7	T121 E122 L123 I163 V180	T121-H125 PolarHBondContact O-CD2 3.25Å; T121-H125 PolarHBondContact O-N 3.11Å; E122-H125 PolarHBondContact O-N 3.08Å; L123-H125 VanDerWaalsContact C-N 3.3Å; L123-H125 PolarHBondContact O-N 3.37Å; H125-I163 HydrophobicContact CB-CD1 4.09Å; H125-V180 HydrophobicContact CB-CG2 4.08Å
126	I	74.4	Confident	75.6	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-74.1	-47.9	176.2	-61.3	173.5	0	0	0	111.3	E122 L123 K124 R128 K129 A133 V135 I204	E122-I126 WeakPolarHBondContact O-CG1 3.48Å; E122-I126 PolarHBondContact O-N 3.4Å; L123-I126 WeakPolarHBondContact O-CB 3.4Å; L123-I126 PolarHBondContact O-N 3.49Å; L123-I126 VanDerWaalsContact O-N 3.08Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.15Å; I126-R128 PolarHBondContact O-N 3.15Å; I126-K129 PolarHBondContact O-N 2.86Å; I126-A133 HydrophobicContact CG2-CB 3.56Å; I126-V135 HydrophobicContact CD1-CG2 3.77Å; I126-V135 HydrophobicContact CG1-CG2 3.56Å; I126-I204 HydrophobicContact CD1-CB 3.85Å; I126-I204 HydrophobicContact CD1-CG2 3.71Å
127	L	69.6	Low	75.7	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-11.5	-169.6	-73.9	172.3	0	0	0	115.2	L123 K129 A209 M213 A214 V217	L123-L127 HydrophobicContact CD2-CD1 3.3Å; L123-L127 HydrophobicContact CD2-CD2 4.2Å; L123-L127 HydrophobicContact CD2-CG 3.59Å; L123-L127 WeakPolarHBondContact O-CG 3.27Å; L123-L127 PolarHBondContact O-N 3.38Å; L127-K129 PolarHBondContact O-N 2.84Å; L127-A209 HydrophobicContact CD2-CB 3.56Å; L127-M213 HydrophobicContact CD1-CG 4.22Å; L127-M213 HydrophobicContact CD2-CB 4.3Å; L127-M213 HydrophobicContact CD2-CG 4.02Å; L127-M213 HydrophobicContact CD2-SD 3.99Å; L127-A214 HydrophobicContact CB-CB 3.91Å; L127-A214 HydrophobicContact CD1-CB 4.44Å; L127-V217 HydrophobicContact CD1-CB 3.71Å; L127-V217 HydrophobicContact CD1-CG1 4.12Å; L127-V217 HydrophobicContact CD1-CG2 3.55Å
128	R	63.9	Low	75.8	Confident	222 Å²	222	49.5 Å²	49.5	84%	0.838	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-9.2	169.9	-86.7	-175.3	170.5	-178.3	-2.1	113.7	I126	I126-R128 PolarHBondContact O-N 3.15Å
129	K	60.9	Low	76.2	Confident	60 Å²	60	57.4 Å²	57.4	26%	0.261	26%	0.264	S	S	.	.	S	Bend	trans	-119.9	134.1	-176.6	-57.7	-170.1	-175.7	176.5	0	111.1	I126 L127 F131 V180 V182 A209	I126-K129 PolarHBondContact O-N 2.86Å; L127-K129 PolarHBondContact O-N 2.84Å; K129-F131 PolarHBondContact O-N 3.11Å; K129-V180 HydrophobicContact CD-CG1 4.21Å; K129-V182 HydrophobicContact CB-CG2 4.19Å; K129-V182 HydrophobicContact CD-CG2 3.41Å; K129-V182 VanDerWaalsContact CD-CG2 3.41Å; K129-V182 HydrophobicContact CG-CG2 4.44Å; K129-A209 WeakPolarHBondContact O-CB 3.3Å
130	T	58.1	Low	76.6	Confident	105 Å²	105	59.8 Å²	59.8	64%	0.644	27%	0.269	S	S	*	.	S	Bend	trans	-79.4	-4.2	-167.8	37.3	0	0	0	0	116.3
131	F	64.6	Low	77	Confident	114 Å²	114	58.9 Å²	58.9	50%	0.5	27%	0.265	S	S	.	.	S	Bend	trans	-122.4	177.8	-173.7	-61.5	-79.5	0	0	0	111.7	K129 A133 V182 F184	K129-F131 PolarHBondContact O-N 3.11Å; F131-A133 WeakPolarHBondContact O-CB 3.28Å; F131-A133 PolarHBondContact O-N 3.45Å; F131-V182 HydrophobicContact CB-CG1 3.76Å; F131-F184 HydrophobicContact CB-CE1 4.04Å; F131-F184 HydrophobicContact CB-CZ 4.5Å; F131-F184 HydrophobicContact CD1-CD1 4.43Å; F131-F184 HydrophobicContact CD1-CE1 4.09Å; F131-F184 AromaticContact CD2-CE1 3.47Å; F131-F184 HydrophobicContact CD2-CE1 3.47Å; F131-F184 VanDerWaalsContact CD2-CE1 3.47Å; F131-F184 AromaticContact CD2-CZ 3.95Å; F131-F184 HydrophobicContact CD2-CZ 3.95Å; F131-F184 HydrophobicContact CE1-CE1 4.44Å; F131-F184 AromaticContact CE2-CE1 3.87Å; F131-F184 HydrophobicContact CE2-CE1 3.87Å; F131-F184 HydrophobicContact CE2-CZ 4.5Å; F131-F184 HydrophobicContact CG-CD1 4.25Å; F131-F184 AromaticContact CG-CE1 3.59Å; F131-F184 HydrophobicContact CG-CE1 3.59Å; F131-F184 HydrophobicContact CG-CZ 4.31Å; F131-F184 HydrophobicContact CZ-CE1 4.34Å
132	V	66.3	Low	77.4	Confident	17 Å²	17	61.2 Å²	61.2	10%	0.103	28%	0.28	C	S	.	.	S	Bend	trans	-51.9	108.8	178.6	-176.5	0	0	0	0	109.3	V182 I183 F185 L205 S206 F207	V132-V182 VanDerWaalsContact O-CA 3.31Å; V132-V182 WeakPolarHBondContact O-CA 3.48Å; V132-I183 PolarHBondContact O-N 3.29Å; V132-F185 HydrophobicContact CB-CE1 4.33Å; V132-F185 HydrophobicContact CG1-CE1 4.43Å; V132-F185 HydrophobicContact CG2-CE1 3.97Å; V132-F185 HydrophobicContact CG2-CZ 3.96Å; V132-L205 HydrophobicContact CG1-CD1 3.73Å; V132-L205 HydrophobicContact CG1-CG 4.34Å; V132-S206 WeakPolarHBondContact CA-O 3.2Å; V132-F207 HydrophobicContact CG1-CD1 4.29Å; V132-F207 HydrophobicContact CG1-CE1 4.19Å; V132-F207 HydrophobicContact CG2-CD1 3.63Å; V132-F207 HydrophobicContact CG2-CE1 4.06Å
133	A	74.2	Confident	78.1	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.017	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145	-172.3	0	0	0	0	0	110.1	I126 F131 I181 V182 S206	I126-A133 HydrophobicContact CG2-CB 3.56Å; F131-A133 WeakPolarHBondContact O-CB 3.28Å; F131-A133 PolarHBondContact O-N 3.45Å; A133-I181 CarbonylContact C-O 3.49Å; A133-I181 WeakPolarHBondContact CA-O 3.48Å; A133-V182 HydrophobicContact CB-CG2 4.13Å; A133-S206 PolarHBondContact N-O 3.2Å; A133-S206 PolarHBondContact O-N 2.98Å
134	G	79.4	Confident	78.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.4	-179.5	0	0	0	0	0	112.2	V180 I181 I204	G134-V180 CarbonylContact O-C 3.58Å; G134-V180 WeakPolarHBondContact O-CA 3.4Å; G134-I181 PolarHBondContact N-O 3.02Å; G134-I181 WeakPolarHBondContact O-CG1 3.37Å; G134-I181 PolarHBondContact O-N 3.18Å; G134-I204 VanDerWaalsContact CA-O 3.24Å; G134-I204 WeakPolarHBondContact CA-O 3.43Å
135	V	82.9	Confident	79.2	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130	179.5	179	0	0	0	0	109.7	E122 I126 I163 K178 T179 V180 I202	E122-V135 HydrophobicContact CB-CG2 4.48Å; I126-V135 HydrophobicContact CD1-CG2 3.77Å; I126-V135 HydrophobicContact CG1-CG2 3.56Å; V135-I163 HydrophobicContact CG1-CD1 4.46Å; V135-K178 HydrophobicContact CG1-CB 3.63Å; V135-K178 HydrophobicContact CG1-CD 3.96Å; V135-K178 HydrophobicContact CG1-CG 4.11Å; V135-T179 WeakPolarHBondContact CA-O 3.38Å; V135-V180 HydrophobicContact CG2-CG2 4.31Å; V135-I202 WeakPolarHBondContact O-CG2 3.19Å
136	I	87	Confident	79.9	Confident	2 Å²	2	66 Å²	66	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.1	-179.9	-171.1	172	0	0	0	110.3	R138 R140 I141 F144 K178 T179 I181 Y201	I136-R138 PolarHBondContact O-N 2.95Å; I136-R140 HydrophobicContact CD1-CB 3.95Å; I136-R140 HydrophobicContact CG1-CB 4.01Å; I136-I141 HydrophobicContact CG2-CG1 3.82Å; I136-F144 HydrophobicContact CD1-CB 3.55Å; I136-F144 HydrophobicContact CD1-CD1 4.31Å; I136-F144 HydrophobicContact CD1-CD2 4.16Å; I136-F144 HydrophobicContact CD1-CG 3.75Å; I136-K178 CarbonylContact O-C 3.57Å; I136-K178 WeakPolarHBondContact O-CA 3.41Å; I136-T179 WeakPolarHBondContact CG2-OG1 3.3Å; I136-T179 PolarHBondContact N-O 2.64Å; I136-T179 PolarHBondContact O-N 2.99Å; I136-T179 PolarHBondContact O-OG1 2.75Å; I136-I181 HydrophobicContact CB-CD1 4.47Å; I136-I181 HydrophobicContact CG2-CD1 4.09Å; I136-I181 HydrophobicContact CG2-CG1 4.22Å; I136-I181 HydrophobicContact CG2-CG2 4.03Å; I136-Y201 HydrophobicContact CD1-CD1 4.27Å
137	L	86.8	Confident	80.7	Confident	45 Å²	45	69.2 Å²	69.2	24%	0.236	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	134.4	169.7	-70.7	168	0	0	0	110.2	E139 R140 V176 K178	L137-E139 PolarHBondContact O-N 3.32Å; L137-E139 VanDerWaalsContact O-N 3.14Å; L137-R140 HydrophobicContact CB-CG 4.33Å; L137-R140 PolarHBondContact O-N 2.97Å; L137-V176 HydrophobicContact CD2-CB 3.72Å; L137-V176 HydrophobicContact CD2-CG1 4.21Å; L137-V176 HydrophobicContact CD2-CG2 3.75Å; L137-K178 HydrophobicContact CD2-CG 4.06Å
138	R	86.7	Confident	81.7	Confident	120 Å²	120	68.9 Å²	68.9	45%	0.453	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.3	-38.3	-176.1	-169.6	179.2	-167.7	-172.4	5.4	112.8	I136 R140 I141 E162 H177 T179	I136-R138 PolarHBondContact O-N 2.95Å; R138-R140 VanDerWaalsContact C-N 3.27Å; R138-R140 PolarHBondContact O-N 3.47Å; R138-I141 HydrophobicContact CG-CD1 4.22Å; R138-I141 WeakPolarHBondContact O-CG1 3.33Å; R138-I141 PolarHBondContact O-N 2.96Å; R138-E162 IonicContact CZ-OE1 2.75Å; R138-E162 VanDerWaalsContact CZ-OE1 3.3Å; R138-E162 IonicContact CZ-OE2 3.76Å; R138-E162 IonicContact NE-OE1 2.68Å; R138-E162 PolarHBondContact NE-OE1 3.23Å; R138-E162 VanDerWaalsContact NE-OE1 3.15Å; R138-E162 VanDerWaalsContact NH2-CD 3.33Å; R138-E162 IonicContact NH2-OE1 3.32Å; R138-E162 PolarHBondContact NH2-OE1 3.23Å; R138-E162 IonicContact NH2-OE2 3.46Å; R138-E162 PolarHBondContact NH2-OE2 2.83Å; R138-H177 HydrophobicContact CB-CB 4.35Å; R138-H177 VanDerWaalsContact CB-O 3.32Å; R138-H177 WeakPolarHBondContact CB-O 3.38Å; R138-H177 PolarHBondContact N-O 3.42Å; R138-T179 HydrophobicContact CB-CG2 4.15Å; R138-T179 HydrophobicContact CG-CG2 4.1Å
139	E	88.6	Confident	82.9	Confident	181 Å²	181	66.7 Å²	66.7	85%	0.846	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-65	-28.6	179.9	-59.6	-179.2	173.2	0	0	113.5	L137 P142	L137-E139 PolarHBondContact O-N 3.32Å; L137-E139 VanDerWaalsContact O-N 3.14Å; E139-P142 WeakPolarHBondContact O-CD 3.28Å
140	R	89.6	Confident	84.3	Confident	129 Å²	129	72.4 Å²	72.4	49%	0.487	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-88.2	-10.4	-177.4	-64.4	-170.5	-179.7	-169.6	1.9	113.4	I136 L137 R138 A143 F144 Y201	I136-R140 HydrophobicContact CD1-CB 3.95Å; I136-R140 HydrophobicContact CG1-CB 4.01Å; L137-R140 HydrophobicContact CB-CG 4.33Å; L137-R140 PolarHBondContact O-N 2.97Å; R138-R140 VanDerWaalsContact C-N 3.27Å; R138-R140 PolarHBondContact O-N 3.47Å; R140-A143 PolarHBondContact O-N 3.1Å; R140-F144 WeakPolarHBondContact O-CB 3.44Å; R140-F144 PolarHBondContact O-N 3.14Å; R140-Y201 HydrophobicContact CB-CD1 4.23Å
141	I	89.2	Confident	85.8	Confident	13 Å²	13	69 Å²	69	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-55.4	-50.4	-178.5	-59.2	170.1	0	0	0	112.4	I136 R138 A143 F144 E145 T179	I136-I141 HydrophobicContact CG2-CG1 3.82Å; R138-I141 HydrophobicContact CG-CD1 4.22Å; R138-I141 WeakPolarHBondContact O-CG1 3.33Å; R138-I141 PolarHBondContact O-N 2.96Å; I141-A143 PolarHBondContact O-N 3.25Å; I141-F144 WeakPolarHBondContact O-CB 3.36Å; I141-F144 PolarHBondContact O-N 2.74Å; I141-F144 VanDerWaalsContact O-N 3.1Å; I141-E145 PolarHBondContact O-N 2.93Å; I141-T179 HydrophobicContact CD1-CG2 3.55Å; I141-T179 WeakPolarHBondContact CD1-OG1 3.18Å; I141-T179 WeakPolarHBondContact CG1-OG1 3.38Å
142	P	91.5	Very high	86.9	Confident	72 Å²	72	63.8 Å²	63.8	47%	0.468	29%	0.29	S	S	.	.	H	α-helix	trans	-66.7	-28.2	-174.3	-20.4	34.3	0	0	0	112.6	E139 R146	E139-P142 WeakPolarHBondContact O-CD 3.28Å; P142-R146 WeakPolarHBondContact O-CB 3.32Å; P142-R146 VanDerWaalsContact O-CG 3.26Å; P142-R146 WeakPolarHBondContact O-CG 3.36Å; P142-R146 PolarHBondContact O-N 2.8Å; P142-R146 PolarHBondContact O-NE 3.01Å
143	A	92.2	Very high	87.8	Confident	34 Å²	34	73.4 Å²	73.4	28%	0.281	32%	0.324	S	S	.	.	H	α-helix	trans	-73.1	-44.3	173.2	0	0	0	0	0	111.1	R140 I141 R146 L147 Y201	R140-A143 PolarHBondContact O-N 3.1Å; I141-A143 PolarHBondContact O-N 3.25Å; A143-R146 PolarHBondContact O-N 3.42Å; A143-L147 PolarHBondContact O-N 2.91Å; A143-Y201 HydrophobicContact CB-CE1 4.18Å
144	F	91.1	Very high	88.3	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-48.3	178.5	179.8	-100.9	0	0	0	112.5	I136 R140 I141 R146 L147 L148 L158 I181 I183 I197 Y201 I202	I136-F144 HydrophobicContact CD1-CB 3.55Å; I136-F144 HydrophobicContact CD1-CD1 4.31Å; I136-F144 HydrophobicContact CD1-CD2 4.16Å; I136-F144 HydrophobicContact CD1-CG 3.75Å; R140-F144 WeakPolarHBondContact O-CB 3.44Å; R140-F144 PolarHBondContact O-N 3.14Å; I141-F144 WeakPolarHBondContact O-CB 3.36Å; I141-F144 PolarHBondContact O-N 2.74Å; I141-F144 VanDerWaalsContact O-N 3.1Å; F144-R146 PolarHBondContact O-N 2.78Å; F144-L147 PolarHBondContact O-N 2.93Å; F144-L148 HydrophobicContact CE1-CD2 4.1Å; F144-L148 WeakPolarHBondContact O-CB 3.32Å; F144-L148 PolarHBondContact O-N 3.29Å; F144-L158 HydrophobicContact CE1-CD1 4.24Å; F144-I181 HydrophobicContact CD1-CD1 3.84Å; F144-I181 HydrophobicContact CE1-CD1 3.29Å; F144-I181 HydrophobicContact CZ-CD1 3.76Å; F144-I183 HydrophobicContact CE1-CD1 3.95Å; F144-I183 HydrophobicContact CZ-CD1 3.71Å; F144-I197 HydrophobicContact CD2-CG2 4.12Å; F144-I197 HydrophobicContact CE2-CG2 3.74Å; F144-Y201 HydrophobicContact CB-CD1 4.12Å; F144-Y201 HydrophobicContact CB-CG 4.35Å; F144-Y201 HydrophobicContact CD2-CD1 4.28Å; F144-Y201 AromaticContact CD2-CD2 3.93Å; F144-Y201 HydrophobicContact CD2-CD2 3.93Å; F144-Y201 AromaticContact CD2-CG 3.67Å; F144-Y201 HydrophobicContact CD2-CG 3.67Å; F144-Y201 HydrophobicContact CG-CG 4.48Å; F144-I202 HydrophobicContact CE2-CD1 4.09Å; F144-I202 HydrophobicContact CE2-CG1 4.18Å; F144-I202 HydrophobicContact CZ-CD1 3.8Å; F144-I202 HydrophobicContact CZ-CG1 4.35Å
145	E	89.9	Confident	88.7	Confident	101 Å²	101	80.4 Å²	80.4	47%	0.472	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-44.8	179.2	-174.5	179.9	-176.7	0	0	111.6	I141 L147 L148 W149 L158	I141-E145 PolarHBondContact O-N 2.93Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.43Å; E145-L148 PolarHBondContact O-N 3.17Å; E145-W149 WeakPolarHBondContact O-CB 3.28Å; E145-W149 PolarHBondContact O-N 3.28Å; E145-L158 HydrophobicContact CB-CD2 4.01Å; E145-L158 HydrophobicContact CG-CD2 3.88Å
146	R	90.8	Very high	88.8	Confident	152 Å²	152	81.2 Å²	81.2	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-60.9	-41.9	176.3	-76.8	-176.9	-68.5	167.4	-1.7	112.2	P142 A143 F144 R150	P142-R146 WeakPolarHBondContact O-CB 3.32Å; P142-R146 VanDerWaalsContact O-CG 3.26Å; P142-R146 WeakPolarHBondContact O-CG 3.36Å; P142-R146 PolarHBondContact O-N 2.8Å; P142-R146 PolarHBondContact O-NE 3.01Å; A143-R146 PolarHBondContact O-N 3.42Å; F144-R146 PolarHBondContact O-N 2.78Å; R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 WeakPolarHBondContact O-CG 3.43Å; R146-R150 PolarHBondContact O-N 3.49Å
147	L	91.6	Very high	88.8	Confident	68 Å²	68	87.2 Å²	87.2	36%	0.356	40%	0.401	S	S	.	.	H	α-helix	trans	-67.6	-44.2	178.2	-178.3	61	0	0	0	111.4	A143 F144 E145 R150 A151 I197 Y201	A143-L147 PolarHBondContact O-N 2.91Å; F144-L147 PolarHBondContact O-N 2.93Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.43Å; L147-R150 PolarHBondContact O-N 3.19Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.38Å; L147-A151 PolarHBondContact O-N 2.93Å; L147-I197 HydrophobicContact CD2-CG2 3.78Å; L147-I197 HydrophobicContact CG-CG2 4.04Å; L147-Y201 HydrophobicContact CD2-CD2 4.41Å; L147-Y201 HydrophobicContact CD2-CE2 3.57Å
148	L	89.7	Confident	88.9	Confident	4 Å²	4	86.6 Å²	86.6	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-60.7	-46.1	177.8	-169.3	69.7	0	0	0	111.2	F144 E145 C152 V156 L158 I183 V194 I197	F144-L148 HydrophobicContact CE1-CD2 4.1Å; F144-L148 WeakPolarHBondContact O-CB 3.32Å; F144-L148 PolarHBondContact O-N 3.29Å; E145-L148 PolarHBondContact O-N 3.17Å; L148-C152 WeakPolarHBondContact O-CB 3.42Å; L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.1Å; L148-C152 PolarHBondContact O-SG 3.32Å; L148-C152 VanDerWaalsContact O-SG 3.4Å; L148-V156 HydrophobicContact CD1-CG1 4.26Å; L148-V156 HydrophobicContact CD2-CG1 3.77Å; L148-V156 HydrophobicContact CG-CB 4.46Å; L148-V156 HydrophobicContact CG-CG1 3.98Å; L148-L158 HydrophobicContact CD2-CB 4.47Å; L148-L158 HydrophobicContact CD2-CD1 4.22Å; L148-I183 HydrophobicContact CD2-CD1 4.23Å; L148-I183 HydrophobicContact CD2-CG2 4.06Å; L148-V194 HydrophobicContact CD1-CB 4.47Å; L148-V194 HydrophobicContact CD1-CG1 4.18Å; L148-V194 HydrophobicContact CD1-CG2 3.96Å; L148-I197 HydrophobicContact CD1-CD1 4.46Å
149	W	90.2	Very high	88.9	Confident	177 Å²	177	86.8 Å²	86.8	67%	0.67	40%	0.402	S	S	*	.	H	α-helix	trans	-62.8	-45.3	178.2	-170	89	0	0	0	112	E145 R153 G154	E145-W149 WeakPolarHBondContact O-CB 3.28Å; E145-W149 PolarHBondContact O-N 3.28Å; W149-R153 WeakPolarHBondContact O-CA 3.43Å; W149-R153 PolarHBondContact O-N 3.41Å; W149-G154 PolarHBondContact O-N 2.89Å
150	R	90.7	Very high	88.9	Confident	179 Å²	179	83.1 Å²	83.1	68%	0.675	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-45.6	178.6	-74.2	173.6	178.6	-172.5	-1.5	112.7	R146 L147 C152	R146-R150 WeakPolarHBondContact O-CB 3.45Å; R146-R150 WeakPolarHBondContact O-CG 3.43Å; R146-R150 PolarHBondContact O-N 3.49Å; L147-R150 PolarHBondContact O-N 3.19Å; R150-C152 VanDerWaalsContact C-N 3.34Å; R150-C152 PolarHBondContact O-N 3.03Å
151	A	88.4	Confident	88.7	Confident	34 Å²	34	78.8 Å²	78.8	28%	0.281	38%	0.377	S	S	.	.	H	α-helix	trans	-71.4	-29.7	-176.3	0	0	0	0	0	113.2	L147 I197	L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.38Å; L147-A151 PolarHBondContact O-N 2.93Å; A151-I197 HydrophobicContact CB-CD1 3.45Å; A151-I197 VanDerWaalsContact CB-CD1 3.45Å
152	C	87.2	Confident	88.5	Confident	5 Å²	5	83.5 Å²	83.5	3%	0.034	40%	0.398	C	S	.	.	H	α-helix	trans	-106.7	4.7	-175.7	-53	0	0	0	0	114.1	L148 R150 G154 N155 V156 L190	L148-C152 WeakPolarHBondContact O-CB 3.42Å; L148-C152 PolarHBondContact O-N 2.74Å; L148-C152 VanDerWaalsContact O-N 3.1Å; L148-C152 PolarHBondContact O-SG 3.32Å; L148-C152 VanDerWaalsContact O-SG 3.4Å; R150-C152 VanDerWaalsContact C-N 3.34Å; R150-C152 PolarHBondContact O-N 3.03Å; C152-G154 PolarHBondContact O-N 3.46Å; C152-N155 WeakPolarHBondContact O-CB 3.4Å; C152-N155 PolarHBondContact O-N 3.37Å; C152-N155 VanDerWaalsContact O-N 3.08Å; C152-V156 HydrophobicContact CB-CB 4.18Å; C152-V156 HydrophobicContact CB-CG2 3.36Å; C152-L190 HydrophobicContact CB-CD2 3.59Å
153	R	86.9	Confident	88.1	Confident	219 Å²	219	80.7 Å²	80.7	83%	0.826	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.3	179.9	-59.5	-175.4	176.1	178.6	-1.9	113.8	W149 N155	W149-R153 WeakPolarHBondContact O-CA 3.43Å; W149-R153 PolarHBondContact O-N 3.41Å; R153-N155 VanDerWaalsContact C-N 3.29Å; R153-N155 PolarHBondContact O-N 2.81Å
154	G	84.2	Confident	87.7	Confident	37 Å²	37	84.3 Å²	84.3	38%	0.381	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.6	-179.3	0	0	0	0	0	116.1	W149 C152 V156	W149-G154 PolarHBondContact O-N 2.89Å; C152-G154 PolarHBondContact O-N 3.46Å; G154-V156 PolarHBondContact O-N 3.17Å; G154-V156 VanDerWaalsContact O-N 3.11Å
155	N	86.5	Confident	87.3	Confident	112 Å²	112	90.5 Å²	90.5	60%	0.599	43%	0.431	S	S	*	.			trans	-77.9	11.2	-179.9	-65.6	-20.7	0	0	0	114.4	C152 R153 L190	C152-N155 WeakPolarHBondContact O-CB 3.4Å; C152-N155 PolarHBondContact O-N 3.37Å; C152-N155 VanDerWaalsContact O-N 3.08Å; R153-N155 VanDerWaalsContact C-N 3.29Å; R153-N155 PolarHBondContact O-N 2.81Å; N155-L190 HydrophobicContact CB-CD1 4.14Å
156	V	85.9	Confident	87	Confident	21 Å²	21	87.9 Å²	87.9	13%	0.127	42%	0.423	C	S	.	.			trans	-127.2	125.1	-173.3	177.4	0	0	0	0	108.8	L148 C152 G154 I183 F184 F185 L190 V194	L148-V156 HydrophobicContact CD1-CG1 4.26Å; L148-V156 HydrophobicContact CD2-CG1 3.77Å; L148-V156 HydrophobicContact CG-CB 4.46Å; L148-V156 HydrophobicContact CG-CG1 3.98Å; C152-V156 HydrophobicContact CB-CB 4.18Å; C152-V156 HydrophobicContact CB-CG2 3.36Å; G154-V156 PolarHBondContact O-N 3.17Å; G154-V156 VanDerWaalsContact O-N 3.11Å; V156-I183 HydrophobicContact CG1-CG2 3.12Å; V156-F184 WeakPolarHBondContact CA-O 3.44Å; V156-F185 HydrophobicContact CG2-CB 3.98Å; V156-L190 HydrophobicContact CG2-CD2 4.19Å; V156-V194 HydrophobicContact CG2-CG2 4.09Å
157	F	87.2	Confident	86.5	Confident	128 Å²	128	81.3 Å²	81.3	56%	0.561	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.6	178.5	-169.8	-103.8	0	0	0	109.5	K159 F184	F157-K159 HydrophobicContact CD1-CG 4.19Å; F157-K159 HydrophobicContact CE1-CD 4.24Å; F157-K159 HydrophobicContact CE1-CG 3.63Å; F157-K159 HydrophobicContact CZ-CG 4.5Å; F157-F184 HydrophobicContact CB-CB 4.18Å; F157-F184 HydrophobicContact CB-CD2 4.49Å; F157-F184 AromaticContact CD1-CD2 3.88Å; F157-F184 HydrophobicContact CD1-CD2 3.88Å; F157-F184 HydrophobicContact CD1-CE2 4.38Å; F157-F184 PolarHBondContact N-O 3.29Å; F157-F184 WeakPolarHBondContact O-CD2 3.39Å; F157-F184 PolarHBondContact O-N 2.89Å
158	L	87.8	Confident	85.8	Confident	33 Å²	33	81.5 Å²	81.5	17%	0.173	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.1	179.8	-177.9	71.9	0	0	0	109	F144 E145 L148 I181 V182 I183	F144-L158 HydrophobicContact CE1-CD1 4.24Å; E145-L158 HydrophobicContact CB-CD2 4.01Å; E145-L158 HydrophobicContact CG-CD2 3.88Å; L148-L158 HydrophobicContact CD2-CB 4.47Å; L148-L158 HydrophobicContact CD2-CD1 4.22Å; L158-I181 HydrophobicContact CD1-CB 3.83Å; L158-I181 HydrophobicContact CD1-CD1 4.47Å; L158-I181 HydrophobicContact CD1-CG2 4.08Å; L158-V182 WeakPolarHBondContact CA-O 3.3Å; L158-I183 HydrophobicContact CD1-CD1 4.47Å; L158-I183 HydrophobicContact CD1-CG1 3.77Å
159	K	87.6	Confident	85	Confident	123 Å²	123	82.6 Å²	82.6	54%	0.535	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.7	165.1	-78.9	-158.2	174.7	-169.7	0	109.8	F157 I181 V182 F184	F157-K159 HydrophobicContact CD1-CG 4.19Å; F157-K159 HydrophobicContact CE1-CD 4.24Å; F157-K159 HydrophobicContact CE1-CG 3.63Å; F157-K159 HydrophobicContact CZ-CG 4.5Å; K159-I181 CarbonylContact O-C 3.56Å; K159-I181 WeakPolarHBondContact O-CA 3.2Å; K159-V182 HydrophobicContact CB-CB 4.43Å; K159-V182 PolarHBondContact N-O 2.84Å; K159-V182 PolarHBondContact O-N 3.14Å; K159-F184 HydrophobicContact CB-CE2 4.42Å; K159-F184 HydrophobicContact CD-CE2 4.46Å; K159-F184 HydrophobicContact CG-CE2 4.23Å
160	Q	87.9	Confident	83.8	Confident	104 Å²	104	76 Å²	76	49%	0.486	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	149.2	172.8	65.7	-169.3	18	0	0	111.2	V180 I181	Q160-V180 CarbonylContact C-O 3.52Å; Q160-V180 WeakPolarHBondContact CA-O 3.37Å; Q160-I181 HydrophobicContact CB-CG2 4.1Å
161	A	86.4	Confident	82.8	Confident	39 Å²	39	73.2 Å²	73.2	32%	0.322	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.5	161.5	0	0	0	0	0	108.3	V180	A161-V180 PolarHBondContact N-O 3.43Å; A161-V180 PolarHBondContact O-N 2.92Å
162	E	84.7	Confident	82	Confident	111 Å²	111	77.4 Å²	77.4	52%	0.519	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.1	-179.9	-55.8	-170.4	152.9	0	0	110.3	R138 T179	R138-E162 IonicContact CZ-OE1 2.75Å; R138-E162 VanDerWaalsContact CZ-OE1 3.3Å; R138-E162 IonicContact CZ-OE2 3.76Å; R138-E162 IonicContact NE-OE1 2.68Å; R138-E162 PolarHBondContact NE-OE1 3.23Å; R138-E162 VanDerWaalsContact NE-OE1 3.15Å; R138-E162 VanDerWaalsContact NH2-CD 3.33Å; R138-E162 IonicContact NH2-OE1 3.32Å; R138-E162 PolarHBondContact NH2-OE1 3.23Å; R138-E162 IonicContact NH2-OE2 3.46Å; R138-E162 PolarHBondContact NH2-OE2 2.83Å; E162-T179 HydrophobicContact CB-CG2 4.27Å; E162-T179 HydrophobicContact CG-CG2 3.96Å
163	I	84.1	Confident	81.3	Confident	14 Å²	14	78.9 Å²	78.9	7%	0.072	42%	0.42	C	S	.	.			trans	-85.3	119.1	167.9	-54.2	176.6	0	0	0	105.8	H125 V135 E165 L167 K178 V180	H125-I163 HydrophobicContact CB-CD1 4.09Å; V135-I163 HydrophobicContact CG1-CD1 4.46Å; I163-E165 VanDerWaalsContact C-N 3.29Å; I163-E165 WeakPolarHBondContact CG2-O 3.31Å; I163-E165 PolarHBondContact O-N 3.3Å; I163-L167 HydrophobicContact CD1-CD1 3.85Å; I163-K178 WeakPolarHBondContact CB-O 3.48Å; I163-K178 HydrophobicContact CD1-CB 4.23Å; I163-K178 WeakPolarHBondContact CG1-O 3.47Å; I163-K178 PolarHBondContact N-O 3.44Å; I163-V180 HydrophobicContact CD1-CG2 3.88Å; I163-V180 HydrophobicContact CG1-CG2 3.81Å
164	S	82	Confident	80.9	Confident	110 Å²	110	72.8 Å²	72.8	77%	0.769	40%	0.404	S	S	*	.	S	Bend	trans	-64.7	-34.9	-176.8	47.2	0	0	0	0	112.5
165	E	83.6	Confident	80.9	Confident	129 Å²	129	78.3 Å²	78.3	60%	0.603	42%	0.42	S	S	*	.	S	Bend	trans	-87.6	129.4	178.6	-66.1	171.6	-167.3	0	0	109.6	I163	I163-E165 VanDerWaalsContact C-N 3.29Å; I163-E165 WeakPolarHBondContact CG2-O 3.31Å; I163-E165 PolarHBondContact O-N 3.3Å
166	P	83.8	Confident	80.8	Confident	47 Å²	47	74.5 Å²	74.5	31%	0.305	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-64.4	137.1	169.9	28.9	-32.7	0	0	0	109	Q175	P166-Q175 HydrophobicContact CB-CB 4.15Å
167	L	80.6	Confident	80.9	Confident	13 Å²	13	78 Å²	78	7%	0.068	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.8	175.8	-65.4	175.1	0	0	0	108	T121 E122 I163 V176 K178	T121-L167 HydrophobicContact CG2-CD2 4.07Å; E122-L167 HydrophobicContact CG-CD1 3.96Å; I163-L167 HydrophobicContact CD1-CD1 3.85Å; L167-V176 PolarHBondContact N-O 3.49Å; L167-V176 WeakPolarHBondContact O-CG2 3.46Å; L167-V176 PolarHBondContact O-N 3.36Å; L167-V176 VanDerWaalsContact O-O 3.11Å; L167-K178 HydrophobicContact CB-CD 4.19Å; L167-K178 HydrophobicContact CD1-CB 4.34Å; L167-K178 HydrophobicContact CD1-CD 4.11Å
168	E	77	Confident	80.9	Confident	72 Å²	72	72.1 Å²	72.1	34%	0.336	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	146.1	170.6	-160.3	175.3	179.2	0	0	109.2	Q114 L118 G173 D174 K178	Q114-E168 PolarHBondContact NE2-OE1 3.31Å; Q114-E168 PolarHBondContact NE2-OE2 3.26Å; L118-E168 HydrophobicContact CD1-CB 4.27Å; L118-E168 WeakPolarHBondContact CD1-O 3.49Å; L118-E168 HydrophobicContact CD2-CB 4.11Å; L118-E168 WeakPolarHBondContact CD2-O 3.39Å; E168-G173 WeakPolarHBondContact CG-O 3.44Å; E168-D174 CarbonylContact C-O 3.54Å; E168-D174 WeakPolarHBondContact CA-O 3.49Å; E168-K178 PolarHBondContact O-NZ 2.91Å
169	D	71.2	Confident	80.8	Confident	28 Å²	28	70.6 Å²	70.6	15%	0.15	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-87.4	126.6	172.8	-158.4	38.8	0	0	0	109.3	V171 G173 D174 V176 K178	D169-V171 PolarHBondContact O-N 2.85Å; D169-G173 WeakPolarHBondContact O-CA 3.48Å; D169-G173 PolarHBondContact O-N 2.72Å; D169-D174 PolarHBondContact N-O 2.95Å; D169-V176 HydrophobicContact CB-CG1 4.26Å; D169-V176 HydrophobicContact CB-CG2 3.81Å; D169-K178 IonicContact OD1-NZ 3.15Å; D169-K178 PolarHBondContact OD1-NZ 2.64Å
170	P	66	Low	80.7	Confident	37 Å²	37	65 Å²	65	24%	0.24	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.1	-173.6	21.5	-32	0	0	0	114.6	K115 L118	K115-P170 HydrophobicContact CG-CB 4.07Å; L118-P170 HydrophobicContact CD2-CB 3.72Å; L118-P170 HydrophobicContact CD2-CG 4.21Å
171	V	69.7	Low	80.6	Confident	122 Å²	122	60.1 Å²	60.1	74%	0.739	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-44.5	-176.5	-172.8	0	0	0	0	111.8	D169	D169-V171 PolarHBondContact O-N 2.85Å
172	L	72.2	Confident	80.4	Confident	121 Å²	121	58.6 Å²	58.6	63%	0.634	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-23.5	-179	-93.4	84.4	0	0	0	114	D174	L172-D174 HydrophobicContact CB-CB 4.25Å; L172-D174 WeakPolarHBondContact CD2-OD2 3.45Å; L172-D174 PolarHBondContact O-N 3.12Å
173	G	71	Confident	80.4	Confident	37 Å²	37	53.5 Å²	53.5	38%	0.381	30%	0.298	S	S	.	.			trans	75.2	3.4	-168.2	0	0	0	0	0	113.7	E168 D169	E168-G173 WeakPolarHBondContact CG-O 3.44Å; D169-G173 WeakPolarHBondContact O-CA 3.48Å; D169-G173 PolarHBondContact O-N 2.72Å
174	D	79.6	Confident	80.4	Confident	91 Å²	91	56.2 Å²	56.2	49%	0.487	31%	0.309	S	S	.	.			trans	-78.1	145.1	179.5	-75	-19	0	0	0	111.3	E168 D169 L172 V176	E168-D174 CarbonylContact C-O 3.54Å; E168-D174 WeakPolarHBondContact CA-O 3.49Å; D169-D174 PolarHBondContact N-O 2.95Å; L172-D174 HydrophobicContact CB-CB 4.25Å; L172-D174 WeakPolarHBondContact CD2-OD2 3.45Å; L172-D174 PolarHBondContact O-N 3.12Å; D174-V176 HydrophobicContact CB-CG1 4.47Å; D174-V176 PolarHBondContact O-N 3.33Å
175	Q	83	Confident	80.5	Confident	152 Å²	152	53.2 Å²	53.2	71%	0.71	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	110.9	172.7	-70.9	-161.8	3.4	0	0	110.5	P166	P166-Q175 HydrophobicContact CB-CB 4.15Å
176	V	85.7	Confident	80.6	Confident	32 Å²	32	55.7 Å²	55.7	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.9	-175.8	-68.5	0	0	0	0	111.8	L137 L167 D169 D174 K178	L137-V176 HydrophobicContact CD2-CB 3.72Å; L137-V176 HydrophobicContact CD2-CG1 4.21Å; L137-V176 HydrophobicContact CD2-CG2 3.75Å; L167-V176 PolarHBondContact N-O 3.49Å; L167-V176 WeakPolarHBondContact O-CG2 3.46Å; L167-V176 PolarHBondContact O-N 3.36Å; L167-V176 VanDerWaalsContact O-O 3.11Å; D169-V176 HydrophobicContact CB-CG1 4.26Å; D169-V176 HydrophobicContact CB-CG2 3.81Å; D174-V176 HydrophobicContact CB-CG1 4.47Å; D174-V176 PolarHBondContact O-N 3.33Å; V176-K178 HydrophobicContact CG2-CD 4.26Å; V176-K178 HydrophobicContact CG2-CG 4.27Å; V176-K178 PolarHBondContact O-N 2.9Å
177	H	87.8	Confident	80.6	Confident	94 Å²	94	55.7 Å²	55.7	44%	0.435	30%	0.303	S	S	.	.			trans	-79.5	117	173.1	-71.8	-73.6	0	0	0	110.4	R138	R138-H177 HydrophobicContact CB-CB 4.35Å; R138-H177 VanDerWaalsContact CB-O 3.32Å; R138-H177 WeakPolarHBondContact CB-O 3.38Å; R138-H177 PolarHBondContact N-O 3.42Å
178	K	87	Confident	80.7	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.022	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.5	178.5	-72.7	174.5	177	159.5	0	110.1	E122 V135 I136 L137 I163 L167 E168 D169 V176	E122-K178 WeakPolarHBondContact OE1-CD 3.44Å; E122-K178 WeakPolarHBondContact OE1-CE 3.36Å; E122-K178 IonicContact OE1-NZ 3.18Å; E122-K178 PolarHBondContact OE1-NZ 2.92Å; V135-K178 HydrophobicContact CG1-CB 3.63Å; V135-K178 HydrophobicContact CG1-CD 3.96Å; V135-K178 HydrophobicContact CG1-CG 4.11Å; I136-K178 CarbonylContact O-C 3.57Å; I136-K178 WeakPolarHBondContact O-CA 3.41Å; L137-K178 HydrophobicContact CD2-CG 4.06Å; I163-K178 WeakPolarHBondContact CB-O 3.48Å; I163-K178 HydrophobicContact CD1-CB 4.23Å; I163-K178 WeakPolarHBondContact CG1-O 3.47Å; I163-K178 PolarHBondContact N-O 3.44Å; L167-K178 HydrophobicContact CB-CD 4.19Å; L167-K178 HydrophobicContact CD1-CB 4.34Å; L167-K178 HydrophobicContact CD1-CD 4.11Å; E168-K178 PolarHBondContact O-NZ 2.91Å; D169-K178 IonicContact OD1-NZ 3.15Å; D169-K178 PolarHBondContact OD1-NZ 2.64Å; V176-K178 HydrophobicContact CG2-CD 4.26Å; V176-K178 HydrophobicContact CG2-CG 4.27Å; V176-K178 PolarHBondContact O-N 2.9Å
179	T	86.4	Confident	81.1	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.3	179.6	62	0	0	0	0	110.3	V135 I136 R138 I141 E162	V135-T179 WeakPolarHBondContact CA-O 3.38Å; I136-T179 WeakPolarHBondContact CG2-OG1 3.3Å; I136-T179 PolarHBondContact N-O 2.64Å; I136-T179 PolarHBondContact O-N 2.99Å; I136-T179 PolarHBondContact O-OG1 2.75Å; R138-T179 HydrophobicContact CB-CG2 4.15Å; R138-T179 HydrophobicContact CG-CG2 4.1Å; I141-T179 HydrophobicContact CD1-CG2 3.55Å; I141-T179 WeakPolarHBondContact CD1-OG1 3.18Å; I141-T179 WeakPolarHBondContact CG1-OG1 3.38Å; E162-T179 HydrophobicContact CB-CG2 4.27Å; E162-T179 HydrophobicContact CG-CG2 3.96Å
180	V	85.1	Confident	81.7	Confident	6 Å²	6	67 Å²	67	4%	0.036	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117	177	-176.2	0	0	0	0	108.8	H125 K129 G134 V135 Q160 A161 I163	H125-V180 HydrophobicContact CB-CG2 4.08Å; K129-V180 HydrophobicContact CD-CG1 4.21Å; G134-V180 CarbonylContact O-C 3.58Å; G134-V180 WeakPolarHBondContact O-CA 3.4Å; V135-V180 HydrophobicContact CG2-CG2 4.31Å; Q160-V180 CarbonylContact C-O 3.52Å; Q160-V180 WeakPolarHBondContact CA-O 3.37Å; A161-V180 PolarHBondContact N-O 3.43Å; A161-V180 PolarHBondContact O-N 2.92Å; I163-V180 HydrophobicContact CD1-CG2 3.88Å; I163-V180 HydrophobicContact CG1-CG2 3.81Å
181	I	85.6	Confident	82.5	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.2	175.4	51.3	167.8	0	0	0	110.6	A133 G134 I136 F144 L158 K159 Q160 I183 I202	A133-I181 CarbonylContact C-O 3.49Å; A133-I181 WeakPolarHBondContact CA-O 3.48Å; G134-I181 PolarHBondContact N-O 3.02Å; G134-I181 WeakPolarHBondContact O-CG1 3.37Å; G134-I181 PolarHBondContact O-N 3.18Å; I136-I181 HydrophobicContact CB-CD1 4.47Å; I136-I181 HydrophobicContact CG2-CD1 4.09Å; I136-I181 HydrophobicContact CG2-CG1 4.22Å; I136-I181 HydrophobicContact CG2-CG2 4.03Å; F144-I181 HydrophobicContact CD1-CD1 3.84Å; F144-I181 HydrophobicContact CE1-CD1 3.29Å; F144-I181 HydrophobicContact CZ-CD1 3.76Å; L158-I181 HydrophobicContact CD1-CB 3.83Å; L158-I181 HydrophobicContact CD1-CD1 4.47Å; L158-I181 HydrophobicContact CD1-CG2 4.08Å; K159-I181 CarbonylContact O-C 3.56Å; K159-I181 WeakPolarHBondContact O-CA 3.2Å; Q160-I181 HydrophobicContact CB-CG2 4.1Å; I181-I183 HydrophobicContact CD1-CD1 4.45Å; I181-I202 HydrophobicContact CD1-CD1 3.33Å; I181-I202 HydrophobicContact CD1-CG1 3.98Å; I181-I202 HydrophobicContact CG1-CD1 4.15Å
182	V	83.2	Confident	83.2	Confident	7 Å²	7	67.7 Å²	67.7	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.9	172.9	-176.1	0	0	0	0	107.9	K129 F131 V132 A133 L158 K159 F184	K129-V182 HydrophobicContact CB-CG2 4.19Å; K129-V182 HydrophobicContact CD-CG2 3.41Å; K129-V182 VanDerWaalsContact CD-CG2 3.41Å; K129-V182 HydrophobicContact CG-CG2 4.44Å; F131-V182 HydrophobicContact CB-CG1 3.76Å; V132-V182 VanDerWaalsContact O-CA 3.31Å; V132-V182 WeakPolarHBondContact O-CA 3.48Å; A133-V182 HydrophobicContact CB-CG2 4.13Å; L158-V182 WeakPolarHBondContact CA-O 3.3Å; K159-V182 HydrophobicContact CB-CB 4.43Å; K159-V182 PolarHBondContact N-O 2.84Å; K159-V182 PolarHBondContact O-N 3.14Å; V182-F184 HydrophobicContact CB-CE2 4.23Å; V182-F184 HydrophobicContact CG1-CD2 4.29Å; V182-F184 HydrophobicContact CG1-CE1 4.36Å; V182-F184 HydrophobicContact CG1-CE2 3.62Å; V182-F184 HydrophobicContact CG1-CZ 3.66Å
183	I	84.3	Confident	83.8	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.5	-174	-49.9	179.8	0	0	0	109.4	V132 F144 L148 V156 L158 I181 F185 V194 C198	V132-I183 PolarHBondContact O-N 3.29Å; F144-I183 HydrophobicContact CE1-CD1 3.95Å; F144-I183 HydrophobicContact CZ-CD1 3.71Å; L148-I183 HydrophobicContact CD2-CD1 4.23Å; L148-I183 HydrophobicContact CD2-CG2 4.06Å; V156-I183 HydrophobicContact CG1-CG2 3.12Å; L158-I183 HydrophobicContact CD1-CD1 4.47Å; L158-I183 HydrophobicContact CD1-CG1 3.77Å; I181-I183 HydrophobicContact CD1-CD1 4.45Å; I183-F185 HydrophobicContact CG2-CD1 4.05Å; I183-V194 HydrophobicContact CB-CG1 4.47Å; I183-V194 HydrophobicContact CD1-CG1 3.92Å; I183-V194 HydrophobicContact CG2-CG1 3.91Å; I183-C198 VanDerWaalsContact CD1-SG 3.56Å
184	F	84.4	Confident	84.6	Confident	70 Å²	70	66.9 Å²	66.9	31%	0.307	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.6	175.7	-56.4	-93.7	0	0	0	109.8	F131 V156 F157 K159 V182	F131-F184 HydrophobicContact CB-CE1 4.04Å; F131-F184 HydrophobicContact CB-CZ 4.5Å; F131-F184 HydrophobicContact CD1-CD1 4.43Å; F131-F184 HydrophobicContact CD1-CE1 4.09Å; F131-F184 AromaticContact CD2-CE1 3.47Å; F131-F184 HydrophobicContact CD2-CE1 3.47Å; F131-F184 VanDerWaalsContact CD2-CE1 3.47Å; F131-F184 AromaticContact CD2-CZ 3.95Å; F131-F184 HydrophobicContact CD2-CZ 3.95Å; F131-F184 HydrophobicContact CE1-CE1 4.44Å; F131-F184 AromaticContact CE2-CE1 3.87Å; F131-F184 HydrophobicContact CE2-CE1 3.87Å; F131-F184 HydrophobicContact CE2-CZ 4.5Å; F131-F184 HydrophobicContact CG-CD1 4.25Å; F131-F184 AromaticContact CG-CE1 3.59Å; F131-F184 HydrophobicContact CG-CE1 3.59Å; F131-F184 HydrophobicContact CG-CZ 4.31Å; F131-F184 HydrophobicContact CZ-CE1 4.34Å; V156-F184 WeakPolarHBondContact CA-O 3.44Å; F157-F184 HydrophobicContact CB-CB 4.18Å; F157-F184 HydrophobicContact CB-CD2 4.49Å; F157-F184 AromaticContact CD1-CD2 3.88Å; F157-F184 HydrophobicContact CD1-CD2 3.88Å; F157-F184 HydrophobicContact CD1-CE2 4.38Å; F157-F184 PolarHBondContact N-O 3.29Å; F157-F184 WeakPolarHBondContact O-CD2 3.39Å; F157-F184 PolarHBondContact O-N 2.89Å; K159-F184 HydrophobicContact CB-CE2 4.42Å; K159-F184 HydrophobicContact CD-CE2 4.46Å; K159-F184 HydrophobicContact CG-CE2 4.23Å; V182-F184 HydrophobicContact CB-CE2 4.23Å; V182-F184 HydrophobicContact CG1-CD2 4.29Å; V182-F184 HydrophobicContact CG1-CE1 4.36Å; V182-F184 HydrophobicContact CG1-CE2 3.62Å; V182-F184 HydrophobicContact CG1-CZ 3.66Å
185	F	84.3	Confident	84.8	Confident	48 Å²	48	66.9 Å²	66.9	21%	0.211	32%	0.324	C	S	.	.			trans	-147.4	153.1	176.8	55.1	-96.3	0	0	0	109.4	V132 V156 I183 L190 K191 V194 F207	V132-F185 HydrophobicContact CB-CE1 4.33Å; V132-F185 HydrophobicContact CG1-CE1 4.43Å; V132-F185 HydrophobicContact CG2-CE1 3.97Å; V132-F185 HydrophobicContact CG2-CZ 3.96Å; V156-F185 HydrophobicContact CG2-CB 3.98Å; I183-F185 HydrophobicContact CG2-CD1 4.05Å; F185-L190 HydrophobicContact CB-CB 4.35Å; F185-K191 HydrophobicContact CD2-CB 4.12Å; F185-K191 VanDerWaalsContact CE2-CA 3.47Å; F185-K191 HydrophobicContact CE2-CB 3.38Å; F185-K191 HydrophobicContact CE2-CD 4.26Å; F185-K191 HydrophobicContact CE2-CG 3.61Å; F185-K191 HydrophobicContact CZ-CB 3.97Å; F185-K191 HydrophobicContact CZ-CG 3.74Å; F185-V194 HydrophobicContact CD1-CB 4.3Å; F185-V194 HydrophobicContact CD1-CG1 4.12Å; F185-V194 HydrophobicContact CD1-CG2 4.08Å; F185-V194 HydrophobicContact CE1-CB 4.34Å; F185-V194 HydrophobicContact CE1-CG1 4.03Å; F185-V194 HydrophobicContact CG-CG2 4.43Å; F185-F207 HydrophobicContact CZ-CE1 4.45Å
186	Q	84	Confident	84.9	Confident	180 Å²	180	67 Å²	67	84%	0.841	32%	0.323	S	S	*	.			trans	-117.1	124.8	175.5	-171.6	174.4	-3.7	0	0	109.5	L190	Q186-L190 WeakPolarHBondContact O-CD1 3.45Å
187	G	84	Confident	84.9	Confident	47 Å²	47	66.5 Å²	66.5	49%	0.485	32%	0.319	S	S	.	.	S	Bend	trans	110.2	145.3	177	0	0	0	0	0	115.1	L190 K191	G187-L190 PolarHBondContact O-N 3.01Å; G187-K191 PolarHBondContact O-N 3.28Å; G187-K191 VanDerWaalsContact O-N 3.1Å
188	E	83.9	Confident	84.8	Confident	165 Å²	165	62.1 Å²	62.1	77%	0.771	30%	0.298	S	S	*	.	H	α-helix	trans	-70.6	-33.7	-175.8	-67.6	-162	143.6	0	0	113.9	L190 K191 T192	E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.12Å; E188-K191 WeakPolarHBondContact O-CB 3.47Å; E188-K191 PolarHBondContact O-N 3.19Å; E188-T192 PolarHBondContact O-N 3.43Å; E188-T192 VanDerWaalsContact O-N 3.11Å; E188-T192 PolarHBondContact O-OG1 2.68Å
189	Q	84.4	Confident	84.6	Confident	156 Å²	156	67.7 Å²	67.7	73%	0.729	33%	0.325	S	S	*	.	H	α-helix	trans	-66	-37.9	176.7	-66.5	-170.8	0.3	0	0	112	T192 R193	Q189-T192 PolarHBondContact O-OG1 3.49Å; Q189-R193 PolarHBondContact O-N 2.88Å
190	L	84.4	Confident	84.4	Confident	31 Å²	31	70.3 Å²	70.3	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-68	-40.9	173.2	-83.2	159.7	0	0	0	110.7	C152 N155 V156 F185 Q186 G187 E188 T192 R193 V194	C152-L190 HydrophobicContact CB-CD2 3.59Å; N155-L190 HydrophobicContact CB-CD1 4.14Å; V156-L190 HydrophobicContact CG2-CD2 4.19Å; F185-L190 HydrophobicContact CB-CB 4.35Å; Q186-L190 WeakPolarHBondContact O-CD1 3.45Å; G187-L190 PolarHBondContact O-N 3.01Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 3.12Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.46Å; L190-R193 PolarHBondContact O-N 3.33Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.29Å; L190-V194 PolarHBondContact O-N 3.07Å
191	K	83.3	Confident	84.1	Confident	90 Å²	90	73.5 Å²	73.5	39%	0.391	36%	0.364	S	S	.	.	H	α-helix	trans	-52.6	-48.5	175.6	-172.2	175.9	177.8	-177	0	112.5	F185 G187 E188 K195 F207	F185-K191 HydrophobicContact CD2-CB 4.12Å; F185-K191 VanDerWaalsContact CE2-CA 3.47Å; F185-K191 HydrophobicContact CE2-CB 3.38Å; F185-K191 HydrophobicContact CE2-CD 4.26Å; F185-K191 HydrophobicContact CE2-CG 3.61Å; F185-K191 HydrophobicContact CZ-CB 3.97Å; F185-K191 HydrophobicContact CZ-CG 3.74Å; G187-K191 PolarHBondContact O-N 3.28Å; G187-K191 VanDerWaalsContact O-N 3.1Å; E188-K191 WeakPolarHBondContact O-CB 3.47Å; E188-K191 PolarHBondContact O-N 3.19Å; K191-K195 VanDerWaalsContact O-CB 3.25Å; K191-K195 WeakPolarHBondContact O-CB 3.44Å; K191-K195 PolarHBondContact O-N 3.01Å; K191-F207 HydrophobicContact CD-CE1 4.43Å; K191-F207 HydrophobicContact CG-CE1 4.07Å
192	T	83.8	Confident	83.6	Confident	83 Å²	83	73.9 Å²	73.9	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-68	-37.7	-178.8	53.6	0	0	0	0	112.5	E188 Q189 L190 K196	E188-T192 PolarHBondContact O-N 3.43Å; E188-T192 VanDerWaalsContact O-N 3.11Å; E188-T192 PolarHBondContact O-OG1 2.68Å; Q189-T192 PolarHBondContact O-OG1 3.49Å; L190-T192 VanDerWaalsContact C-N 3.33Å; L190-T192 PolarHBondContact O-N 3.46Å; T192-K196 WeakPolarHBondContact O-CG 3.32Å; T192-K196 PolarHBondContact O-N 3.06Å; T192-K196 VanDerWaalsContact O-N 3.17Å
193	R	85.2	Confident	82.7	Confident	139 Å²	139	79.1 Å²	79.1	53%	0.525	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-48.5	174.4	-71.2	-176.2	-174.3	-172.9	3.9	112.4	Q189 L190 K195 K196 I197	Q189-R193 PolarHBondContact O-N 2.88Å; L190-R193 PolarHBondContact O-N 3.33Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.43Å; R193-K196 PolarHBondContact O-N 2.89Å; R193-I197 WeakPolarHBondContact O-CG1 3.06Å; R193-I197 PolarHBondContact O-N 3.4Å; R193-I197 VanDerWaalsContact O-N 3.11Å
194	V	86.5	Confident	81.7	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.012	40%	0.399	C	S	.	.	H	α-helix	trans	-59	-45.7	176.9	172.2	0	0	0	0	109.8	L148 V156 I183 F185 L190 K196 I197 C198	L148-V194 HydrophobicContact CD1-CB 4.47Å; L148-V194 HydrophobicContact CD1-CG1 4.18Å; L148-V194 HydrophobicContact CD1-CG2 3.96Å; V156-V194 HydrophobicContact CG2-CG2 4.09Å; I183-V194 HydrophobicContact CB-CG1 4.47Å; I183-V194 HydrophobicContact CD1-CG1 3.92Å; I183-V194 HydrophobicContact CG2-CG1 3.91Å; F185-V194 HydrophobicContact CD1-CB 4.3Å; F185-V194 HydrophobicContact CD1-CG1 4.12Å; F185-V194 HydrophobicContact CD1-CG2 4.08Å; F185-V194 HydrophobicContact CE1-CB 4.34Å; F185-V194 HydrophobicContact CE1-CG1 4.03Å; F185-V194 HydrophobicContact CG-CG2 4.43Å; L190-V194 WeakPolarHBondContact O-CB 3.45Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.29Å; L190-V194 PolarHBondContact O-N 3.07Å; V194-K196 PolarHBondContact O-N 3.1Å; V194-I197 PolarHBondContact O-N 2.89Å; V194-I197 VanDerWaalsContact O-N 3.15Å; V194-C198 WeakPolarHBondContact O-CB 3.44Å; V194-C198 PolarHBondContact O-N 2.92Å; V194-C198 PolarHBondContact O-SG 3.25Å
195	K	84.1	Confident	80.6	Confident	90 Å²	90	79.1 Å²	79.1	39%	0.391	40%	0.396	S	S	.	.	H	α-helix	trans	-55.7	-47.5	177.3	-171.7	178.8	-178.3	-165.6	0	112.5	K191 R193 I197 C198 E199 L205 F207	K191-K195 VanDerWaalsContact O-CB 3.25Å; K191-K195 WeakPolarHBondContact O-CB 3.44Å; K191-K195 PolarHBondContact O-N 3.01Å; R193-K195 VanDerWaalsContact C-N 3.31Å; R193-K195 PolarHBondContact O-N 3.43Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 3.48Å; K195-C198 WeakPolarHBondContact O-CB 3.26Å; K195-C198 PolarHBondContact O-N 3.35Å; K195-E199 WeakPolarHBondContact CE-OE1 3.45Å; K195-E199 IonicContact NZ-OE1 3.78Å; K195-E199 WeakPolarHBondContact O-CG 3.31Å; K195-E199 PolarHBondContact O-N 2.86Å; K195-L205 HydrophobicContact CB-CD2 4.38Å; K195-L205 HydrophobicContact CG-CD2 3.79Å; K195-F207 HydrophobicContact CB-CZ 4.17Å; K195-F207 HydrophobicContact CD-CE2 4Å; K195-F207 HydrophobicContact CD-CZ 3.88Å; K195-F207 HydrophobicContact CG-CE2 4.32Å; K195-F207 HydrophobicContact CG-CZ 3.97Å
196	K	84.8	Confident	79.6	Confident	156 Å²	156	77.7 Å²	77.7	68%	0.678	39%	0.392	S	S	*	.	H	α-helix	trans	-62.7	-37.3	177.8	-73.3	-177.8	178.5	-173.2	0	113.1	T192 R193 V194	T192-K196 WeakPolarHBondContact O-CG 3.32Å; T192-K196 PolarHBondContact O-N 3.06Å; T192-K196 VanDerWaalsContact O-N 3.17Å; R193-K196 PolarHBondContact O-N 2.89Å; V194-K196 PolarHBondContact O-N 3.1Å
197	I	87.3	Confident	78.4	Confident	21 Å²	21	72.3 Å²	72.3	11%	0.108	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-41.8	176.6	-64.3	166.5	0	0	0	110.1	F144 L147 L148 A151 R193 V194 K195 G200	F144-I197 HydrophobicContact CD2-CG2 4.12Å; F144-I197 HydrophobicContact CE2-CG2 3.74Å; L147-I197 HydrophobicContact CD2-CG2 3.78Å; L147-I197 HydrophobicContact CG-CG2 4.04Å; L148-I197 HydrophobicContact CD1-CD1 4.46Å; A151-I197 HydrophobicContact CB-CD1 3.45Å; A151-I197 VanDerWaalsContact CB-CD1 3.45Å; R193-I197 WeakPolarHBondContact O-CG1 3.06Å; R193-I197 PolarHBondContact O-N 3.4Å; R193-I197 VanDerWaalsContact O-N 3.11Å; V194-I197 PolarHBondContact O-N 2.89Å; V194-I197 VanDerWaalsContact O-N 3.15Å; K195-I197 VanDerWaalsContact C-N 3.33Å; K195-I197 PolarHBondContact O-N 3.48Å; I197-G200 PolarHBondContact O-N 3.34Å
198	C	84.3	Confident	77.5	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.007	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-45.9	175.2	-68.4	0	0	0	0	111.8	I183 V194 K195 G200 Y201 I202 L205	I183-C198 VanDerWaalsContact CD1-SG 3.56Å; V194-C198 WeakPolarHBondContact O-CB 3.44Å; V194-C198 PolarHBondContact O-N 2.92Å; V194-C198 PolarHBondContact O-SG 3.25Å; K195-C198 WeakPolarHBondContact O-CB 3.26Å; K195-C198 PolarHBondContact O-N 3.35Å; C198-G200 PolarHBondContact O-N 3.23Å; C198-G200 VanDerWaalsContact O-N 3.1Å; C198-Y201 PolarHBondContact O-N 3.29Å; C198-I202 HydrophobicContact CB-CB 4.43Å; C198-I202 HydrophobicContact CB-CD1 3.67Å; C198-I202 HydrophobicContact CB-CG1 4.22Å; C198-I202 WeakPolarHBondContact O-CA 3.47Å; C198-I202 VanDerWaalsContact O-CB 3.28Å; C198-I202 WeakPolarHBondContact O-CB 3.29Å; C198-I202 PolarHBondContact O-N 3.1Å; C198-I202 VanDerWaalsContact SG-CD1 3.5Å; C198-L205 HydrophobicContact CB-CD1 3.85Å; C198-L205 HydrophobicContact CB-CD2 4.19Å
199	E	82.6	Confident	76.5	Confident	123 Å²	123	73.1 Å²	73.1	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-58.4	-24.8	178.7	-74.6	168	179.5	0	0	113.3	K195	K195-E199 WeakPolarHBondContact CE-OE1 3.45Å; K195-E199 IonicContact NZ-OE1 3.78Å; K195-E199 WeakPolarHBondContact O-CG 3.31Å; K195-E199 PolarHBondContact O-N 2.86Å
200	G	82.1	Confident	75.8	Confident	56 Å²	56	69.3 Å²	69.3	58%	0.577	34%	0.339	S	S	*	.	H	α-helix	trans	-82.3	-18.5	175.9	0	0	0	0	0	115.4	I197 C198	I197-G200 PolarHBondContact O-N 3.34Å; C198-G200 PolarHBondContact O-N 3.23Å; C198-G200 VanDerWaalsContact O-N 3.1Å
201	Y	79.9	Confident	75.2	Confident	72 Å²	72	74.4 Å²	74.4	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-128.8	-23.8	-170.9	-77.5	-94.9	0	0	0	114.7	I136 R140 A143 F144 L147 C198	I136-Y201 HydrophobicContact CD1-CD1 4.27Å; R140-Y201 HydrophobicContact CB-CD1 4.23Å; A143-Y201 HydrophobicContact CB-CE1 4.18Å; F144-Y201 HydrophobicContact CB-CD1 4.12Å; F144-Y201 HydrophobicContact CB-CG 4.35Å; F144-Y201 HydrophobicContact CD2-CD1 4.28Å; F144-Y201 AromaticContact CD2-CD2 3.93Å; F144-Y201 HydrophobicContact CD2-CD2 3.93Å; F144-Y201 AromaticContact CD2-CG 3.67Å; F144-Y201 HydrophobicContact CD2-CG 3.67Å; F144-Y201 HydrophobicContact CG-CG 4.48Å; L147-Y201 HydrophobicContact CD2-CD2 4.41Å; L147-Y201 HydrophobicContact CD2-CE2 3.57Å; C198-Y201 PolarHBondContact O-N 3.29Å
202	I	73.7	Confident	75	Confident	10 Å²	10	77.5 Å²	77.5	5%	0.051	38%	0.381	C	S	.	.			trans	-116.4	128.8	-170.7	-52.8	-178.4	0	0	0	108.4	V135 F144 I181 C198 I204	V135-I202 WeakPolarHBondContact O-CG2 3.19Å; F144-I202 HydrophobicContact CE2-CD1 4.09Å; F144-I202 HydrophobicContact CE2-CG1 4.18Å; F144-I202 HydrophobicContact CZ-CD1 3.8Å; F144-I202 HydrophobicContact CZ-CG1 4.35Å; I181-I202 HydrophobicContact CD1-CD1 3.33Å; I181-I202 HydrophobicContact CD1-CG1 3.98Å; I181-I202 HydrophobicContact CG1-CD1 4.15Å; C198-I202 HydrophobicContact CB-CB 4.43Å; C198-I202 HydrophobicContact CB-CD1 3.67Å; C198-I202 HydrophobicContact CB-CG1 4.22Å; C198-I202 WeakPolarHBondContact O-CA 3.47Å; C198-I202 VanDerWaalsContact O-CB 3.28Å; C198-I202 WeakPolarHBondContact O-CB 3.29Å; C198-I202 PolarHBondContact O-N 3.1Å; C198-I202 VanDerWaalsContact SG-CD1 3.5Å; I202-I204 VanDerWaalsContact CG2-O 3.25Å; I202-I204 WeakPolarHBondContact CG2-O 3.36Å
203	N	64.7	Low	74.6	Confident	117 Å²	117	77.5 Å²	77.5	63%	0.626	38%	0.377	S	S	*	.	S	Bend	trans	-75.3	-32.7	179.9	-73.3	-12.2	0	0	0	113.3
204	I	63	Low	74.3	Confident	29 Å²	29	71.4 Å²	71.4	15%	0.149	36%	0.356	C	S	.	.			trans	-132.6	119.8	-174.8	-54.7	174.9	0	0	0	109.7	E119 E122 L123 I126 G134 I202	E119-I204 WeakPolarHBondContact O-CD1 3.48Å; E122-I204 HydrophobicContact CB-CD1 3.87Å; L123-I204 HydrophobicContact CB-CD1 4.4Å; L123-I204 HydrophobicContact CD1-CG2 4.06Å; L123-I204 HydrophobicContact CG-CG2 4.17Å; I126-I204 HydrophobicContact CD1-CB 3.85Å; I126-I204 HydrophobicContact CD1-CG2 3.71Å; G134-I204 VanDerWaalsContact CA-O 3.24Å; G134-I204 WeakPolarHBondContact CA-O 3.43Å; I202-I204 VanDerWaalsContact CG2-O 3.25Å; I202-I204 WeakPolarHBondContact CG2-O 3.36Å
205	L	62	Low	74.1	Confident	45 Å²	45	75.8 Å²	75.8	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.3	175.3	-168.9	77.4	0	0	0	109.7	V132 K195 C198 F207	V132-L205 HydrophobicContact CG1-CD1 3.73Å; V132-L205 HydrophobicContact CG1-CG 4.34Å; K195-L205 HydrophobicContact CB-CD2 4.38Å; K195-L205 HydrophobicContact CG-CD2 3.79Å; C198-L205 HydrophobicContact CB-CD1 3.85Å; C198-L205 HydrophobicContact CB-CD2 4.19Å; L205-F207 HydrophobicContact CD2-CD2 4.32Å; L205-F207 HydrophobicContact CD2-CE1 4.29Å; L205-F207 HydrophobicContact CD2-CE2 3.37Å; L205-F207 HydrophobicContact CD2-CZ 3.34Å; L205-F207 HydrophobicContact CG-CE2 4Å; L205-F207 HydrophobicContact CG-CZ 4.18Å
206	S	63.3	Low	74.2	Confident	19 Å²	19	72.9 Å²	72.9	13%	0.133	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.3	172	-172.7	0	0	0	0	110.7	V132 A133	V132-S206 WeakPolarHBondContact CA-O 3.2Å; A133-S206 PolarHBondContact N-O 3.2Å; A133-S206 PolarHBondContact O-N 2.98Å
207	F	59.7	Low	74.2	Confident	67 Å²	67	65.8 Å²	65.8	29%	0.294	34%	0.343	S	S	.	.	S	Bend	trans	-93.2	-13.5	-178.8	-78.1	-80.9	0	0	0	114	V132 F185 K191 K195 L205	V132-F207 HydrophobicContact CG1-CD1 4.29Å; V132-F207 HydrophobicContact CG1-CE1 4.19Å; V132-F207 HydrophobicContact CG2-CD1 3.63Å; V132-F207 HydrophobicContact CG2-CE1 4.06Å; F185-F207 HydrophobicContact CZ-CE1 4.45Å; K191-F207 HydrophobicContact CD-CE1 4.43Å; K191-F207 HydrophobicContact CG-CE1 4.07Å; K195-F207 HydrophobicContact CB-CZ 4.17Å; K195-F207 HydrophobicContact CD-CE2 4Å; K195-F207 HydrophobicContact CD-CZ 3.88Å; K195-F207 HydrophobicContact CG-CE2 4.32Å; K195-F207 HydrophobicContact CG-CZ 3.97Å; L205-F207 HydrophobicContact CD2-CD2 4.32Å; L205-F207 HydrophobicContact CD2-CE1 4.29Å; L205-F207 HydrophobicContact CD2-CE2 3.37Å; L205-F207 HydrophobicContact CD2-CZ 3.34Å; L205-F207 HydrophobicContact CG-CE2 4Å; L205-F207 HydrophobicContact CG-CZ 4.18Å
208	R	64.8	Low	74.1	Confident	210 Å²	210	68.4 Å²	68.4	79%	0.792	36%	0.356	S	S	*	.			trans	-155.7	105.6	-178.1	-126.4	176.2	179.6	178.8	-1.5	108.6
209	A	63.3	Low	74.4	Confident	18 Å²	18	71.4 Å²	71.4	15%	0.149	38%	0.375	C	S	.	.			trans	-97.4	106.2	172.5	0	0	0	0	0	108.5	L127 K129	L127-A209 HydrophobicContact CD2-CB 3.56Å; K129-A209 WeakPolarHBondContact O-CB 3.3Å
210	T	68	Low	74.7	Confident	76 Å²	76	73 Å²	73	47%	0.466	38%	0.375	S	S	.	.			trans	-87.4	146.7	167.6	-32.1	0	0	0	0	108.4	E212 M213 A214	T210-E212 HydrophobicContact CG2-CB 4.41Å; T210-E212 HydrophobicContact CG2-CG 4.46Å; T210-E212 PolarHBondContact O-N 3.24Å; T210-E212 VanDerWaalsContact O-N 3.16Å; T210-M213 WeakPolarHBondContact O-CA 3.5Å; T210-M213 WeakPolarHBondContact O-CB 3.44Å; T210-M213 PolarHBondContact O-N 3.24Å; T210-A214 PolarHBondContact O-N 2.67Å
211	L	72.6	Confident	74.9	Confident	138 Å²	138	71 Å²	71	72%	0.723	35%	0.351	S	S	*	.	H	α-helix	trans	-53.2	-36.1	173.9	-171.5	76	0	0	0	111.6	M213 A214 I215	L211-M213 VanDerWaalsContact C-N 3.31Å; L211-M213 PolarHBondContact O-N 3.02Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.43Å; L211-A214 VanDerWaalsContact O-N 3.13Å; L211-I215 HydrophobicContact CG-CD1 4.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.15Å
212	E	79.4	Confident	75.4	Confident	155 Å²	155	73.8 Å²	73.8	72%	0.724	37%	0.367	S	S	*	.	H	α-helix	trans	-58.3	-39.7	174.1	-64.6	174.8	176.6	0	0	112.8	T210 I215 G216	T210-E212 HydrophobicContact CG2-CB 4.41Å; T210-E212 HydrophobicContact CG2-CG 4.46Å; T210-E212 PolarHBondContact O-N 3.24Å; T210-E212 VanDerWaalsContact O-N 3.16Å; E212-I215 PolarHBondContact O-N 3.01Å; E212-G216 PolarHBondContact O-N 3.22Å
213	M	76.3	Confident	76.3	Confident	84 Å²	84	78 Å²	78	41%	0.414	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-37.1	176.4	-169.3	174.7	-179	0	0	110.9	L127 T210 L211 G216 V217	L127-M213 HydrophobicContact CD1-CG 4.22Å; L127-M213 HydrophobicContact CD2-CB 4.3Å; L127-M213 HydrophobicContact CD2-CG 4.02Å; L127-M213 HydrophobicContact CD2-SD 3.99Å; T210-M213 WeakPolarHBondContact O-CA 3.5Å; T210-M213 WeakPolarHBondContact O-CB 3.44Å; T210-M213 PolarHBondContact O-N 3.24Å; L211-M213 VanDerWaalsContact C-N 3.31Å; L211-M213 PolarHBondContact O-N 3.02Å; M213-G216 PolarHBondContact O-N 3.19Å; M213-V217 HydrophobicContact CG-CG2 4.49Å; M213-V217 WeakPolarHBondContact O-CB 3.28Å; M213-V217 VanDerWaalsContact O-CG2 3.28Å; M213-V217 WeakPolarHBondContact O-CG2 3.34Å; M213-V217 PolarHBondContact O-N 3.02Å
214	A	77	Confident	77.4	Confident	10 Å²	10	74 Å²	74	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-44.6	174.7	0	0	0	0	0	112	L127 T210 L211 V217 M218	L127-A214 HydrophobicContact CB-CB 3.91Å; L127-A214 HydrophobicContact CD1-CB 4.44Å; T210-A214 PolarHBondContact O-N 2.67Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.43Å; L211-A214 VanDerWaalsContact O-N 3.13Å; A214-V217 PolarHBondContact O-N 2.8Å; A214-M218 HydrophobicContact CB-CE 4.17Å; A214-M218 WeakPolarHBondContact O-CB 3.37Å; A214-M218 WeakPolarHBondContact O-CE 3.49Å; A214-M218 WeakPolarHBondContact O-CG 3.26Å; A214-M218 PolarHBondContact O-N 3.46Å
215	I	82.9	Confident	78.7	Confident	95 Å²	95	79.4 Å²	79.4	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-48.3	175.9	-64.7	166.7	0	0	0	109.6	L211 E212 V217 M218 T219	L211-I215 HydrophobicContact CG-CD1 4.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.35Å; L211-I215 PolarHBondContact O-N 3.15Å; E212-I215 PolarHBondContact O-N 3.01Å; I215-V217 VanDerWaalsContact C-N 3.31Å; I215-V217 PolarHBondContact O-N 3.25Å; I215-M218 PolarHBondContact O-N 2.9Å; I215-T219 WeakPolarHBondContact O-CG2 3.16Å; I215-T219 PolarHBondContact O-N 3.05Å; I215-T219 PolarHBondContact O-OG1 3.31Å
216	G	85.9	Confident	80.1	Confident	28 Å²	28	81.1 Å²	81.1	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-29	178.9	0	0	0	0	0	114.9	E212 M213 T219 R220	E212-G216 PolarHBondContact O-N 3.22Å; M213-G216 PolarHBondContact O-N 3.19Å; G216-T219 PolarHBondContact O-OG1 3.38Å; G216-R220 VanDerWaalsContact O-CG 3.26Å; G216-R220 WeakPolarHBondContact O-CG 3.42Å; G216-R220 PolarHBondContact O-N 2.97Å
217	V	85.1	Confident	81.3	Confident	8 Å²	8	83 Å²	83	5%	0.048	41%	0.413	C	S	.	.	H	α-helix	trans	-78.1	-38.1	172.9	169.3	0	0	0	0	111.4	L120 L123 L127 M213 A214 I215 R220 I221	L120-V217 HydrophobicContact CD2-CG1 4.25Å; L123-V217 HydrophobicContact CD2-CG1 4.36Å; L123-V217 HydrophobicContact CD2-CG2 4.06Å; L127-V217 HydrophobicContact CD1-CB 3.71Å; L127-V217 HydrophobicContact CD1-CG1 4.12Å; L127-V217 HydrophobicContact CD1-CG2 3.55Å; M213-V217 HydrophobicContact CG-CG2 4.49Å; M213-V217 WeakPolarHBondContact O-CB 3.28Å; M213-V217 VanDerWaalsContact O-CG2 3.28Å; M213-V217 WeakPolarHBondContact O-CG2 3.34Å; M213-V217 PolarHBondContact O-N 3.02Å; A214-V217 PolarHBondContact O-N 2.8Å; I215-V217 VanDerWaalsContact C-N 3.31Å; I215-V217 PolarHBondContact O-N 3.25Å; V217-R220 PolarHBondContact O-N 3.25Å; V217-I221 HydrophobicContact CG1-CD1 3.83Å; V217-I221 HydrophobicContact CG1-CG1 4.34Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.43Å; V217-I221 PolarHBondContact O-N 3.3Å
218	M	85.6	Confident	82.6	Confident	75 Å²	75	80.8 Å²	80.8	37%	0.369	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-42.9	175.5	-78.1	-171.8	-92.6	0	0	112	K124 A214 I215 R220 I221 E222	K124-M218 HydrophobicContact CG-CG 4.41Å; A214-M218 HydrophobicContact CB-CE 4.17Å; A214-M218 WeakPolarHBondContact O-CB 3.37Å; A214-M218 WeakPolarHBondContact O-CE 3.49Å; A214-M218 WeakPolarHBondContact O-CG 3.26Å; A214-M218 PolarHBondContact O-N 3.46Å; I215-M218 PolarHBondContact O-N 2.9Å; M218-R220 VanDerWaalsContact C-N 3.35Å; M218-R220 PolarHBondContact O-N 3.1Å; M218-I221 PolarHBondContact O-N 3.4Å; M218-E222 WeakPolarHBondContact O-CG 3.37Å; M218-E222 PolarHBondContact O-N 3.11Å
219	T	89.5	Confident	83.7	Confident	65 Å²	65	72 Å²	72	40%	0.399	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-43.1	174.5	58.5	0	0	0	0	111.4	I215 G216 I221 E222 D223	I215-T219 WeakPolarHBondContact O-CG2 3.16Å; I215-T219 PolarHBondContact O-N 3.05Å; I215-T219 PolarHBondContact O-OG1 3.31Å; G216-T219 PolarHBondContact O-OG1 3.38Å; T219-I221 VanDerWaalsContact C-N 3.35Å; T219-I221 PolarHBondContact O-N 3.37Å; T219-E222 PolarHBondContact O-N 2.83Å; T219-D223 PolarHBondContact O-N 3.14Å
220	R	89.1	Confident	84.9	Confident	157 Å²	157	77.3 Å²	77.3	59%	0.592	40%	0.401	S	S	*	.	H	α-helix	trans	-63.9	-35.8	175.8	-74	175.1	-173.8	-173.6	2.3	113.7	G216 V217 M218 L224	G216-R220 VanDerWaalsContact O-CG 3.26Å; G216-R220 WeakPolarHBondContact O-CG 3.42Å; G216-R220 PolarHBondContact O-N 2.97Å; V217-R220 PolarHBondContact O-N 3.25Å; M218-R220 VanDerWaalsContact C-N 3.35Å; M218-R220 PolarHBondContact O-N 3.1Å; R220-L224 VanDerWaalsContact O-CB 3.3Å; R220-L224 WeakPolarHBondContact O-CB 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.39Å; R220-L224 PolarHBondContact O-N 3Å
221	I	88.2	Confident	85.8	Confident	13 Å²	13	74.9 Å²	74.9	7%	0.067	39%	0.386	C	S	.	.	H	α-helix	trans	-68.1	-41.4	175.8	-71.9	167.7	0	0	0	110.1	F117 L120 K124 V217 M218 T219 L224 K225	F117-I221 HydrophobicContact CE2-CG2 3.86Å; L120-I221 HydrophobicContact CB-CD1 4.13Å; L120-I221 HydrophobicContact CB-CG1 3.73Å; L120-I221 WeakPolarHBondContact O-CD1 3.3Å; K124-I221 HydrophobicContact CB-CD1 3.65Å; K124-I221 HydrophobicContact CD-CD1 3.92Å; K124-I221 HydrophobicContact CG-CD1 4.2Å; V217-I221 HydrophobicContact CG1-CD1 3.83Å; V217-I221 HydrophobicContact CG1-CG1 4.34Å; V217-I221 VanDerWaalsContact O-CG1 3.29Å; V217-I221 WeakPolarHBondContact O-CG1 3.43Å; V217-I221 PolarHBondContact O-N 3.3Å; M218-I221 PolarHBondContact O-N 3.4Å; T219-I221 VanDerWaalsContact C-N 3.35Å; T219-I221 PolarHBondContact O-N 3.37Å; I221-L224 PolarHBondContact O-N 2.91Å; I221-K225 WeakPolarHBondContact O-CB 3.48Å; I221-K225 PolarHBondContact O-N 3.32Å
222	E	90	Very high	86.3	Confident	131 Å²	131	72.9 Å²	72.9	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-62.5	-47.9	174.4	-73.7	176.1	-178.1	0	0	110.6	M218 T219 L224 K225 T226	M218-E222 WeakPolarHBondContact O-CG 3.37Å; M218-E222 PolarHBondContact O-N 3.11Å; T219-E222 PolarHBondContact O-N 2.83Å; E222-L224 PolarHBondContact O-N 3.48Å; E222-K225 WeakPolarHBondContact O-CB 3.48Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 VanDerWaalsContact O-N 3.17Å; E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.02Å
223	D	91.2	Very high	86.7	Confident	98 Å²	98	70.1 Å²	70.1	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-50.4	174.5	-65.6	-24.2	0	0	0	111.1	T219 K225 T226 V227	T219-D223 PolarHBondContact O-N 3.14Å; D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 3.29Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 VanDerWaalsContact O-N 3.16Å; D223-T226 PolarHBondContact O-OG1 3.42Å; D223-V227 WeakPolarHBondContact O-CG2 3.46Å; D223-V227 PolarHBondContact O-N 3.08Å
224	L	89.3	Confident	87.2	Confident	34 Å²	34	70.6 Å²	70.6	18%	0.178	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-34.6	177.7	-80	168.3	0	0	0	112.9	L113 F117 L120 R220 I221 E222 T226 V227 L228	L113-L224 HydrophobicContact CD2-CD2 3.7Å; F117-L224 HydrophobicContact CD2-CB 4.24Å; L120-L224 HydrophobicContact CD1-CD1 3.17Å; R220-L224 VanDerWaalsContact O-CB 3.3Å; R220-L224 WeakPolarHBondContact O-CB 3.31Å; R220-L224 WeakPolarHBondContact O-CG 3.39Å; R220-L224 PolarHBondContact O-N 3Å; I221-L224 PolarHBondContact O-N 2.91Å; E222-L224 PolarHBondContact O-N 3.48Å; L224-T226 VanDerWaalsContact C-N 3.35Å; L224-V227 PolarHBondContact O-N 2.97Å; L224-L228 WeakPolarHBondContact O-CB 3.3Å; L224-L228 PolarHBondContact O-N 3.38Å
225	K	89.5	Confident	87.6	Confident	141 Å²	141	72.9 Å²	72.9	61%	0.613	37%	0.37	S	S	*	.	H	α-helix	trans	-65.4	-41	174.6	-171.3	177	179.3	-179.6	0	110.6	F117 I221 E222 D223 L228 G229	F117-K225 HydrophobicContact CE2-CB 3.99Å; F117-K225 HydrophobicContact CE2-CG 4.46Å; I221-K225 WeakPolarHBondContact O-CB 3.48Å; I221-K225 PolarHBondContact O-N 3.32Å; E222-K225 WeakPolarHBondContact O-CB 3.48Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 VanDerWaalsContact O-N 3.17Å; D223-K225 VanDerWaalsContact C-N 3.32Å; D223-K225 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 2.92Å; K225-G229 PolarHBondContact O-N 3.41Å
226	T	90.7	Very high	87.8	Confident	81 Å²	81	72.5 Å²	72.5	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-43.5	174.8	65.9	0	0	0	0	111.3	E222 D223 L224 G229 Q230	E222-T226 WeakPolarHBondContact O-CG2 3.49Å; E222-T226 PolarHBondContact O-N 3.02Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 VanDerWaalsContact O-N 3.16Å; D223-T226 PolarHBondContact O-OG1 3.42Å; L224-T226 VanDerWaalsContact C-N 3.35Å; T226-G229 PolarHBondContact O-N 3.35Å; T226-Q230 WeakPolarHBondContact O-CB 3.31Å; T226-Q230 VanDerWaalsContact O-CG 3.28Å; T226-Q230 WeakPolarHBondContact O-CG 3.38Å; T226-Q230 PolarHBondContact O-N 2.88Å
227	V	89.5	Confident	87.9	Confident	58 Å²	58	78.7 Å²	78.7	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.6	174.8	0	0	0	0	111.1	L113 D223 L224 Q230 T231	L113-V227 HydrophobicContact CD1-CG1 4.15Å; L113-V227 HydrophobicContact CD2-CG1 4.43Å; D223-V227 WeakPolarHBondContact O-CG2 3.46Å; D223-V227 PolarHBondContact O-N 3.08Å; L224-V227 PolarHBondContact O-N 2.97Å; V227-Q230 PolarHBondContact O-N 2.95Å; V227-T231 VanDerWaalsContact O-CB 3.3Å; V227-T231 WeakPolarHBondContact O-CB 3.31Å; V227-T231 PolarHBondContact O-N 2.97Å; V227-T231 PolarHBondContact O-OG1 2.94Å
228	L	86.4	Confident	87.9	Confident	22 Å²	22	80 Å²	80	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-44	177.8	-172.4	71	0	0	0	110.6	L113 F117 L224 K225 T231 Q232	L113-L228 HydrophobicContact CB-CD1 4.29Å; F117-L228 HydrophobicContact CG-CD2 4.49Å; L224-L228 WeakPolarHBondContact O-CB 3.3Å; L224-L228 PolarHBondContact O-N 3.38Å; K225-L228 PolarHBondContact O-N 2.92Å; L228-T231 PolarHBondContact O-N 3.25Å; L228-Q232 WeakPolarHBondContact O-CB 3.19Å; L228-Q232 WeakPolarHBondContact O-CG 3.48Å; L228-Q232 PolarHBondContact O-N 2.92Å
229	G	87.6	Confident	88	Confident	25 Å²	25	76.7 Å²	76.7	26%	0.258	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-48.8	173.3	0	0	0	0	0	112	K225 T226 T231 Q232 D233	K225-G229 PolarHBondContact O-N 3.41Å; T226-G229 PolarHBondContact O-N 3.35Å; G229-T231 VanDerWaalsContact C-N 3.3Å; G229-T231 PolarHBondContact O-N 3.32Å; G229-Q232 PolarHBondContact O-N 3.37Å; G229-D233 WeakPolarHBondContact O-CB 3Å; G229-D233 VanDerWaalsContact O-CG 3.24Å; G229-D233 PolarHBondContact O-N 3.19Å
230	Q	88.6	Confident	88	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-38.4	175.4	-72.8	176.5	1.6	0	0	112.8	T226 V227 H234	T226-Q230 WeakPolarHBondContact O-CB 3.31Å; T226-Q230 VanDerWaalsContact O-CG 3.28Å; T226-Q230 WeakPolarHBondContact O-CG 3.38Å; T226-Q230 PolarHBondContact O-N 2.88Å; V227-Q230 PolarHBondContact O-N 2.95Å; Q230-H234 VanDerWaalsContact O-CB 3.22Å; Q230-H234 WeakPolarHBondContact O-CB 3.28Å; Q230-H234 PolarHBondContact O-N 3.27Å
231	T	86.7	Confident	87.9	Confident	26 Å²	26	70.9 Å²	70.9	16%	0.16	36%	0.36	C	S	.	.	H	α-helix	trans	-71	-41	179.2	-52.5	0	0	0	0	110.9	A110 V227 L228 G229 H234 R235	A110-T231 HydrophobicContact CB-CG2 4.36Å; V227-T231 VanDerWaalsContact O-CB 3.3Å; V227-T231 WeakPolarHBondContact O-CB 3.31Å; V227-T231 PolarHBondContact O-N 2.97Å; V227-T231 PolarHBondContact O-OG1 2.94Å; L228-T231 PolarHBondContact O-N 3.25Å; G229-T231 VanDerWaalsContact C-N 3.3Å; G229-T231 PolarHBondContact O-N 3.32Å; T231-H234 PolarHBondContact O-N 3.46Å; T231-R235 VanDerWaalsContact O-CB 3.25Å; T231-R235 WeakPolarHBondContact O-CB 3.42Å; T231-R235 PolarHBondContact O-N 3.31Å
232	Q	84.4	Confident	87.9	Confident	95 Å²	95	70.3 Å²	70.3	44%	0.444	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-44	174.3	-76.4	-178.6	-17.1	0	0	111.4	L228 G229 H234 R235 H236	L228-Q232 WeakPolarHBondContact O-CB 3.19Å; L228-Q232 WeakPolarHBondContact O-CG 3.48Å; L228-Q232 PolarHBondContact O-N 2.92Å; G229-Q232 PolarHBondContact O-N 3.37Å; Q232-H234 VanDerWaalsContact C-N 3.33Å; Q232-H234 PolarHBondContact O-N 3.02Å; Q232-R235 PolarHBondContact O-N 3.45Å; Q232-H236 VanDerWaalsContact O-CB 3.32Å; Q232-H236 WeakPolarHBondContact O-CB 3.3Å; Q232-H236 PolarHBondContact O-N 3.23Å
233	D	87.6	Confident	87.8	Confident	98 Å²	98	64.2 Å²	64.2	52%	0.524	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-39.2	175.5	-72.5	-20.7	0	0	0	111.7	G229 R237	G229-D233 WeakPolarHBondContact O-CB 3Å; G229-D233 VanDerWaalsContact O-CG 3.24Å; G229-D233 PolarHBondContact O-N 3.19Å; D233-R237 WeakPolarHBondContact O-CB 3.5Å; D233-R237 VanDerWaalsContact O-CG 3.26Å; D233-R237 WeakPolarHBondContact O-CG 3.48Å; D233-R237 PolarHBondContact O-N 3.45Å; D233-R237 PolarHBondContact O-NE 3.43Å
234	H	86.4	Confident	87.7	Confident	93 Å²	93	65.5 Å²	65.5	43%	0.431	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-48.1	173	-174.5	66.7	0	0	0	111.1	Q230 T231 Q232 H236 R237 V238	Q230-H234 VanDerWaalsContact O-CB 3.22Å; Q230-H234 WeakPolarHBondContact O-CB 3.28Å; Q230-H234 PolarHBondContact O-N 3.27Å; T231-H234 PolarHBondContact O-N 3.46Å; Q232-H234 VanDerWaalsContact C-N 3.33Å; Q232-H234 PolarHBondContact O-N 3.02Å; H234-H236 PolarHBondContact O-N 3.26Å; H234-R237 PolarHBondContact O-N 3.02Å; H234-V238 VanDerWaalsContact O-CG2 3.3Å; H234-V238 WeakPolarHBondContact O-CG2 3.28Å; H234-V238 PolarHBondContact O-N 2.67Å
235	R	85.1	Confident	87.6	Confident	58 Å²	58	67.1 Å²	67.1	22%	0.219	34%	0.339	C	S	.	.	H	α-helix	trans	-56.6	-49.9	176.3	-171.3	-171.5	78.8	169.1	9.2	111	D75 T231 Q232 R237 V238 L239	D75-R235 IonicContact OD1-NH2 3.23Å; D75-R235 PolarHBondContact OD1-NH2 2.76Å; D75-R235 VanDerWaalsContact OD1-NH2 3.09Å; D75-R235 IonicContact OD2-CZ 3.87Å; D75-R235 IonicContact OD2-NE 3.82Å; D75-R235 IonicContact OD2-NH2 2.74Å; D75-R235 PolarHBondContact OD2-NH2 3.31Å; T231-R235 VanDerWaalsContact O-CB 3.25Å; T231-R235 WeakPolarHBondContact O-CB 3.42Å; T231-R235 PolarHBondContact O-N 3.31Å; Q232-R235 PolarHBondContact O-N 3.45Å; R235-R237 PolarHBondContact O-N 3.37Å; R235-V238 PolarHBondContact O-N 3.19Å; R235-L239 HydrophobicContact CG-CD1 4.01Å; R235-L239 HydrophobicContact CG-CG 4.35Å; R235-L239 WeakPolarHBondContact O-CB 3.24Å; R235-L239 WeakPolarHBondContact O-CG 3.28Å; R235-L239 PolarHBondContact O-N 3.14Å
236	H	86.6	Confident	87.5	Confident	88 Å²	88	60.5 Å²	60.5	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-45.5	178.9	-176.1	72.6	0	0	0	111.4	Q232 H234 V238 L239 V240	Q232-H236 VanDerWaalsContact O-CB 3.32Å; Q232-H236 WeakPolarHBondContact O-CB 3.3Å; Q232-H236 PolarHBondContact O-N 3.23Å; H234-H236 PolarHBondContact O-N 3.26Å; H236-V238 VanDerWaalsContact C-N 3.34Å; H236-V238 PolarHBondContact O-N 3.33Å; H236-L239 PolarHBondContact O-N 3.02Å; H236-V240 WeakPolarHBondContact O-CB 3.21Å; H236-V240 VanDerWaalsContact O-CG2 3.27Å; H236-V240 WeakPolarHBondContact O-CG2 3.4Å; H236-V240 PolarHBondContact O-N 3.16Å
237	R	88.2	Confident	87.3	Confident	157 Å²	157	60.8 Å²	60.8	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-60.3	-41.7	175.1	-76.7	178.8	-69.1	-161.7	0.9	112.6	D233 H234 R235 A241	D233-R237 WeakPolarHBondContact O-CB 3.5Å; D233-R237 VanDerWaalsContact O-CG 3.26Å; D233-R237 WeakPolarHBondContact O-CG 3.48Å; D233-R237 PolarHBondContact O-N 3.45Å; D233-R237 PolarHBondContact O-NE 3.43Å; H234-R237 PolarHBondContact O-N 3.02Å; R235-R237 PolarHBondContact O-N 3.37Å; R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.24Å
238	V	86.5	Confident	87.2	Confident	36 Å²	36	60.4 Å²	60.4	22%	0.218	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-42.8	176.5	172.6	0	0	0	0	110.9	I104 H234 R235 H236 A241 A242	I104-V238 HydrophobicContact CG2-CG1 3.92Å; H234-V238 VanDerWaalsContact O-CG2 3.3Å; H234-V238 WeakPolarHBondContact O-CG2 3.28Å; H234-V238 PolarHBondContact O-N 2.67Å; R235-V238 PolarHBondContact O-N 3.19Å; H236-V238 VanDerWaalsContact C-N 3.34Å; H236-V238 PolarHBondContact O-N 3.33Å; V238-A241 PolarHBondContact O-N 3.48Å; V238-A242 WeakPolarHBondContact O-CB 3.37Å; V238-A242 PolarHBondContact O-N 3Å
239	L	87.3	Confident	87.3	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-40.8	177.4	-71.1	175.6	0	0	0	112	E71 I72 D75 I77 R235 H236 A241 A242 A243	E71-L239 HydrophobicContact CB-CD2 4.25Å; I72-L239 HydrophobicContact CG1-CB 4.49Å; I72-L239 HydrophobicContact CG1-CD2 4.07Å; D75-L239 VanDerWaalsContact OD2-CD1 3.31Å; D75-L239 WeakPolarHBondContact OD2-CD1 3.33Å; I77-L239 HydrophobicContact CD1-CB 3.64Å; R235-L239 HydrophobicContact CG-CD1 4.01Å; R235-L239 HydrophobicContact CG-CG 4.35Å; R235-L239 WeakPolarHBondContact O-CB 3.24Å; R235-L239 WeakPolarHBondContact O-CG 3.28Å; R235-L239 PolarHBondContact O-N 3.14Å; H236-L239 PolarHBondContact O-N 3.02Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A242 PolarHBondContact O-N 3.14Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.34Å; L239-A243 PolarHBondContact O-N 3Å
240	V	89.2	Confident	87.4	Confident	48 Å²	48	60.7 Å²	60.7	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-40.1	174.1	170.8	0	0	0	0	111	I77 H236 K244	I77-V240 HydrophobicContact CD1-CG2 3.95Å; I77-V240 HydrophobicContact CG1-CG2 4.35Å; I77-V240 HydrophobicContact CG2-CG2 4.34Å; H236-V240 WeakPolarHBondContact O-CB 3.21Å; H236-V240 VanDerWaalsContact O-CG2 3.27Å; H236-V240 WeakPolarHBondContact O-CG2 3.4Å; H236-V240 PolarHBondContact O-N 3.16Å; V240-K244 PolarHBondContact O-N 3.37Å
241	A	88	Confident	87.4	Confident	52 Å²	52	55.2 Å²	55.2	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-41.5	174.3	0	0	0	0	0	111.9	R237 V238 L239	R237-A241 WeakPolarHBondContact O-CB 3.42Å; R237-A241 PolarHBondContact O-N 3.24Å; V238-A241 PolarHBondContact O-N 3.48Å; L239-A241 VanDerWaalsContact C-N 3.33Å
242	A	88	Confident	87.6	Confident	2 Å²	2	56 Å²	56	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-39.9	176.3	0	0	0	0	0	112.1	I72 V238 L239 K244 N245 I246 W249	I72-A242 HydrophobicContact CD1-CB 4.46Å; V238-A242 WeakPolarHBondContact O-CB 3.37Å; V238-A242 PolarHBondContact O-N 3Å; L239-A242 PolarHBondContact O-N 3.14Å; A242-K244 PolarHBondContact O-N 3.36Å; A242-N245 CarbonylContact O-C 3.56Å; A242-N245 PolarHBondContact O-N 2.97Å; A242-I246 WeakPolarHBondContact O-CB 3.38Å; A242-I246 PolarHBondContact O-N 3.21Å; A242-W249 HydrophobicContact CB-CH2 4.27Å; A242-W249 HydrophobicContact CB-CZ3 3.97Å
243	A	88.3	Confident	87.9	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-25.9	-179.2	0	0	0	0	0	113.5	I72 I77 L239	I72-A243 HydrophobicContact CD1-CB 4.02Å; I72-A243 HydrophobicContact CG1-CB 4.34Å; I72-A243 HydrophobicContact CG2-CB 3.86Å; I77-A243 HydrophobicContact CG2-CB 3.53Å; L239-A243 VanDerWaalsContact O-CB 3.23Å; L239-A243 WeakPolarHBondContact O-CB 3.34Å; L239-A243 PolarHBondContact O-N 3Å
244	K	87.5	Confident	88.1	Confident	124 Å²	124	47.9 Å²	47.9	54%	0.539	23%	0.225	S	C	.	.	H	α-helix	trans	-70.2	-31.2	172.9	-67.7	178.1	-177.9	-176.2	0	112.9	L80 V240 A242	L80-K244 HydrophobicContact CD1-CG 4.27Å; V240-K244 PolarHBondContact O-N 3.37Å; A242-K244 PolarHBondContact O-N 3.36Å
245	N	87.4	Confident	88.4	Confident	69 Å²	69	43.7 Å²	43.7	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-112.8	-9.5	-170.6	-64.5	-28.3	0	0	0	113.9	A242 R247 I248 W249	A242-N245 CarbonylContact O-C 3.56Å; A242-N245 PolarHBondContact O-N 2.97Å; N245-R247 VanDerWaalsContact C-N 3.29Å; N245-R247 PolarHBondContact O-N 2.87Å; N245-I248 WeakPolarHBondContact O-CB 3.22Å; N245-I248 PolarHBondContact O-N 3.06Å; N245-I248 VanDerWaalsContact O-N 3.08Å; N245-W249 HydrophobicContact CB-CD2 4.1Å; N245-W249 HydrophobicContact CB-CH2 4.23Å; N245-W249 HydrophobicContact CB-CZ2 3.69Å; N245-W249 PolarHBondContact O-N 3.13Å
246	I	88.1	Confident	88.8	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-39.6	-171	-169.5	161.3	0	0	0	113.1	L65 L68 E69 I72 M79 A242 W249 F250	L65-I246 HydrophobicContact CD2-CG1 4.41Å; L68-I246 HydrophobicContact CB-CD1 4.17Å; E69-I246 HydrophobicContact CB-CD1 3.72Å; E69-I246 HydrophobicContact CG-CD1 4.23Å; I72-I246 HydrophobicContact CD1-CB 4.48Å; I72-I246 HydrophobicContact CD1-CD1 3.58Å; I72-I246 HydrophobicContact CD1-CG2 4.49Å; M79-I246 HydrophobicContact CG-CG2 4.28Å; M79-I246 HydrophobicContact SD-CG2 4.33Å; A242-I246 WeakPolarHBondContact O-CB 3.38Å; A242-I246 PolarHBondContact O-N 3.21Å; I246-W249 PolarHBondContact O-N 3.06Å; I246-F250 HydrophobicContact CD1-CE2 4.2Å; I246-F250 HydrophobicContact CG1-CD2 3.87Å; I246-F250 HydrophobicContact CG1-CE2 3.89Å; I246-F250 WeakPolarHBondContact O-CD2 3.35Å; I246-F250 PolarHBondContact O-N 3.16Å
247	R	85.3	Confident	89.1	Confident	87 Å²	87	39.5 Å²	39.5	33%	0.328	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-42.7	177.9	-64.8	-171.8	178.7	-151.9	1.7	111.8	D81 N245 W249 F250 T251	D81-R247 IonicContact OD1-NH1 3.91Å; D81-R247 PolarHBondContact OD1-NH1 2.89Å; D81-R247 IonicContact OD2-NH1 3.49Å; D81-R247 PolarHBondContact OD2-NH1 3.18Å; N245-R247 VanDerWaalsContact C-N 3.29Å; N245-R247 PolarHBondContact O-N 2.87Å; R247-W249 VanDerWaalsContact C-N 3.33Å; R247-W249 PolarHBondContact O-N 2.86Å; R247-F250 PolarHBondContact O-N 2.8Å; R247-T251 PolarHBondContact O-N 2.99Å; R247-T251 PolarHBondContact O-OG1 3.32Å; R247-T251 VanDerWaalsContact O-OG1 3.12Å
248	I	87.8	Confident	89.3	Confident	49 Å²	49	32.5 Å²	32.5	25%	0.251	16%	0.163	S	C	.	.	H	α-helix	trans	-62.4	-43.5	175.8	-60	173.1	0	0	0	109.8	P86 N245 T251 K252	P86-I248 HydrophobicContact CB-CG2 4.4Å; P86-I248 HydrophobicContact CG-CG2 4.05Å; N245-I248 WeakPolarHBondContact O-CB 3.22Å; N245-I248 PolarHBondContact O-N 3.06Å; N245-I248 VanDerWaalsContact O-N 3.08Å; I248-T251 PolarHBondContact O-N 3.48Å; I248-K252 HydrophobicContact CG2-CD 4.43Å; I248-K252 WeakPolarHBondContact O-CB 3.3Å; I248-K252 WeakPolarHBondContact O-CG 3.36Å; I248-K252 PolarHBondContact O-N 3.16Å
249	W	89.7	Confident	89.6	Confident	37 Å²	37	30.8 Å²	30.8	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-42.1	177.2	-63	-21.7	0	0	0	112.4	L65 L97 L101 I104 A242 N245 I246 R247 K252 V253	L65-W249 HydrophobicContact CD1-CB 4.18Å; L65-W249 HydrophobicContact CD2-CB 3.75Å; L65-W249 HydrophobicContact CD2-CE3 3.89Å; L97-W249 HydrophobicContact CD2-CB 4.06Å; L97-W249 HydrophobicContact CD2-CG 4.07Å; L101-W249 HydrophobicContact CD2-CE3 4.25Å; L101-W249 HydrophobicContact CD2-CZ3 4.49Å; I104-W249 HydrophobicContact CD1-CH2 3.98Å; I104-W249 HydrophobicContact CD1-CZ3 4.03Å; A242-W249 HydrophobicContact CB-CH2 4.27Å; A242-W249 HydrophobicContact CB-CZ3 3.97Å; N245-W249 HydrophobicContact CB-CD2 4.1Å; N245-W249 HydrophobicContact CB-CH2 4.23Å; N245-W249 HydrophobicContact CB-CZ2 3.69Å; N245-W249 PolarHBondContact O-N 3.13Å; I246-W249 PolarHBondContact O-N 3.06Å; R247-W249 VanDerWaalsContact C-N 3.33Å; R247-W249 PolarHBondContact O-N 2.86Å; W249-K252 PolarHBondContact O-N 3.43Å; W249-V253 WeakPolarHBondContact O-CB 3.12Å; W249-V253 VanDerWaalsContact O-CG2 3.3Å; W249-V253 WeakPolarHBondContact O-CG2 3.2Å; W249-V253 PolarHBondContact O-N 3.19Å
250	F	89.3	Confident	89.9	Confident	17 Å²	17	31.6 Å²	31.6	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-49.4	173	-93.7	-67.5	0	0	0	111.9	L65 R66 E69 I246 R247 K252 V253 R254	L65-F250 HydrophobicContact CB-CD1 4.17Å; L65-F250 HydrophobicContact CB-CD2 4.27Å; L65-F250 HydrophobicContact CB-CE1 3.71Å; L65-F250 HydrophobicContact CB-CE2 3.83Å; L65-F250 HydrophobicContact CB-CG 4.44Å; L65-F250 HydrophobicContact CB-CZ 3.54Å; L65-F250 HydrophobicContact CD1-CD1 4.16Å; L65-F250 HydrophobicContact CD1-CE1 4.49Å; L65-F250 HydrophobicContact CD1-CG 4.27Å; R66-F250 HydrophobicContact CB-CZ 4.46Å; R66-F250 HydrophobicContact CG-CE1 3.95Å; R66-F250 HydrophobicContact CG-CZ 3.82Å; E69-F250 HydrophobicContact CB-CE2 4.22Å; E69-F250 HydrophobicContact CG-CE2 4.48Å; I246-F250 HydrophobicContact CD1-CE2 4.2Å; I246-F250 HydrophobicContact CG1-CD2 3.87Å; I246-F250 HydrophobicContact CG1-CE2 3.89Å; I246-F250 WeakPolarHBondContact O-CD2 3.35Å; I246-F250 PolarHBondContact O-N 3.16Å; R247-F250 PolarHBondContact O-N 2.8Å; F250-K252 PolarHBondContact O-N 3.05Å; F250-V253 PolarHBondContact O-N 3.31Å; F250-R254 WeakPolarHBondContact O-CB 3.32Å; F250-R254 VanDerWaalsContact O-CG 3.31Å; F250-R254 WeakPolarHBondContact O-CG 3.3Å; F250-R254 PolarHBondContact O-N 3.46Å
251	T	88.7	Confident	90.1	Very high	13 Å²	13	34.2 Å²	34.2	8%	0.08	17%	0.165	C	C	.	.	H	α-helix	trans	-58.6	-47.2	178.3	-60.5	0	0	0	0	111.3	P86 R247 I248 R254 K255 L779	P86-T251 HydrophobicContact CG-CG2 3.84Å; R247-T251 PolarHBondContact O-N 2.99Å; R247-T251 PolarHBondContact O-OG1 3.32Å; R247-T251 VanDerWaalsContact O-OG1 3.12Å; I248-T251 PolarHBondContact O-N 3.48Å; T251-R254 PolarHBondContact O-N 3.28Å; T251-K255 HydrophobicContact CG2-CD 4.44Å; T251-K255 HydrophobicContact CG2-CG 4.48Å; T251-K255 WeakPolarHBondContact O-CG 2.96Å; T251-K255 PolarHBondContact O-N 3.26Å; T251-L779 HydrophobicContact CG2-CD1 3.62Å; T251-L779 HydrophobicContact CG2-CD2 3.84Å; T251-L779 HydrophobicContact CG2-CG 4.4Å
252	K	90.5	Very high	90.3	Very high	43 Å²	43	32 Å²	32	19%	0.187	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-50.2	177.4	-77	-169.5	173.3	-158.5	0	112.2	P86 P89 E93 L97 I248 W249 F250 R254 K255 I256	P86-K252 HydrophobicContact CG-CG 4.29Å; P89-K252 HydrophobicContact CB-CD 4.2Å; P89-K252 HydrophobicContact CB-CG 4.36Å; P89-K252 HydrophobicContact CG-CB 4.04Å; P89-K252 HydrophobicContact CG-CD 4.38Å; P89-K252 HydrophobicContact CG-CG 4.06Å; E93-K252 IonicContact OE2-NZ 3.3Å; E93-K252 PolarHBondContact OE2-NZ 3.47Å; L97-K252 HydrophobicContact CD1-CD 4.13Å; L97-K252 HydrophobicContact CD2-CB 4.49Å; I248-K252 HydrophobicContact CG2-CD 4.43Å; I248-K252 WeakPolarHBondContact O-CB 3.3Å; I248-K252 WeakPolarHBondContact O-CG 3.36Å; I248-K252 PolarHBondContact O-N 3.16Å; W249-K252 PolarHBondContact O-N 3.43Å; F250-K252 PolarHBondContact O-N 3.05Å; K252-R254 VanDerWaalsContact C-N 3.32Å; K252-R254 PolarHBondContact O-N 3.45Å; K252-K255 PolarHBondContact O-N 3.22Å; K252-I256 WeakPolarHBondContact O-CD1 3.26Å; K252-I256 WeakPolarHBondContact O-CG1 3.34Å; K252-I256 PolarHBondContact O-N 3.43Å
253	V	91.4	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-39.3	-179.2	174.1	0	0	0	0	111.3	C58 M61 E62 L65 L97 W249 F250 I256 K257	C58-V253 HydrophobicContact CB-CG1 4.34Å; M61-V253 HydrophobicContact CB-CG1 4.14Å; M61-V253 HydrophobicContact CB-CG2 4.23Å; M61-V253 HydrophobicContact CE-CG1 4.47Å; M61-V253 HydrophobicContact CE-CG2 4.45Å; E62-V253 HydrophobicContact CG-CG1 3.54Å; L65-V253 HydrophobicContact CD1-CB 4.22Å; L65-V253 HydrophobicContact CD1-CG2 3.83Å; L97-V253 HydrophobicContact CD2-CG2 4.16Å; W249-V253 WeakPolarHBondContact O-CB 3.12Å; W249-V253 VanDerWaalsContact O-CG2 3.3Å; W249-V253 WeakPolarHBondContact O-CG2 3.2Å; W249-V253 PolarHBondContact O-N 3.19Å; F250-V253 PolarHBondContact O-N 3.31Å; V253-I256 PolarHBondContact O-N 2.84Å; V253-K257 VanDerWaalsContact O-CB 3.3Å; V253-K257 WeakPolarHBondContact O-CB 3.25Å; V253-K257 PolarHBondContact O-N 3.19Å
254	R	91.4	Very high	90.8	Very high	23 Å²	23	32.6 Å²	32.6	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-45	175.9	-75.3	178.3	-179.7	173.6	4.1	112.5	F250 T251 K252 K257 A258 L779 A782 D786	F250-R254 WeakPolarHBondContact O-CB 3.32Å; F250-R254 VanDerWaalsContact O-CG 3.31Å; F250-R254 WeakPolarHBondContact O-CG 3.3Å; F250-R254 PolarHBondContact O-N 3.46Å; T251-R254 PolarHBondContact O-N 3.28Å; K252-R254 VanDerWaalsContact C-N 3.32Å; K252-R254 PolarHBondContact O-N 3.45Å; R254-K257 PolarHBondContact O-N 3.37Å; R254-A258 VanDerWaalsContact O-CB 3.32Å; R254-A258 WeakPolarHBondContact O-CB 3.46Å; R254-A258 PolarHBondContact O-N 3.22Å; R254-L779 HydrophobicContact CB-CD2 3.97Å; R254-A782 VanDerWaalsContact NH1-CB 3.26Å; R254-D786 IonicContact CZ-OD2 2.79Å; R254-D786 IonicContact NH1-OD2 3.41Å; R254-D786 PolarHBondContact NH1-OD2 3.22Å; R254-D786 VanDerWaalsContact NH2-CG 3.34Å; R254-D786 IonicContact NH2-OD1 3.49Å; R254-D786 PolarHBondContact NH2-OD1 3.15Å; R254-D786 IonicContact NH2-OD2 3.98Å; R254-D786 PolarHBondContact NH2-OD2 3.43Å
255	K	92.3	Very high	91	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.017	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-47.5	174.4	-71.8	-167.7	171.7	-167.9	0	111.1	E31 P86 A88 T251 K252 K257 A258 I259 F775	E31-K255 IonicContact OE1-NZ 2.72Å; E31-K255 PolarHBondContact OE1-NZ 3.11Å; E31-K255 IonicContact OE2-NZ 3.09Å; E31-K255 PolarHBondContact OE2-NZ 3.14Å; P86-K255 WeakPolarHBondContact O-CE 3.47Å; P86-K255 PolarHBondContact O-NZ 2.8Å; A88-K255 HydrophobicContact CB-CD 4.04Å; T251-K255 HydrophobicContact CG2-CD 4.44Å; T251-K255 HydrophobicContact CG2-CG 4.48Å; T251-K255 WeakPolarHBondContact O-CG 2.96Å; T251-K255 PolarHBondContact O-N 3.26Å; K252-K255 PolarHBondContact O-N 3.22Å; K255-K257 PolarHBondContact O-N 3.35Å; K255-A258 WeakPolarHBondContact O-CB 3.42Å; K255-A258 PolarHBondContact O-N 3.05Å; K255-I259 VanDerWaalsContact O-CG1 3.3Å; K255-I259 WeakPolarHBondContact O-CG1 3.37Å; K255-I259 PolarHBondContact O-N 3.26Å; K255-F775 HydrophobicContact CB-CD1 3.97Å; K255-F775 HydrophobicContact CB-CE1 3.89Å; K255-F775 HydrophobicContact CB-CZ 4.36Å; K255-F775 HydrophobicContact CD-CB 4.25Å; K255-F775 HydrophobicContact CD-CD1 4.23Å; K255-F775 HydrophobicContact CD-CD2 3.99Å; K255-F775 HydrophobicContact CD-CE2 4.39Å; K255-F775 HydrophobicContact CD-CG 3.91Å; K255-F775 HydrophobicContact CG-CB 4.15Å; K255-F775 HydrophobicContact CG-CD1 3.64Å; K255-F775 HydrophobicContact CG-CD2 4.32Å; K255-F775 HydrophobicContact CG-CE1 4.07Å; K255-F775 HydrophobicContact CG-CG 3.78Å
256	I	92.8	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-47.1	177.6	-64.3	163	0	0	0	111.3	Y23 P89 M94 K252 V253 A258 I259 Y260	Y23-I256 WeakPolarHBondContact OH-CG1 3.34Å; P89-I256 HydrophobicContact CG-CD1 3.61Å; P89-I256 HydrophobicContact CG-CG1 3.5Å; M94-I256 HydrophobicContact CB-CD1 4.05Å; M94-I256 HydrophobicContact CG-CD1 4.29Å; M94-I256 HydrophobicContact CG-CG2 4.19Å; M94-I256 HydrophobicContact SD-CG2 3.82Å; K252-I256 WeakPolarHBondContact O-CD1 3.26Å; K252-I256 WeakPolarHBondContact O-CG1 3.34Å; K252-I256 PolarHBondContact O-N 3.43Å; V253-I256 PolarHBondContact O-N 2.84Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 3.22Å; I256-I259 PolarHBondContact O-N 2.82Å; I256-Y260 HydrophobicContact CG2-CD2 3.61Å; I256-Y260 HydrophobicContact CG2-CE2 3.36Å; I256-Y260 VanDerWaalsContact O-CD2 3.28Å; I256-Y260 WeakPolarHBondContact O-CD2 3.43Å; I256-Y260 PolarHBondContact O-N 2.59Å
257	K	92.8	Very high	91.5	Very high	58 Å²	58	28.4 Å²	28.4	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-59.1	-44.9	177.5	-179.5	177	168.2	173.6	0	111.5	C58 D59 E62 V253 R254 K255 I259 Y260 H261	C58-K257 HydrophobicContact CB-CB 3.82Å; C58-K257 HydrophobicContact CB-CD 4.5Å; C58-K257 HydrophobicContact CB-CG 4.2Å; D59-K257 WeakPolarHBondContact OD1-CE 3.47Å; D59-K257 IonicContact OD1-NZ 2.72Å; D59-K257 PolarHBondContact OD1-NZ 3.07Å; E62-K257 WeakPolarHBondContact OE1-CD 3.33Å; E62-K257 IonicContact OE1-NZ 3.3Å; E62-K257 PolarHBondContact OE1-NZ 3.31Å; E62-K257 IonicContact OE2-NZ 3.15Å; E62-K257 PolarHBondContact OE2-NZ 3.08Å; V253-K257 VanDerWaalsContact O-CB 3.3Å; V253-K257 WeakPolarHBondContact O-CB 3.25Å; V253-K257 PolarHBondContact O-N 3.19Å; R254-K257 PolarHBondContact O-N 3.37Å; K255-K257 PolarHBondContact O-N 3.35Å; K257-I259 PolarHBondContact O-N 3.05Å; K257-Y260 PolarHBondContact O-N 3.39Å; K257-H261 VanDerWaalsContact O-CB 3.3Å; K257-H261 WeakPolarHBondContact O-CB 3.17Å; K257-H261 PolarHBondContact O-N 3.46Å
258	A	92.9	Very high	91.5	Very high	11 Å²	11	26.9 Å²	26.9	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.7	0	0	0	0	0	111.6	R254 K255 I256 H261 T262 F773 F775 I778	R254-A258 VanDerWaalsContact O-CB 3.32Å; R254-A258 WeakPolarHBondContact O-CB 3.46Å; R254-A258 PolarHBondContact O-N 3.22Å; K255-A258 WeakPolarHBondContact O-CB 3.42Å; K255-A258 PolarHBondContact O-N 3.05Å; I256-A258 VanDerWaalsContact C-N 3.33Å; I256-A258 PolarHBondContact O-N 3.22Å; A258-H261 PolarHBondContact O-N 2.68Å; A258-T262 WeakPolarHBondContact O-CB 3.21Å; A258-T262 PolarHBondContact O-N 2.65Å; A258-T262 PolarHBondContact O-OG1 3.42Å; A258-F773 HydrophobicContact CB-CE2 3.96Å; A258-F773 HydrophobicContact CB-CZ 4.19Å; A258-F775 HydrophobicContact CB-CD1 4.46Å; A258-F775 HydrophobicContact CB-CE1 4.21Å; A258-I778 HydrophobicContact CB-CD1 3.81Å; A258-I778 HydrophobicContact CB-CG2 4.46Å
259	I	93.7	Very high	91.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-50.2	175.8	-65.5	162.1	0	0	0	110.9	Y23 V26 K255 I256 K257 H261 T262 L263 F775	Y23-I259 HydrophobicContact CD2-CG2 3.59Å; Y23-I259 HydrophobicContact CE1-CD1 4.18Å; Y23-I259 HydrophobicContact CE2-CB 4.23Å; Y23-I259 HydrophobicContact CE2-CD1 4.2Å; Y23-I259 HydrophobicContact CE2-CG2 3.67Å; Y23-I259 HydrophobicContact CG-CG2 4.21Å; V26-I259 HydrophobicContact CB-CG2 4.18Å; V26-I259 HydrophobicContact CG1-CB 4.35Å; V26-I259 HydrophobicContact CG1-CG1 4.32Å; V26-I259 HydrophobicContact CG1-CG2 3.92Å; K255-I259 VanDerWaalsContact O-CG1 3.3Å; K255-I259 WeakPolarHBondContact O-CG1 3.37Å; K255-I259 PolarHBondContact O-N 3.26Å; I256-I259 PolarHBondContact O-N 2.82Å; K257-I259 PolarHBondContact O-N 3.05Å; I259-H261 PolarHBondContact O-N 3.39Å; I259-T262 PolarHBondContact O-N 2.95Å; I259-L263 HydrophobicContact CG2-CD1 3.98Å; I259-L263 HydrophobicContact CG2-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CG 3.26Å; I259-L263 PolarHBondContact O-N 2.99Å; I259-F775 HydrophobicContact CD1-CE1 4.4Å; I259-F775 HydrophobicContact CD1-CZ 3.88Å; I259-F775 HydrophobicContact CG1-CE1 3.98Å; I259-F775 HydrophobicContact CG1-CZ 3.72Å
260	Y	93.6	Very high	90.9	Very high	21 Å²	21	30.2 Å²	30.2	8%	0.082	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-34.2	179.9	-73.2	-59.1	0	0	0	113.4	Y23 F51 E54 M94 I256 K257 T262 L263 N264	Y23-Y260 HydrophobicContact CD2-CE1 4.1Å; Y23-Y260 HydrophobicContact CE2-CE1 4.26Å; Y23-Y260 HydrophobicContact CE2-CE2 4.08Å; Y23-Y260 AromaticContact CE2-CZ 3.83Å; F51-Y260 HydrophobicContact CB-CD1 4.25Å; F51-Y260 HydrophobicContact CD1-CD1 4.18Å; F51-Y260 HydrophobicContact CD1-CE1 4.42Å; F51-Y260 HydrophobicContact CG-CD1 4.4Å; E54-Y260 HydrophobicContact CB-CD1 3.8Å; E54-Y260 HydrophobicContact CB-CD2 3.81Å; E54-Y260 HydrophobicContact CB-CE1 3.94Å; E54-Y260 HydrophobicContact CB-CE2 3.93Å; E54-Y260 HydrophobicContact CB-CG 3.74Å; E54-Y260 HydrophobicContact CG-CD1 4.16Å; E54-Y260 HydrophobicContact CG-CE1 3.87Å; E54-Y260 HydrophobicContact CG-CE2 4.38Å; M94-Y260 HydrophobicContact CE-CE2 4.13Å; M94-Y260 HydrophobicContact SD-CE2 3.67Å; I256-Y260 HydrophobicContact CG2-CD2 3.61Å; I256-Y260 HydrophobicContact CG2-CE2 3.36Å; I256-Y260 VanDerWaalsContact O-CD2 3.28Å; I256-Y260 WeakPolarHBondContact O-CD2 3.43Å; I256-Y260 PolarHBondContact O-N 2.59Å; K257-Y260 PolarHBondContact O-N 3.39Å; Y260-T262 VanDerWaalsContact C-N 3.35Å; Y260-L263 HydrophobicContact CD1-CD1 4.03Å; Y260-L263 HydrophobicContact CE1-CD1 4.42Å; Y260-L263 PolarHBondContact O-N 2.89Å; Y260-N264 PolarHBondContact O-N 3.41Å; Y260-N264 VanDerWaalsContact O-N 3.1Å; Y260-N264 PolarHBondContact O-ND2 3.5Å
261	H	92.6	Very high	90.5	Very high	104 Å²	104	35.1 Å²	35.1	48%	0.481	19%	0.186	S	C	.	.	H	α-helix	trans	-63.6	-42.4	172.6	-175.2	-87.1	0	0	0	111.2	K257 A258 I259 N264	K257-H261 VanDerWaalsContact O-CB 3.3Å; K257-H261 WeakPolarHBondContact O-CB 3.17Å; K257-H261 PolarHBondContact O-N 3.46Å; A258-H261 PolarHBondContact O-N 2.68Å; I259-H261 PolarHBondContact O-N 3.39Å; H261-N264 WeakPolarHBondContact O-CB 3.44Å; H261-N264 PolarHBondContact O-N 2.9Å
262	T	93.3	Very high	89.9	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-41.9	175.5	-61.9	0	0	0	0	112.2	V26 F37 A258 I259 Y260 N264 L265 F266 F773	V26-T262 HydrophobicContact CG1-CG2 3.98Å; F37-T262 HydrophobicContact CB-CG2 4.39Å; F37-T262 HydrophobicContact CD1-CG2 4.49Å; F37-T262 HydrophobicContact CD2-CG2 3.25Å; F37-T262 HydrophobicContact CE2-CG2 3.48Å; F37-T262 VanDerWaalsContact CE2-CG2 3.48Å; F37-T262 HydrophobicContact CG-CG2 3.8Å; F37-T262 HydrophobicContact CZ-CG2 4.18Å; A258-T262 WeakPolarHBondContact O-CB 3.21Å; A258-T262 PolarHBondContact O-N 2.65Å; A258-T262 PolarHBondContact O-OG1 3.42Å; I259-T262 PolarHBondContact O-N 2.95Å; Y260-T262 VanDerWaalsContact C-N 3.35Å; T262-N264 PolarHBondContact O-N 3.47Å; T262-L265 VanDerWaalsContact O-CB 3.27Å; T262-L265 WeakPolarHBondContact O-CB 3.42Å; T262-L265 PolarHBondContact O-N 3.46Å; T262-F266 HydrophobicContact CG2-CE1 3.99Å; T262-F266 HydrophobicContact CG2-CZ 3.9Å; T262-F266 WeakPolarHBondContact O-CE1 3.36Å; T262-F773 VanDerWaalsContact OG1-CD2 3.29Å; T262-F773 WeakPolarHBondContact OG1-CD2 3.45Å; T262-F773 WeakPolarHBondContact OG1-CE2 3.03Å
263	L	93	Very high	89.6	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-27.9	174.7	-72.4	171.1	0	0	0	112.9	A22 Y23 V26 F51 I259 Y260 L265 F266 L275	A22-L263 HydrophobicContact CB-CD2 3.96Å; Y23-L263 HydrophobicContact CD2-CD1 4.47Å; V26-L263 HydrophobicContact CG2-CD2 3.88Å; V26-L263 HydrophobicContact CG2-CG 4.45Å; F51-L263 HydrophobicContact CD2-CB 3.75Å; F51-L263 HydrophobicContact CE2-CB 3.8Å; F51-L263 HydrophobicContact CG-CB 4.43Å; I259-L263 HydrophobicContact CG2-CD1 3.98Å; I259-L263 HydrophobicContact CG2-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CG 3.26Å; I259-L263 PolarHBondContact O-N 2.99Å; Y260-L263 HydrophobicContact CD1-CD1 4.03Å; Y260-L263 HydrophobicContact CE1-CD1 4.42Å; Y260-L263 PolarHBondContact O-N 2.89Å; L263-L265 PolarHBondContact O-N 3.37Å; L263-F266 HydrophobicContact CD2-CD2 3.86Å; L263-F266 HydrophobicContact CD2-CE2 3.76Å; L263-F266 PolarHBondContact O-N 3.47Å; L263-L275 HydrophobicContact CD2-CD1 4.11Å
264	N	92.7	Very high	89.4	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.064	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.5	174.4	-84.1	-35.4	0	0	0	113.7	N41 R49 F51 Y260 H261 T262 F266	N41-N264 PolarHBondContact ND2-O 2.92Å; R49-N264 HydrophobicContact CB-CB 4.28Å; R49-N264 WeakPolarHBondContact CB-OD1 3.21Å; F51-N264 WeakPolarHBondContact CA-OD1 3.32Å; F51-N264 VanDerWaalsContact CB-OD1 3.26Å; F51-N264 WeakPolarHBondContact CB-OD1 3.35Å; F51-N264 PolarHBondContact N-OD1 3.46Å; Y260-N264 PolarHBondContact O-N 3.41Å; Y260-N264 VanDerWaalsContact O-N 3.1Å; Y260-N264 PolarHBondContact O-ND2 3.5Å; H261-N264 WeakPolarHBondContact O-CB 3.44Å; H261-N264 PolarHBondContact O-N 2.9Å; T262-N264 PolarHBondContact O-N 3.47Å; N264-F266 VanDerWaalsContact C-N 3.31Å
265	L	92	Very high	89.3	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.131	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.2	174.1	-58.1	172	0	0	0	112.2	F37 D39 L40 T262 L263	F37-L265 HydrophobicContact CB-CD1 4.12Å; D39-L265 HydrophobicContact CB-CD2 3.78Å; L40-L265 WeakPolarHBondContact CB-O 3.37Å; L40-L265 PolarHBondContact N-O 3.34Å; T262-L265 VanDerWaalsContact O-CB 3.27Å; T262-L265 WeakPolarHBondContact O-CB 3.42Å; T262-L265 PolarHBondContact O-N 3.46Å; L263-L265 PolarHBondContact O-N 3.37Å
266	F	93.3	Very high	89.3	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	24%	0.242	C	C	.	.	S	Bend	trans	-84.3	148.2	-174.3	-60.1	-6.8	0	0	0	111.3	L17 V26 F37 N41 T262 L263 N264 L275 I276 A277	L17-F266 HydrophobicContact CD1-CE2 3.94Å; V26-F266 HydrophobicContact CG2-CE2 3.62Å; V26-F266 HydrophobicContact CG2-CZ 3.82Å; F37-F266 HydrophobicContact CB-CE1 4.41Å; F37-F266 HydrophobicContact CD1-CD1 4.48Å; F37-F266 AromaticContact CD1-CE1 3.35Å; F37-F266 HydrophobicContact CD1-CE1 3.35Å; F37-F266 AromaticContact CD1-CZ 3.74Å; F37-F266 HydrophobicContact CD1-CZ 3.74Å; F37-F266 AromaticContact CE1-CE1 3.61Å; F37-F266 HydrophobicContact CE1-CE1 3.61Å; F37-F266 AromaticContact CE1-CZ 3.45Å; F37-F266 HydrophobicContact CE1-CZ 3.45Å; F37-F266 VanDerWaalsContact CE1-CZ 3.45Å; F37-F266 AromaticContact CG-CE1 3.88Å; F37-F266 HydrophobicContact CG-CE1 3.88Å; F37-F266 HydrophobicContact CG-CZ 4.36Å; F37-F266 HydrophobicContact CZ-CE1 4.33Å; F37-F266 AromaticContact CZ-CZ 3.88Å; F37-F266 HydrophobicContact CZ-CZ 3.88Å; N41-F266 PolarHBondContact ND2-O 2.95Å; T262-F266 HydrophobicContact CG2-CE1 3.99Å; T262-F266 HydrophobicContact CG2-CZ 3.9Å; T262-F266 WeakPolarHBondContact O-CE1 3.36Å; L263-F266 HydrophobicContact CD2-CD2 3.86Å; L263-F266 HydrophobicContact CD2-CE2 3.76Å; L263-F266 PolarHBondContact O-N 3.47Å; N264-F266 VanDerWaalsContact C-N 3.31Å; F266-L275 HydrophobicContact CB-CB 4.46Å; F266-L275 HydrophobicContact CB-CD2 4.33Å; F266-L275 HydrophobicContact CD2-CB 4.29Å; F266-I276 WeakPolarHBondContact CA-O 3.38Å; F266-I276 WeakPolarHBondContact CB-O 3.33Å; F266-A277 HydrophobicContact CD1-CB 3.42Å; F266-A277 VanDerWaalsContact CD1-CB 3.42Å; F266-A277 HydrophobicContact CD2-CB 3.9Å; F266-A277 HydrophobicContact CE1-CB 3.4Å; F266-A277 VanDerWaalsContact CE1-CB 3.4Å; F266-A277 HydrophobicContact CE2-CB 3.84Å; F266-A277 HydrophobicContact CG-CB 3.71Å; F266-A277 HydrophobicContact CZ-CB 3.61Å
267	N	91.7	Very high	89.3	Confident	76 Å²	76	46.9 Å²	46.9	41%	0.406	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.8	172.3	-168.6	2	0	0	0	109.5	L40 I276	L40-N267 HydrophobicContact CB-CB 4.12Å; L40-N267 HydrophobicContact CD1-CB 4.04Å; N267-I276 PolarHBondContact N-O 2.9Å; N267-I276 PolarHBondContact O-N 3Å
268	L	87.1	Confident	89.3	Confident	55 Å²	55	45.1 Å²	45.1	29%	0.288	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.6	177	-179.3	77.9	0	0	0	109.6	T19 K50 V270 L275	T19-L268 HydrophobicContact CG2-CD1 4.09Å; K50-L268 HydrophobicContact CD-CD2 4.03Å; L268-V270 HydrophobicContact CD2-CG2 4.2Å; L268-V270 PolarHBondContact O-N 3.39Å; L268-L275 HydrophobicContact CB-CD2 4.14Å; L268-L275 HydrophobicContact CD1-CD2 3.59Å; L268-L275 HydrophobicContact CD1-CG 4.22Å
269	D	85	Confident	89.3	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.214	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.5	166.2	-173.2	-0.5	0	0	0	109.6	T271 K273 C274 I276	D269-T271 VanDerWaalsContact CG-OG1 3.28Å; D269-T271 PolarHBondContact O-N 2.86Å; D269-T271 WeakPolarHBondContact OD1-CB 3.23Å; D269-T271 PolarHBondContact OD1-N 3.46Å; D269-T271 PolarHBondContact OD1-OG1 3.36Å; D269-T271 PolarHBondContact OD2-OG1 3.5Å; D269-K273 PolarHBondContact O-N 3.17Å; D269-K273 VanDerWaalsContact O-N 3.12Å; D269-C274 PolarHBondContact N-O 3.41Å; D269-C274 PolarHBondContact O-N 3.44Å; D269-I276 HydrophobicContact CB-CD1 4.24Å
270	V	78	Confident	89.3	Confident	115 Å²	115	45.3 Å²	45.3	70%	0.697	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.7	179.9	-173.7	0	0	0	0	111.2	L268	L268-V270 HydrophobicContact CD2-CG2 4.2Å; L268-V270 PolarHBondContact O-N 3.39Å
271	T	81.1	Confident	89.2	Confident	120 Å²	120	44.3 Å²	44.3	74%	0.736	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-42.5	-174.5	66.9	0	0	0	0	112.2	D269	D269-T271 VanDerWaalsContact CG-OG1 3.28Å; D269-T271 PolarHBondContact O-N 2.86Å; D269-T271 WeakPolarHBondContact OD1-CB 3.23Å; D269-T271 PolarHBondContact OD1-N 3.46Å; D269-T271 PolarHBondContact OD1-OG1 3.36Å; D269-T271 PolarHBondContact OD2-OG1 3.5Å
272	Q	76.6	Confident	89.2	Confident	125 Å²	125	39.4 Å²	39.4	58%	0.584	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.1	-177.7	-61.7	-169.2	-5.9	0	0	113.8	C274	Q272-C274 HydrophobicContact CB-CB 4.2Å; Q272-C274 PolarHBondContact O-N 3.43Å; Q272-C274 PolarHBondContact O-SG 3.49Å; Q272-C274 VanDerWaalsContact O-SG 3.38Å
273	K	83.9	Confident	89	Confident	155 Å²	155	41.3 Å²	41.3	67%	0.674	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.9	-170.3	-59.1	-178	178.3	178.7	0	112.4	T19 D269	T19-K273 WeakPolarHBondContact CG2-O 3.46Å; T19-K273 PolarHBondContact N-O 3.18Å; T19-K273 PolarHBondContact OG1-O 3.43Å; D269-K273 PolarHBondContact O-N 3.17Å; D269-K273 VanDerWaalsContact O-N 3.12Å
274	C	87.5	Confident	88.8	Confident	20 Å²	20	43.9 Å²	43.9	14%	0.135	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.3	178.6	-68.4	0	0	0	0	109.8	L17 D269 Q272	L17-C274 CarbonylContact O-C 3.5Å; L17-C274 WeakPolarHBondContact O-CA 3.4Å; D269-C274 PolarHBondContact N-O 3.41Å; D269-C274 PolarHBondContact O-N 3.44Å; Q272-C274 HydrophobicContact CB-CB 4.2Å; Q272-C274 PolarHBondContact O-N 3.43Å; Q272-C274 PolarHBondContact O-SG 3.49Å; Q272-C274 VanDerWaalsContact O-SG 3.38Å
275	L	90.4	Very high	88.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.5	167.3	-71.6	166.2	0	0	0	107.8	L17 T19 A22 F51 L263 F266 L268	L17-L275 HydrophobicContact CB-CB 4.46Å; L17-L275 PolarHBondContact N-O 2.99Å; L17-L275 PolarHBondContact O-N 3.16Å; T19-L275 HydrophobicContact CG2-CD1 4.38Å; T19-L275 HydrophobicContact CG2-CG 4.13Å; A22-L275 HydrophobicContact CB-CD1 3.58Å; F51-L275 HydrophobicContact CE2-CD1 4.47Å; F51-L275 HydrophobicContact CZ-CD1 4.35Å; L263-L275 HydrophobicContact CD2-CD1 4.11Å; F266-L275 HydrophobicContact CB-CB 4.46Å; F266-L275 HydrophobicContact CB-CD2 4.33Å; F266-L275 HydrophobicContact CD2-CB 4.29Å; L268-L275 HydrophobicContact CB-CD2 4.14Å; L268-L275 HydrophobicContact CD1-CD2 3.59Å; L268-L275 HydrophobicContact CD1-CG 4.22Å
276	I	91.8	Very high	88.2	Confident	28 Å²	28	43.8 Å²	43.8	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.3	175.3	-56.6	175.5	0	0	0	106.5	Q14 M15 F16 L40 F266 N267 D269	Q14-I276 HydrophobicContact CG-CG2 3.84Å; M15-I276 WeakPolarHBondContact O-CA 3.42Å; F16-I276 HydrophobicContact CD1-CD1 4.49Å; F16-I276 HydrophobicContact CD1-CG1 3.97Å; F16-I276 HydrophobicContact CE1-CD1 3.95Å; F16-I276 HydrophobicContact CE1-CG1 3.88Å; L40-I276 WeakPolarHBondContact CD1-O 3.46Å; F266-I276 WeakPolarHBondContact CA-O 3.38Å; F266-I276 WeakPolarHBondContact CB-O 3.33Å; N267-I276 PolarHBondContact N-O 2.9Å; N267-I276 PolarHBondContact O-N 3Å; D269-I276 HydrophobicContact CB-CD1 4.24Å
277	A	92.4	Very high	87.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.1	174.5	0	0	0	0	0	109.5	Q14 M15 F37 F266	Q14-A277 CarbonylContact C-O 3.56Å; Q14-A277 WeakPolarHBondContact CA-O 3.47Å; M15-A277 HydrophobicContact CB-CB 4.31Å; M15-A277 PolarHBondContact N-O 3.47Å; M15-A277 PolarHBondContact O-N 2.92Å; F37-A277 HydrophobicContact CD1-CB 4.33Å; F37-A277 HydrophobicContact CE1-CB 4.21Å; F266-A277 HydrophobicContact CD1-CB 3.42Å; F266-A277 VanDerWaalsContact CD1-CB 3.42Å; F266-A277 HydrophobicContact CD2-CB 3.9Å; F266-A277 HydrophobicContact CE1-CB 3.4Å; F266-A277 VanDerWaalsContact CE1-CB 3.4Å; F266-A277 HydrophobicContact CE2-CB 3.84Å; F266-A277 HydrophobicContact CG-CB 3.71Å; F266-A277 HydrophobicContact CZ-CB 3.61Å
278	E	92.9	Very high	87.3	Confident	22 Å²	22	51.7 Å²	51.7	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	168	-68.9	-177.2	178.8	0	0	110	R12 C13 R38 L40 M305	R12-E278 IonicContact CZ-OE2 2.59Å; R12-E278 IonicContact NE-OE2 3.07Å; R12-E278 PolarHBondContact NE-OE2 3.19Å; R12-E278 VanDerWaalsContact NH2-CD 3.27Å; R12-E278 IonicContact NH2-OE1 3.21Å; R12-E278 PolarHBondContact NH2-OE1 2.86Å; R12-E278 IonicContact NH2-OE2 3.56Å; R12-E278 PolarHBondContact NH2-OE2 3.23Å; C13-E278 WeakPolarHBondContact O-CA 3.36Å; R38-E278 HydrophobicContact CB-CB 4.49Å; R38-E278 PolarHBondContact N-O 3.1Å; R38-E278 IonicContact NH1-OE2 3.21Å; L40-E278 HydrophobicContact CD1-CB 4.45Å; L40-E278 HydrophobicContact CD1-CG 4.18Å; L40-E278 HydrophobicContact CD2-CB 3.98Å; L40-E278 VanDerWaalsContact CD2-CD 3.43Å; L40-E278 HydrophobicContact CD2-CG 3.74Å; L40-E278 HydrophobicContact CG-CG 4.48Å; E278-M305 HydrophobicContact CG-CE 4.13Å; E278-M305 VanDerWaalsContact OE1-CE 3.26Å; E278-M305 WeakPolarHBondContact OE1-CE 3.46Å
279	C	92.9	Very high	87	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.8	-178	61.8	0	0	0	0	113.1	R12 C13 V35 Q36 F37	R12-C279 WeakPolarHBondContact CA-O 3.36Å; C13-C279 PolarHBondContact N-O 3.47Å; C13-C279 PolarHBondContact O-N 3.01Å; V35-C279 HydrophobicContact CG1-CB 3.18Å; V35-C279 WeakPolarHBondContact CG1-SG 3.45Å; Q36-C279 CarbonylContact O-C 3.59Å; Q36-C279 WeakPolarHBondContact O-CA 3.36Å; Q36-C279 WeakPolarHBondContact O-CB 3.45Å; F37-C279 HydrophobicContact CD1-CB 3.96Å; F37-C279 HydrophobicContact CE1-CB 4.29Å
280	W	94.1	Very high	86.3	Confident	14 Å²	14	52.4 Å²	52.4	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132	167.3	-67.3	109.6	0	0	0	109.3	M10 R12 Q36 T307 P311 P312 F770	M10-W280 HydrophobicContact CB-CE3 4.17Å; R12-W280 HydrophobicContact CB-CE3 3.99Å; R12-W280 HydrophobicContact CB-CH2 3.94Å; R12-W280 HydrophobicContact CB-CZ2 4.42Å; R12-W280 HydrophobicContact CB-CZ3 3.68Å; Q36-W280 HydrophobicContact CB-CB 4.41Å; Q36-W280 PolarHBondContact N-O 2.94Å; Q36-W280 PolarHBondContact O-N 2.9Å; W280-T307 HydrophobicContact CH2-CG2 3.45Å; W280-T307 VanDerWaalsContact CH2-CG2 3.45Å; W280-T307 HydrophobicContact CZ2-CG2 4.13Å; W280-T307 HydrophobicContact CZ3-CG2 4.25Å; W280-P311 HydrophobicContact CD2-CB 4.46Å; W280-P311 HydrophobicContact CE3-CB 3.91Å; W280-P311 HydrophobicContact CE3-CG 4.47Å; W280-P311 HydrophobicContact CH2-CB 3.8Å; W280-P311 HydrophobicContact CH2-CG 3.7Å; W280-P311 HydrophobicContact CZ2-CB 4.39Å; W280-P311 HydrophobicContact CZ3-CB 3.55Å; W280-P311 HydrophobicContact CZ3-CG 3.64Å; W280-P312 HydrophobicContact CB-CG 3.69Å; W280-P312 HydrophobicContact CD2-CG 4.3Å; W280-P312 VanDerWaalsContact CG-CD 3.44Å; W280-P312 HydrophobicContact CG-CG 3.75Å; W280-F770 HydrophobicContact CB-CE2 4.42Å
281	C	91.7	Very high	85.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.5	171.1	61	0	0	0	0	111.2	M10 C11 V35 V283 I289	M10-C281 WeakPolarHBondContact CA-O 3.46Å; C11-C281 PolarHBondContact N-O 3Å; C11-C281 PolarHBondContact O-N 2.97Å; C11-C281 VanDerWaalsContact O-N 3.14Å; V35-C281 HydrophobicContact CG2-CB 4.5Å; C281-V283 PolarHBondContact O-N 2.75Å; C281-I289 HydrophobicContact CB-CD1 3.33Å
282	P	91.9	Very high	84.1	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.5	171.8	-18.4	30.8	0	0	0	110.6	E9 M10 L34 S284 D285 L286 Y314	E9-P282 CarbonylContact O-C 3.59Å; E9-P282 WeakPolarHBondContact O-CA 3.49Å; M10-P282 HydrophobicContact CE-CG 4.02Å; M10-P282 HydrophobicContact SD-CB 4.45Å; M10-P282 HydrophobicContact SD-CG 4.17Å; L34-P282 WeakPolarHBondContact O-CD 3.3Å; P282-S284 PolarHBondContact O-N 3.36Å; P282-S284 VanDerWaalsContact O-N 3.12Å; P282-D285 HydrophobicContact CB-CB 4.39Å; P282-D285 PolarHBondContact O-N 2.78Å; P282-L286 PolarHBondContact O-N 3.04Å; P282-Y314 HydrophobicContact CG-CD1 3.98Å; P282-Y314 HydrophobicContact CG-CE1 4.11Å
283	V	89.7	Confident	83	Confident	45 Å²	45	55.9 Å²	55.9	27%	0.273	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.7	-33	178.5	176.7	0	0	0	0	111.3	E9 C11 C281 D285 L286	E9-V283 HydrophobicContact CB-CB 4.32Å; E9-V283 HydrophobicContact CB-CG2 4.01Å; E9-V283 WeakPolarHBondContact O-CG2 3.47Å; E9-V283 PolarHBondContact O-N 2.94Å; C11-V283 HydrophobicContact CB-CG2 3.9Å; C281-V283 PolarHBondContact O-N 2.75Å; V283-D285 PolarHBondContact O-N 3.11Å; V283-L286 PolarHBondContact O-N 3.44Å
284	S	87.6	Confident	81.6	Confident	60 Å²	60	49.5 Å²	49.5	42%	0.42	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-68.5	-20.3	178	64.6	0	0	0	0	114.8	P282 R316	P282-S284 PolarHBondContact O-N 3.36Å; P282-S284 VanDerWaalsContact O-N 3.12Å; S284-R316 PolarHBondContact OG-NH2 3.46Å
285	D	86.9	Confident	80	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-109.2	7	-175.4	-67.2	-45.8	0	0	0	112	L34 P282 V283 D287 K288 I289 R316	L34-D285 HydrophobicContact CD1-CB 4.23Å; P282-D285 HydrophobicContact CB-CB 4.39Å; P282-D285 PolarHBondContact O-N 2.78Å; V283-D285 PolarHBondContact O-N 3.11Å; D285-D287 VanDerWaalsContact C-N 3.29Å; D285-D287 PolarHBondContact O-N 3.3Å; D285-K288 HydrophobicContact CB-CD 4.4Å; D285-K288 WeakPolarHBondContact O-CB 3.49Å; D285-K288 PolarHBondContact O-N 3.06Å; D285-K288 IonicContact OD1-NZ 2.64Å; D285-K288 PolarHBondContact OD1-NZ 3.28Å; D285-I289 PolarHBondContact O-N 3.38Å; D285-R316 VanDerWaalsContact CG-NH2 3.33Å; D285-R316 IonicContact OD1-NH2 3.24Å; D285-R316 PolarHBondContact OD1-NH2 3.26Å; D285-R316 IonicContact OD2-CZ 3.22Å; D285-R316 IonicContact OD2-NH2 2.64Å; D285-R316 PolarHBondContact OD2-NH2 3.13Å
286	L	85.5	Confident	78.5	Confident	32 Å²	32	55 Å²	55	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-42	-178.9	-169	71.3	0	0	0	112.3	P282 V283 K288 I289 Q290 L302	P282-L286 PolarHBondContact O-N 3.04Å; V283-L286 PolarHBondContact O-N 3.44Å; L286-K288 PolarHBondContact O-N 2.78Å; L286-I289 PolarHBondContact O-N 3.26Å; L286-I289 VanDerWaalsContact O-N 3.11Å; L286-Q290 PolarHBondContact O-N 3.45Å; L286-L302 HydrophobicContact CD1-CD2 3.62Å; L286-L302 HydrophobicContact CG-CD2 4.25Å
287	D	83.5	Confident	77.3	Confident	130 Å²	130	59.5 Å²	59.5	70%	0.695	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-28.4	179.9	-59.1	-21.4	0	0	0	112.3	D285 I289	D285-D287 VanDerWaalsContact C-N 3.29Å; D285-D287 PolarHBondContact O-N 3.3Å; D287-I289 VanDerWaalsContact C-N 3.32Å
288	K	82.8	Confident	76	Confident	118 Å²	118	62.3 Å²	62.3	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-76.2	-23.3	177.7	-61	175.6	-176.3	161.6	0	112.5	L34 D285 L286	L34-K288 HydrophobicContact CD1-CB 4.16Å; L34-K288 HydrophobicContact CD1-CD 4.03Å; D285-K288 HydrophobicContact CB-CD 4.4Å; D285-K288 WeakPolarHBondContact O-CB 3.49Å; D285-K288 PolarHBondContact O-N 3.06Å; D285-K288 IonicContact OD1-NZ 2.64Å; D285-K288 PolarHBondContact OD1-NZ 3.28Å; L286-K288 PolarHBondContact O-N 2.78Å
289	I	80	Confident	74.8	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-85.3	-25.1	-179.1	-63.1	162.1	0	0	0	110.6	L29 V35 C281 D285 L286 D287 L291 L302	L29-I289 HydrophobicContact CD2-CG2 4Å; V35-I289 HydrophobicContact CG2-CD1 3.62Å; V35-I289 HydrophobicContact CG2-CG1 3.88Å; V35-I289 HydrophobicContact CG2-CG2 4.28Å; C281-I289 HydrophobicContact CB-CD1 3.33Å; D285-I289 PolarHBondContact O-N 3.38Å; L286-I289 PolarHBondContact O-N 3.26Å; L286-I289 VanDerWaalsContact O-N 3.11Å; D287-I289 VanDerWaalsContact C-N 3.32Å; I289-L291 PolarHBondContact O-N 3.12Å; I289-L302 HydrophobicContact CG2-CD1 4.48Å; I289-L302 HydrophobicContact CG2-CD2 4.17Å
290	Q	71.9	Confident	73.9	Confident	105 Å²	105	67.7 Å²	67.7	49%	0.491	39%	0.393	S	S	.	.			trans	-70.8	70.7	169.5	-68.2	-172.7	-17.9	0	0	109.9	L286 E292 L302	L286-Q290 PolarHBondContact O-N 3.45Å; Q290-E292 PolarHBondContact O-N 3.31Å; Q290-L302 HydrophobicContact CG-CD2 3.78Å
291	L	61.6	Low	73.1	Confident	51 Å²	51	71.8 Å²	71.8	27%	0.267	42%	0.415	S	S	.	.			trans	-69.7	99.4	174	-79	152.3	0	0	0	108.6	E28 L29 L32 I289 E293	E28-L291 HydrophobicContact CB-CD1 3.89Å; L29-L291 HydrophobicContact CD2-CD1 4.33Å; L32-L291 HydrophobicContact CD1-CD1 3.94Å; L32-L291 HydrophobicContact CD1-CG 4.44Å; I289-L291 PolarHBondContact O-N 3.12Å; L291-E293 PolarHBondContact O-N 3.48Å
292	E	51.3	Low	72.8	Confident	196 Å²	196	73.2 Å²	73.2	92%	0.916	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	175	-70.6	-165.9	146.6	0	0	113	Q290	Q290-E292 PolarHBondContact O-N 3.31Å
293	E	53.2	Low	72.6	Confident	186 Å²	186	77.2 Å²	77.2	87%	0.869	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	37.5	-169.1	-61.9	-167.1	156.1	0	0	114.5	L291 G295	L291-E293 PolarHBondContact O-N 3.48Å; E293-G295 PolarHBondContact O-N 3.5Å
294	S	53.6	Low	72.5	Confident	22 Å²	22	80.8 Å²	80.8	15%	0.154	45%	0.452	C	S	.	.			trans	-72.9	113.4	161	-57.3	0	0	0	0	107.6	C25 S296	C25-S294 PolarHBondContact SG-OG 3.35Å; C25-S294 VanDerWaalsContact SG-OG 3.37Å; S294-S296 PolarHBondContact O-N 3.34Å
295	G	53.8	Low	72.5	Confident	97 Å²	97	80 Å²	80	100%	1	44%	0.442	S	S	*	.	S	Bend	trans	-59.7	21.6	-173.2	0	0	0	0	0	118.2	E293	E293-G295 PolarHBondContact O-N 3.5Å
296	S	60.1	Low	72.4	Confident	39 Å²	39	90 Å²	90	27%	0.273	48%	0.481	S	S	.	.	S	Bend	trans	-93	150.9	167.2	52.7	0	0	0	0	111.6	S294 V298	S294-S296 PolarHBondContact O-N 3.34Å; S296-V298 PolarHBondContact O-N 3.26Å; S296-V298 VanDerWaalsContact O-N 3.12Å; S296-V298 PolarHBondContact OG-O 3.25Å
297	S	65.3	Low	72.4	Confident	123 Å²	123	90.7 Å²	90.7	86%	0.86	49%	0.487	S	S	*	.	S	Bend	trans	-66.4	-10.6	177.2	53.9	0	0	0	0	114.6
298	V	65.4	Low	72.3	Confident	59 Å²	59	92.9 Å²	92.9	36%	0.358	50%	0.499	S	S	.	.	S	Bend	trans	-113.1	123.6	-178.7	-179.5	0	0	0	0	109.3	S296	S296-V298 PolarHBondContact O-N 3.26Å; S296-V298 VanDerWaalsContact O-N 3.12Å; S296-V298 PolarHBondContact OG-O 3.25Å
299	P	67.5	Low	72.5	Confident	103 Å²	103	90.9 Å²	90.9	67%	0.669	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-66.5	140.6	176.5	27.9	-33.6	0	0	0	110	I301	P299-I301 PolarHBondContact O-N 3.16Å
300	S	73.7	Confident	72.7	Confident	33 Å²	33	94.6 Å²	94.6	23%	0.231	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-64.6	123.6	169	54.6	0	0	0	0	109.3	L302	S300-L302 PolarHBondContact O-N 2.98Å
301	I	78.6	Confident	73.7	Confident	101 Å²	101	90.6 Å²	90.6	52%	0.518	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.8	178.5	-57.2	170.9	0	0	0	107.8	M15 F16 P299	M15-I301 WeakPolarHBondContact CA-O 3.29Å; F16-I301 HydrophobicContact CB-CB 4.35Å; F16-I301 HydrophobicContact CD2-CB 4.28Å; F16-I301 HydrophobicContact CD2-CG2 4.4Å; F16-I301 PolarHBondContact N-O 2.94Å; P299-I301 PolarHBondContact O-N 3.16Å
302	L	85.2	Confident	75.1	Confident	30 Å²	30	88.1 Å²	88.1	16%	0.157	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.3	172.3	-175.2	71.2	0	0	0	108.8	C13 M15 L286 I289 Q290 S300	C13-L302 HydrophobicContact CB-CD1 3.58Å; C13-L302 HydrophobicContact CB-CG 4.31Å; M15-L302 HydrophobicContact CG-CD1 3.5Å; M15-L302 VanDerWaalsContact CG-CD1 3.5Å; M15-L302 HydrophobicContact SD-CD1 4.21Å; L286-L302 HydrophobicContact CD1-CD2 3.62Å; L286-L302 HydrophobicContact CG-CD2 4.25Å; I289-L302 HydrophobicContact CG2-CD1 4.48Å; I289-L302 HydrophobicContact CG2-CD2 4.17Å; Q290-L302 HydrophobicContact CG-CD2 3.78Å; S300-L302 PolarHBondContact O-N 2.98Å
303	N	87.3	Confident	77.1	Confident	84 Å²	84	78.9 Å²	78.9	45%	0.449	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.8	176.8	-169.5	18.4	0	0	0	110.7	C13 Q14	C13-N303 CarbonylContact C-O 3.6Å; C13-N303 VanDerWaalsContact CA-O 3.3Å; C13-N303 WeakPolarHBondContact CA-O 3.31Å; Q14-N303 PolarHBondContact N-O 3.27Å; Q14-N303 PolarHBondContact O-N 2.9Å
304	R	88.2	Confident	78.9	Confident	120 Å²	120	73.1 Å²	73.1	45%	0.453	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123	173.6	-174.9	177	179.3	175.9	3.1	109	C11	C11-R304 HydrophobicContact CB-CG 4.3Å
305	M	86.7	Confident	80.7	Confident	42 Å²	42	72.8 Å²	72.8	21%	0.207	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.4	177.1	-59.9	-153.1	-47.4	0	0	111.2	R12 Q14 E278	R12-M305 HydrophobicContact CG-CB 4.49Å; R12-M305 HydrophobicContact CG-CE 4.14Å; R12-M305 PolarHBondContact O-N 2.97Å; Q14-M305 HydrophobicContact CB-CE 4.42Å; Q14-M305 HydrophobicContact CB-CG 3.84Å; Q14-M305 HydrophobicContact CB-SD 3.75Å; Q14-M305 HydrophobicContact CG-SD 4.29Å; E278-M305 HydrophobicContact CG-CE 4.13Å; E278-M305 VanDerWaalsContact OE1-CE 3.26Å; E278-M305 WeakPolarHBondContact OE1-CE 3.46Å
306	Y	85.8	Confident	82.3	Confident	215 Å²	215	71.9 Å²	71.9	84%	0.843	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-86.8	134.3	166.4	-63.3	-79.8	0	0	0	108.7
307	T	85	Confident	83.7	Confident	46 Å²	46	73.4 Å²	73.4	28%	0.282	39%	0.386	S	S	.	.			trans	-143.7	149.5	178.5	-175.4	0	0	0	0	110.1	R12 W280 E309	R12-T307 HydrophobicContact CB-CG2 3.88Å; R12-T307 HydrophobicContact CG-CG2 4.39Å; R12-T307 PolarHBondContact NH1-OG1 3.39Å; W280-T307 HydrophobicContact CH2-CG2 3.45Å; W280-T307 VanDerWaalsContact CH2-CG2 3.45Å; W280-T307 HydrophobicContact CZ2-CG2 4.13Å; W280-T307 HydrophobicContact CZ3-CG2 4.25Å; T307-E309 PolarHBondContact OG1-N 3.3Å
308	D	81.4	Confident	84.8	Confident	177 Å²	177	72.1 Å²	72.1	95%	0.947	37%	0.37	S	S	*	.			trans	-88.4	-8.9	175.2	-62.8	-32.8	0	0	0	112.6
309	E	86.1	Confident	86	Confident	75 Å²	75	76.4 Å²	76.4	35%	0.35	38%	0.383	S	S	.	.	S	Bend	trans	-68.7	143.7	178.9	-67.6	173.3	-168.7	0	0	111.7	R12 R38 T307 P311	R12-E309 IonicContact CZ-OE2 3.13Å; R12-E309 IonicContact NH1-OE1 2.76Å; R12-E309 PolarHBondContact NH1-OE1 3.08Å; R12-E309 IonicContact NH1-OE2 2.92Å; R12-E309 PolarHBondContact NH1-OE2 3.13Å; R12-E309 VanDerWaalsContact NH1-OE2 3.16Å; R38-E309 IonicContact CZ-OE1 3.31Å; R38-E309 IonicContact CZ-OE2 3.66Å; R38-E309 IonicContact NH1-OE1 3.97Å; R38-E309 PolarHBondContact NH1-OE1 3.39Å; R38-E309 IonicContact NH1-OE2 3.39Å; R38-E309 PolarHBondContact NH1-OE2 3.46Å; R38-E309 IonicContact NH2-OE1 3.96Å; R38-E309 PolarHBondContact NH2-OE1 3.35Å; R38-E309 IonicContact NH2-OE2 3.22Å; R38-E309 PolarHBondContact NH2-OE2 3.04Å; T307-E309 PolarHBondContact OG1-N 3.3Å; E309-P311 VanDerWaalsContact O-CD 3.25Å; E309-P311 WeakPolarHBondContact O-CD 3.47Å
310	S	85.9	Confident	87.1	Confident	83 Å²	83	74.8 Å²	74.8	58%	0.58	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-65.7	120.7	175.4	48.3	0	0	0	0	110.3	Y768	S310-Y768 WeakPolarHBondContact O-CE1 3.21Å; S310-Y768 PolarHBondContact O-OH 2.99Å
311	P	91.4	Very high	88	Confident	20 Å²	20	73.5 Å²	73.5	13%	0.13	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-68.3	160.8	175.2	-18.7	32.3	0	0	0	112.3	M10 W280 E309 Y336	M10-P311 HydrophobicContact CB-CB 3.62Å; M10-P311 HydrophobicContact CB-CG 4.43Å; M10-P311 HydrophobicContact CG-CB 4.2Å; W280-P311 HydrophobicContact CD2-CB 4.46Å; W280-P311 HydrophobicContact CE3-CB 3.91Å; W280-P311 HydrophobicContact CE3-CG 4.47Å; W280-P311 HydrophobicContact CH2-CB 3.8Å; W280-P311 HydrophobicContact CH2-CG 3.7Å; W280-P311 HydrophobicContact CZ2-CB 4.39Å; W280-P311 HydrophobicContact CZ3-CB 3.55Å; W280-P311 HydrophobicContact CZ3-CG 3.64Å; E309-P311 VanDerWaalsContact O-CD 3.25Å; E309-P311 WeakPolarHBondContact O-CD 3.47Å; P311-Y336 HydrophobicContact CB-CD1 4.31Å; P311-Y336 HydrophobicContact CB-CD2 3.8Å; P311-Y336 HydrophobicContact CB-CE1 4.3Å; P311-Y336 HydrophobicContact CB-CE2 3.82Å; P311-Y336 HydrophobicContact CB-CG 4.05Å; P311-Y336 HydrophobicContact CG-CD1 3.78Å; P311-Y336 HydrophobicContact CG-CD2 4.17Å; P311-Y336 HydrophobicContact CG-CE1 3.66Å; P311-Y336 HydrophobicContact CG-CE2 4.11Å; P311-Y336 HydrophobicContact CG-CG 4.02Å
312	P	92.8	Very high	88.5	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-65.4	151.1	172.1	24.3	-31.1	0	0	0	111.9	M10 W280 Y768 F770	M10-P312 HydrophobicContact CG-CG 4.37Å; M10-P312 WeakPolarHBondContact CG-O 3.2Å; W280-P312 HydrophobicContact CB-CG 3.69Å; W280-P312 HydrophobicContact CD2-CG 4.3Å; W280-P312 VanDerWaalsContact CG-CD 3.44Å; W280-P312 HydrophobicContact CG-CG 3.75Å; P312-Y768 HydrophobicContact CB-CD2 3.92Å; P312-Y768 HydrophobicContact CB-CE2 3.46Å; P312-Y768 VanDerWaalsContact CB-CE2 3.46Å; P312-Y768 WeakPolarHBondContact CD-OH 3.28Å; P312-Y768 HydrophobicContact CG-CE2 4.19Å; P312-F770 HydrophobicContact CB-CB 3.97Å; P312-F770 HydrophobicContact CB-CD2 4.03Å; P312-F770 HydrophobicContact CG-CD2 3.7Å; P312-F770 HydrophobicContact CG-CE2 4.49Å
313	T	91.9	Very high	88.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.012	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-90.7	123.7	176.8	-65.5	0	0	0	0	110.4	V333 A334 Y768 F770	T313-V333 HydrophobicContact CG2-CG1 4.4Å; T313-A334 WeakPolarHBondContact CB-O 3.43Å; T313-A334 HydrophobicContact CG2-CB 4.09Å; T313-A334 PolarHBondContact OG1-O 3.28Å; T313-Y768 PolarHBondContact N-O 3.22Å; T313-F770 WeakPolarHBondContact O-CB 3.39Å; T313-F770 PolarHBondContact O-N 3.29Å
314	Y	91.6	Very high	89.1	Confident	64 Å²	64	65.4 Å²	65.4	25%	0.251	32%	0.322	S	S	.	.			trans	-127.1	120.7	175.1	-179	-137.4	0	0	0	111.4	S7 E8 M10 P282 R316 F770	S7-Y314 WeakPolarHBondContact CA-O 3.41Å; E8-Y314 HydrophobicContact CB-CD1 4.08Å; E8-Y314 HydrophobicContact CG-CD1 4Å; E8-Y314 HydrophobicContact CG-CE1 4.49Å; E8-Y314 PolarHBondContact N-O 3.09Å; M10-Y314 HydrophobicContact CE-CD1 3.9Å; M10-Y314 HydrophobicContact CE-CG 3.89Å; P282-Y314 HydrophobicContact CG-CD1 3.98Å; P282-Y314 HydrophobicContact CG-CE1 4.11Å; Y314-R316 HydrophobicContact CD1-CG 4.38Å; Y314-R316 HydrophobicContact CE1-CG 3.66Å; Y314-F770 HydrophobicContact CD1-CD1 4.3Å; Y314-F770 HydrophobicContact CD2-CB 4.34Å; Y314-F770 AromaticContact CD2-CD1 3.79Å; Y314-F770 HydrophobicContact CD2-CD1 3.79Å; Y314-F770 HydrophobicContact CD2-CG 4.48Å; Y314-F770 HydrophobicContact CE2-CD1 4.3Å; Y314-F770 HydrophobicContact CG-CB 4.3Å; Y314-F770 AromaticContact CG-CD1 3.8Å; Y314-F770 HydrophobicContact CG-CD1 3.8Å; Y314-F770 HydrophobicContact CG-CG 4.32Å
315	N	90.1	Very high	89.4	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.08	30%	0.301	C	S	.	.			trans	-113.3	115.4	173	-63.2	-33.1	0	0	0	107.9	S7 T317 Q325 N340	S7-N315 VanDerWaalsContact CA-OD1 3.31Å; S7-N315 WeakPolarHBondContact CA-OD1 3.14Å; N315-T317 PolarHBondContact O-N 3.38Å; N315-T317 VanDerWaalsContact O-N 3.12Å; N315-Q325 PolarHBondContact ND2-NE2 3.03Å; N315-Q325 VanDerWaalsContact ND2-NE2 3.14Å; N315-N340 PolarHBondContact ND2-ND2 2.99Å
316	R	88.4	Confident	89.6	Confident	79 Å²	79	63 Å²	63	30%	0.298	32%	0.319	S	S	.	.			trans	-67.3	115.1	176.1	-65.5	-178.7	164.4	155.8	-14.4	109.7	S3 E8 S284 D285 Y314	S3-R316 WeakPolarHBondContact OG-CB 3.41Å; E8-R316 HydrophobicContact CG-CG 4.17Å; E8-R316 VanDerWaalsContact OE1-CD 3.3Å; E8-R316 WeakPolarHBondContact OE1-CD 3.42Å; E8-R316 IonicContact OE1-CZ 2.99Å; E8-R316 IonicContact OE1-NE 3.31Å; E8-R316 PolarHBondContact OE1-NE 3.44Å; E8-R316 IonicContact OE1-NH1 2.82Å; E8-R316 PolarHBondContact OE1-NH1 3.11Å; S284-R316 PolarHBondContact OG-NH2 3.46Å; D285-R316 VanDerWaalsContact CG-NH2 3.33Å; D285-R316 IonicContact OD1-NH2 3.24Å; D285-R316 PolarHBondContact OD1-NH2 3.26Å; D285-R316 IonicContact OD2-CZ 3.22Å; D285-R316 IonicContact OD2-NH2 2.64Å; D285-R316 PolarHBondContact OD2-NH2 3.13Å; Y314-R316 HydrophobicContact CD1-CG 4.38Å; Y314-R316 HydrophobicContact CE1-CG 3.66Å
317	T	88.7	Confident	90	Very high	70 Å²	70	54.3 Å²	54.3	43%	0.429	29%	0.286	S	S	.	.			trans	-99.4	152.7	176.1	61.1	0	0	0	0	110.7	N315 T321 Q325	N315-T317 PolarHBondContact O-N 3.38Å; N315-T317 VanDerWaalsContact O-N 3.12Å; T317-T321 WeakPolarHBondContact CA-OG1 3.37Å; T317-Q325 HydrophobicContact CG2-CB 3.63Å; T317-Q325 HydrophobicContact CG2-CG 3.67Å
318	N	89.4	Confident	90.3	Very high	97 Å²	97	52.1 Å²	52.1	52%	0.519	27%	0.273	S	S	.	.			trans	-117.4	167.1	169	41.8	-0.4	0	0	0	108.2	F320 T321 A322	N318-F320 PolarHBondContact O-N 3.49Å; N318-T321 PolarHBondContact N-OG1 2.84Å; N318-T321 PolarHBondContact O-N 3.46Å; N318-T321 PolarHBondContact O-OG1 3.06Å; N318-T321 WeakPolarHBondContact OD1-CB 3.27Å; N318-T321 WeakPolarHBondContact OD1-CG2 3.46Å; N318-T321 PolarHBondContact OD1-OG1 3.02Å; N318-A322 WeakPolarHBondContact O-CB 3.29Å; N318-A322 PolarHBondContact O-N 3.08Å
319	K	89.6	Confident	90.8	Very high	148 Å²	148	45.4 Å²	45.4	64%	0.643	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	-29.1	-176.7	65.9	179.2	-177.1	175.8	0	114.8	Y398	K319-Y398 HydrophobicContact CB-CE2 4.47Å; K319-Y398 HydrophobicContact CG-CE2 4.4Å; K319-Y398 VanDerWaalsContact O-CD2 3.29Å; K319-Y398 WeakPolarHBondContact O-CD2 3.49Å; K319-Y398 WeakPolarHBondContact O-CE2 3.3Å
320	F	91.5	Very high	91.1	Very high	70 Å²	70	45.2 Å²	45.2	31%	0.307	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-45.4	177.9	-179.7	-100.6	0	0	0	113.3	N318 F324 I346 Y398 L402	N318-F320 PolarHBondContact O-N 3.49Å; F320-F324 HydrophobicContact CZ-CE2 4.35Å; F320-I346 HydrophobicContact CE1-CG2 3.73Å; F320-I346 HydrophobicContact CZ-CG2 4.09Å; F320-Y398 AromaticContact CD2-CD1 3.83Å; F320-Y398 HydrophobicContact CD2-CD1 3.83Å; F320-Y398 HydrophobicContact CD2-CD2 4.34Å; F320-Y398 AromaticContact CD2-CG 3.71Å; F320-Y398 HydrophobicContact CD2-CG 3.71Å; F320-Y398 HydrophobicContact CE2-CD1 4.37Å; F320-Y398 HydrophobicContact CE2-CG 4.33Å; F320-L402 HydrophobicContact CE2-CD1 4.24Å; F320-L402 HydrophobicContact CZ-CD1 3.7Å
321	T	91.5	Very high	91.4	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.9	-175.5	59.7	0	0	0	0	113.3	L4 T317 N318 G323 F324 Q325 I346	L4-T321 HydrophobicContact CD1-CG2 3.97Å; T317-T321 WeakPolarHBondContact CA-OG1 3.37Å; N318-T321 PolarHBondContact N-OG1 2.84Å; N318-T321 PolarHBondContact O-N 3.46Å; N318-T321 PolarHBondContact O-OG1 3.06Å; N318-T321 WeakPolarHBondContact OD1-CB 3.27Å; N318-T321 WeakPolarHBondContact OD1-CG2 3.46Å; N318-T321 PolarHBondContact OD1-OG1 3.02Å; T321-G323 VanDerWaalsContact C-N 3.28Å; T321-G323 PolarHBondContact O-N 3.31Å; T321-F324 PolarHBondContact O-N 2.95Å; T321-Q325 PolarHBondContact O-N 3.37Å; T321-I346 HydrophobicContact CG2-CD1 3.86Å
322	A	90.8	Very high	91.3	Very high	28 Å²	28	46.4 Å²	46.4	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-53.6	-42.9	-178.9	0	0	0	0	0	112.7	N318 F324 Q325 N326	N318-A322 WeakPolarHBondContact O-CB 3.29Å; N318-A322 PolarHBondContact O-N 3.08Å; A322-F324 PolarHBondContact O-N 2.92Å; A322-Q325 PolarHBondContact O-N 3.29Å; A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 2.88Å; A322-N326 PolarHBondContact O-OD1 3.29Å
323	G	91.3	Very high	91.2	Very high	14 Å²	14	47.7 Å²	47.7	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-41.4	177.3	0	0	0	0	0	113.3	T321 I327	T321-G323 VanDerWaalsContact C-N 3.28Å; T321-G323 PolarHBondContact O-N 3.31Å; G323-I327 WeakPolarHBondContact O-CG1 3.5Å; G323-I327 PolarHBondContact O-N 2.92Å
324	F	93.5	Very high	91.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-72.3	-37	177.8	-69.1	-82.8	0	0	0	112.2	F320 T321 A322 I327 V328 I346 P350 I399 L402	F320-F324 HydrophobicContact CZ-CE2 4.35Å; T321-F324 PolarHBondContact O-N 2.95Å; A322-F324 PolarHBondContact O-N 2.92Å; F324-I327 WeakPolarHBondContact O-CB 3.49Å; F324-I327 PolarHBondContact O-N 3.01Å; F324-V328 PolarHBondContact O-N 3.46Å; F324-I346 HydrophobicContact CB-CG1 4.04Å; F324-I346 HydrophobicContact CD1-CG1 4.24Å; F324-I346 HydrophobicContact CD2-CG1 3.82Å; F324-I346 HydrophobicContact CE2-CG1 4.31Å; F324-I346 HydrophobicContact CE2-CG2 4.38Å; F324-I346 HydrophobicContact CG-CG1 3.78Å; F324-P350 HydrophobicContact CE1-CG 4.08Å; F324-P350 HydrophobicContact CZ-CG 4.22Å; F324-I399 HydrophobicContact CD1-CG1 4.04Å; F324-I399 HydrophobicContact CD2-CG1 4.06Å; F324-I399 HydrophobicContact CE1-CB 4.4Å; F324-I399 HydrophobicContact CE1-CG1 3.71Å; F324-I399 HydrophobicContact CE1-CG2 4.26Å; F324-I399 HydrophobicContact CE2-CG1 3.73Å; F324-I399 HydrophobicContact CG-CG1 4.21Å; F324-I399 HydrophobicContact CZ-CB 4.15Å; F324-I399 HydrophobicContact CZ-CG1 3.54Å; F324-I399 HydrophobicContact CZ-CG2 4.4Å; F324-L402 HydrophobicContact CE2-CD1 4.1Å; F324-L402 HydrophobicContact CZ-CD1 3.7Å
325	Q	93.4	Very high	90.9	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-44.7	176.1	-171.9	64.2	41.8	0	0	111	N315 T317 T321 A322 I327 V328 D329 N340	N315-Q325 PolarHBondContact ND2-NE2 3.03Å; N315-Q325 VanDerWaalsContact ND2-NE2 3.14Å; T317-Q325 HydrophobicContact CG2-CB 3.63Å; T317-Q325 HydrophobicContact CG2-CG 3.67Å; T321-Q325 PolarHBondContact O-N 3.37Å; A322-Q325 PolarHBondContact O-N 3.29Å; Q325-I327 PolarHBondContact O-N 2.96Å; Q325-V328 WeakPolarHBondContact O-CA 3.49Å; Q325-V328 WeakPolarHBondContact O-CB 3.44Å; Q325-V328 PolarHBondContact O-N 2.87Å; Q325-D329 WeakPolarHBondContact CG-OD2 3.48Å; Q325-D329 PolarHBondContact NE2-OD1 3.3Å; Q325-D329 PolarHBondContact NE2-OD2 3.42Å; Q325-D329 PolarHBondContact O-N 3.49Å; Q325-N340 PolarHBondContact OE1-ND2 3.29Å; Q325-N340 PolarHBondContact OE1-OD1 3.42Å
326	N	91.9	Very high	90.9	Very high	108 Å²	108	48.3 Å²	48.3	58%	0.578	26%	0.257	S	S	*	.	H	α-helix	trans	-59.7	-34.2	176.8	-69.2	-6.1	0	0	0	112.4	A322 A330	A322-N326 WeakPolarHBondContact O-CB 3.42Å; A322-N326 PolarHBondContact O-N 2.88Å; A322-N326 PolarHBondContact O-OD1 3.29Å; N326-A330 VanDerWaalsContact O-CB 3.31Å; N326-A330 WeakPolarHBondContact O-CB 3.43Å; N326-A330 PolarHBondContact O-N 3.44Å; N326-A330 VanDerWaalsContact O-N 3.08Å
327	I	93	Very high	90.7	Very high	32 Å²	32	47.9 Å²	47.9	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-36.3	175.2	-72.4	178	0	0	0	111.9	G323 F324 Q325 I399 F747 L751 W755	G323-I327 WeakPolarHBondContact O-CG1 3.5Å; G323-I327 PolarHBondContact O-N 2.92Å; F324-I327 WeakPolarHBondContact O-CB 3.49Å; F324-I327 PolarHBondContact O-N 3.01Å; Q325-I327 PolarHBondContact O-N 2.96Å; I327-I399 HydrophobicContact CD1-CD1 3.43Å; I327-I399 VanDerWaalsContact CD1-CD1 3.43Å; I327-I399 HydrophobicContact CG1-CD1 4.44Å; I327-F747 HydrophobicContact CD1-CZ 4.25Å; I327-L751 HydrophobicContact CG2-CD1 3.26Å; I327-W755 WeakPolarHBondContact O-CZ2 3.38Å; I327-W755 PolarHBondContact O-NE1 2.85Å; I327-W755 VanDerWaalsContact O-NE1 3.08Å
328	V	92.5	Very high	90.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-50.6	175.7	166.5	0	0	0	0	110.4	F324 Q325 A330 Y331 P341 A342 T345	F324-V328 PolarHBondContact O-N 3.46Å; Q325-V328 WeakPolarHBondContact O-CA 3.49Å; Q325-V328 WeakPolarHBondContact O-CB 3.44Å; Q325-V328 PolarHBondContact O-N 2.87Å; V328-A330 PolarHBondContact O-N 3.05Å; V328-Y331 PolarHBondContact O-N 2.8Å; V328-P341 HydrophobicContact CB-CG 4.27Å; V328-P341 HydrophobicContact CG1-CG 3.33Å; V328-P341 HydrophobicContact CG2-CG 3.91Å; V328-A342 HydrophobicContact CG2-CB 4.25Å; V328-T345 HydrophobicContact CG2-CG2 4.15Å
329	D	91.8	Very high	90.5	Very high	35 Å²	35	41.3 Å²	41.3	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-24.9	-175.5	-64.6	-15.6	0	0	0	112.1	Q325 Y331 G332	Q325-D329 WeakPolarHBondContact CG-OD2 3.48Å; Q325-D329 PolarHBondContact NE2-OD1 3.3Å; Q325-D329 PolarHBondContact NE2-OD2 3.42Å; Q325-D329 PolarHBondContact O-N 3.49Å; D329-Y331 PolarHBondContact O-N 2.98Å; D329-G332 PolarHBondContact O-N 3.26Å
330	A	91.9	Very high	90.5	Very high	72 Å²	72	34.3 Å²	34.3	60%	0.595	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.7	174.2	0	0	0	0	0	114.1	N326 V328 W755	N326-A330 VanDerWaalsContact O-CB 3.31Å; N326-A330 WeakPolarHBondContact O-CB 3.43Å; N326-A330 PolarHBondContact O-N 3.44Å; N326-A330 VanDerWaalsContact O-N 3.08Å; V328-A330 PolarHBondContact O-N 3.05Å; A330-W755 HydrophobicContact CB-CZ2 4.21Å
331	Y	91.4	Very high	90.5	Very high	111 Å²	111	31 Å²	31	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-41.6	173.5	-176.8	-108.7	0	0	0	111.8	V328 D329 W755 Y763	V328-Y331 PolarHBondContact O-N 2.8Å; D329-Y331 PolarHBondContact O-N 2.98Å; Y331-W755 HydrophobicContact CD2-CB 3.63Å; Y331-W755 AromaticContact CD2-CD2 3.88Å; Y331-W755 HydrophobicContact CD2-CD2 3.88Å; Y331-W755 HydrophobicContact CD2-CE3 4.17Å; Y331-W755 AromaticContact CD2-CG 3.68Å; Y331-W755 HydrophobicContact CD2-CG 3.68Å; Y331-W755 HydrophobicContact CE2-CB 3.85Å; Y331-W755 HydrophobicContact CE2-CG 4.41Å; Y331-W755 HydrophobicContact CG-CB 4.09Å; Y331-W755 HydrophobicContact CG-CD2 4.29Å; Y331-W755 AromaticContact CG-CG 3.91Å; Y331-W755 HydrophobicContact CG-CG 3.91Å; Y331-Y763 HydrophobicContact CD1-CD1 4.45Å; Y331-Y763 HydrophobicContact CD1-CE1 4.4Å
332	G	91	Very high	90.5	Very high	17 Å²	17	30.8 Å²	30.8	18%	0.175	17%	0.17	C	C	.	.			trans	172.5	156.3	179.5	0	0	0	0	0	109.1	D329 Y763	D329-G332 PolarHBondContact O-N 3.26Å; G332-Y763 PolarHBondContact O-OH 3.28Å
333	V	90.4	Very high	90.5	Very high	26 Å²	26	30.2 Å²	30.2	16%	0.158	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-90	135.9	-178.3	179.4	0	0	0	0	109.9	T313 Y763 G765 E766 G767 L769	T313-V333 HydrophobicContact CG2-CG1 4.4Å; V333-Y763 VanDerWaalsContact C-OH 3.3Å; V333-G765 CarbonylContact O-C 3.05Å; V333-G765 WeakPolarHBondContact O-CA 3.05Å; V333-E766 PolarHBondContact O-N 3.42Å; V333-G767 WeakPolarHBondContact O-CA 3.35Å; V333-G767 PolarHBondContact O-N 3.23Å; V333-L769 HydrophobicContact CG1-CB 4.34Å; V333-L769 HydrophobicContact CG2-CB 4.23Å
334	A	88.9	Confident	90.5	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.025	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-61.4	147.4	-175.4	0	0	0	0	0	111.2	T313 E338 Y763	T313-A334 WeakPolarHBondContact CB-O 3.43Å; T313-A334 HydrophobicContact CG2-CB 4.09Å; T313-A334 PolarHBondContact OG1-O 3.28Å; A334-E338 HydrophobicContact CB-CB 4.39Å; A334-Y763 WeakPolarHBondContact CA-OH 3.41Å; A334-Y763 HydrophobicContact CB-CD2 4.43Å; A334-Y763 HydrophobicContact CB-CE2 3.41Å; A334-Y763 VanDerWaalsContact CB-CE2 3.41Å; A334-Y763 PolarHBondContact N-OH 3.09Å
335	N	88.7	Confident	90.5	Very high	52 Å²	52	32.4 Å²	32.4	28%	0.278	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-64.5	155.4	169.8	-72	-19.7	0	0	0	110.6	R337 E338 E766 G767	N335-R337 PolarHBondContact O-N 2.74Å; N335-E338 HydrophobicContact CB-CB 4.11Å; N335-E338 WeakPolarHBondContact CB-OE2 3.23Å; N335-E338 PolarHBondContact N-OE2 2.97Å; N335-E338 WeakPolarHBondContact O-CB 3.46Å; N335-E338 PolarHBondContact O-N 2.88Å; N335-E766 VanDerWaalsContact OD1-C 3.24Å; N335-E766 WeakPolarHBondContact OD1-CA 3.43Å; N335-E766 WeakPolarHBondContact OD1-CB 3.31Å; N335-E766 PolarHBondContact OD1-N 2.98Å; N335-G767 PolarHBondContact OD1-N 3.06Å
336	Y	88.6	Confident	90.6	Very high	40 Å²	40	33.2 Å²	33.2	16%	0.157	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	126	-178.9	179.3	-111.8	0	0	0	111.2	E8 E9 M10 P311 E338	E8-Y336 WeakPolarHBondContact O-CE2 3.37Å; E9-Y336 WeakPolarHBondContact CA-OH 3.49Å; M10-Y336 HydrophobicContact CB-CE2 3.85Å; M10-Y336 HydrophobicContact CG-CE2 3.91Å; M10-Y336 PolarHBondContact N-OH 3.33Å; M10-Y336 PolarHBondContact O-OH 3.35Å; P311-Y336 HydrophobicContact CB-CD1 4.31Å; P311-Y336 HydrophobicContact CB-CD2 3.8Å; P311-Y336 HydrophobicContact CB-CE1 4.3Å; P311-Y336 HydrophobicContact CB-CE2 3.82Å; P311-Y336 HydrophobicContact CB-CG 4.05Å; P311-Y336 HydrophobicContact CG-CD1 3.78Å; P311-Y336 HydrophobicContact CG-CD2 4.17Å; P311-Y336 HydrophobicContact CG-CE1 3.66Å; P311-Y336 HydrophobicContact CG-CE2 4.11Å; P311-Y336 HydrophobicContact CG-CG 4.02Å; Y336-E338 PolarHBondContact O-N 3.23Å
337	R	85.7	Confident	90.7	Very high	69 Å²	69	33.1 Å²	33.1	26%	0.26	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	24.8	-173.9	-55.2	-166	73.7	165.1	15.9	115.2	S7 E9 N335 F501	S7-R337 VanDerWaalsContact OG-CA 3.27Å; S7-R337 WeakPolarHBondContact OG-CA 3.45Å; S7-R337 PolarHBondContact OG-N 3.29Å; E9-R337 IonicContact OE1-CZ 3.38Å; E9-R337 IonicContact OE1-NH1 2.78Å; E9-R337 PolarHBondContact OE1-NH1 3.43Å; E9-R337 IonicContact OE1-NH2 2.69Å; E9-R337 PolarHBondContact OE1-NH2 3Å; N335-R337 PolarHBondContact O-N 2.74Å; R337-F501 VanDerWaalsContact O-CD1 3.25Å; R337-F501 WeakPolarHBondContact O-CD1 3.48Å; R337-F501 WeakPolarHBondContact O-CE1 3.42Å
338	E	85.6	Confident	90.8	Very high	27 Å²	27	33.3 Å²	33.3	13%	0.126	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.1	163.4	169.2	-169.6	166.1	-145.5	0	0	111.8	A334 N335 Y336 N340 Y763 G764	A334-E338 HydrophobicContact CB-CB 4.39Å; N335-E338 HydrophobicContact CB-CB 4.11Å; N335-E338 WeakPolarHBondContact CB-OE2 3.23Å; N335-E338 PolarHBondContact N-OE2 2.97Å; N335-E338 WeakPolarHBondContact O-CB 3.46Å; N335-E338 PolarHBondContact O-N 2.88Å; Y336-E338 PolarHBondContact O-N 3.23Å; E338-N340 PolarHBondContact O-N 2.87Å; E338-Y763 WeakPolarHBondContact OE1-CA 3.31Å; E338-G764 PolarHBondContact OE1-N 2.94Å
339	V	87.6	Confident	90.9	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-60.7	122.2	169.2	-169.7	0	0	0	0	107.9	P341 Y344 F501 F762	V339-P341 WeakPolarHBondContact O-CD 3.09Å; V339-Y344 HydrophobicContact CG1-CE2 3.83Å; V339-F501 HydrophobicContact CB-CD2 4.42Å; V339-F501 HydrophobicContact CB-CE2 3.98Å; V339-F501 HydrophobicContact CB-CZ 3.96Å; V339-F501 HydrophobicContact CG1-CE2 4.49Å; V339-F501 HydrophobicContact CG2-CD1 4.33Å; V339-F501 HydrophobicContact CG2-CD2 3.12Å; V339-F501 HydrophobicContact CG2-CE1 4.09Å; V339-F501 HydrophobicContact CG2-CE2 2.95Å; V339-F501 HydrophobicContact CG2-CG 3.86Å; V339-F501 HydrophobicContact CG2-CZ 3.39Å; V339-F762 HydrophobicContact CB-CD2 4.05Å; V339-F762 HydrophobicContact CB-CE2 4.17Å; V339-F762 HydrophobicContact CG1-CE2 4.28Å; V339-F762 HydrophobicContact CG2-CD2 4.25Å
340	N	89.6	Confident	91.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-73.3	125.3	166.4	-173.7	-3.4	0	0	0	108.9	L4 F5 N315 Q325 E338 A342 P343	L4-N340 VanDerWaalsContact O-CB 3.3Å; L4-N340 WeakPolarHBondContact O-CB 3.43Å; L4-N340 PolarHBondContact O-ND2 2.92Å; F5-N340 PolarHBondContact O-N 3.13Å; N315-N340 PolarHBondContact ND2-ND2 2.99Å; Q325-N340 PolarHBondContact OE1-ND2 3.29Å; Q325-N340 PolarHBondContact OE1-OD1 3.42Å; E338-N340 PolarHBondContact O-N 2.87Å; N340-A342 PolarHBondContact O-N 3.34Å; N340-A342 WeakPolarHBondContact OD1-CB 3.15Å; N340-A342 PolarHBondContact OD1-N 3.31Å; N340-P343 VanDerWaalsContact O-CD 3.23Å; N340-P343 WeakPolarHBondContact O-CD 3.27Å
341	P	91.1	Very high	91.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-73.1	-15.8	174.4	30.6	-36.2	0	0	0	112.7	V328 V339 Y344 T345 Q759 F762 Y763	V328-P341 HydrophobicContact CB-CG 4.27Å; V328-P341 HydrophobicContact CG1-CG 3.33Å; V328-P341 HydrophobicContact CG2-CG 3.91Å; V339-P341 WeakPolarHBondContact O-CD 3.09Å; P341-Y344 PolarHBondContact O-N 3.5Å; P341-Y344 VanDerWaalsContact O-N 3.15Å; P341-T345 WeakPolarHBondContact O-CG2 3.39Å; P341-T345 PolarHBondContact O-N 2.67Å; P341-T345 VanDerWaalsContact O-N 3.08Å; P341-Q759 HydrophobicContact CB-CG 4.23Å; P341-Q759 HydrophobicContact CG-CG 4.38Å; P341-F762 HydrophobicContact CB-CE2 4.06Å; P341-F762 HydrophobicContact CB-CZ 3.87Å; P341-Y763 HydrophobicContact CG-CD2 4.12Å; P341-Y763 HydrophobicContact CG-CE2 4.03Å
342	A	91.4	Very high	91.5	Very high	1 Å²	1	26 Å²	26	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-53.7	-47.9	-174.9	0	0	0	0	0	114.9	V328 N340 Y344 T345 I346	V328-A342 HydrophobicContact CG2-CB 4.25Å; N340-A342 PolarHBondContact O-N 3.34Å; N340-A342 WeakPolarHBondContact OD1-CB 3.15Å; N340-A342 PolarHBondContact OD1-N 3.31Å; A342-Y344 PolarHBondContact O-N 3.04Å; A342-Y344 VanDerWaalsContact O-N 3.15Å; A342-T345 VanDerWaalsContact CA-OG1 3.3Å; A342-T345 WeakPolarHBondContact CA-OG1 3.39Å; A342-T345 PolarHBondContact O-N 2.97Å; A342-T345 VanDerWaalsContact O-N 3.13Å; A342-T345 PolarHBondContact O-OG1 3.32Å; A342-I346 WeakPolarHBondContact O-CG1 3.5Å; A342-I346 PolarHBondContact O-N 2.83Å; A342-I346 VanDerWaalsContact O-N 3.08Å
343	P	91.1	Very high	91.8	Very high	17 Å²	17	25.3 Å²	25.3	11%	0.11	12%	0.123	C	C	.	.	H	α-helix	trans	-50.7	-40.9	177	-22.1	27.2	0	0	0	113.9	L4 F5 N340	L4-P343 HydrophobicContact CD2-CB 4.27Å; L4-P343 HydrophobicContact CD2-CG 4.08Å; L4-P343 HydrophobicContact CG-CG 3.94Å; L4-P343 WeakPolarHBondContact O-CD 3.35Å; L4-P343 WeakPolarHBondContact O-CG 3.21Å; F5-P343 HydrophobicContact CD1-CB 4.48Å; F5-P343 HydrophobicContact CD1-CG 4.24Å; F5-P343 HydrophobicContact CE1-CB 4.37Å; N340-P343 VanDerWaalsContact O-CD 3.23Å; N340-P343 WeakPolarHBondContact O-CD 3.27Å
344	Y	92.1	Very high	92	Very high	55 Å²	55	24 Å²	24	22%	0.216	12%	0.115	C	C	.	.	H	α-helix	trans	-76.8	-43.5	-178.1	-50.1	-62.8	0	0	0	110.4	V339 P341 A342 I346 I347 T348 F493 L497 F758	V339-Y344 HydrophobicContact CG1-CE2 3.83Å; P341-Y344 PolarHBondContact O-N 3.5Å; P341-Y344 VanDerWaalsContact O-N 3.15Å; A342-Y344 PolarHBondContact O-N 3.04Å; A342-Y344 VanDerWaalsContact O-N 3.15Å; Y344-I346 PolarHBondContact O-N 2.81Å; Y344-I347 PolarHBondContact O-N 3.49Å; Y344-I347 VanDerWaalsContact O-N 3.13Å; Y344-T348 WeakPolarHBondContact O-CG2 3.4Å; Y344-T348 PolarHBondContact O-N 3.49Å; Y344-T348 PolarHBondContact O-OG1 3.21Å; Y344-F493 AromaticContact CD1-CE1 3.66Å; Y344-F493 HydrophobicContact CD1-CE1 3.66Å; Y344-F493 AromaticContact CD1-CZ 3.58Å; Y344-F493 HydrophobicContact CD1-CZ 3.58Å; Y344-F493 HydrophobicContact CD2-CE1 4.49Å; Y344-F493 HydrophobicContact CE1-CE1 4.11Å; Y344-F493 AromaticContact CE1-CZ 3.58Å; Y344-F493 HydrophobicContact CE1-CZ 3.58Å; Y344-F493 AromaticContact CG-CE1 3.88Å; Y344-F493 HydrophobicContact CG-CE1 3.88Å; Y344-F493 HydrophobicContact CG-CZ 4.22Å; Y344-L497 HydrophobicContact CD2-CD1 3.78Å; Y344-L497 HydrophobicContact CE1-CD2 4.43Å; Y344-L497 HydrophobicContact CE2-CD1 3.53Å; Y344-L497 HydrophobicContact CE2-CD2 3.89Å; Y344-L497 HydrophobicContact CE2-CG 4.39Å; Y344-L497 HydrophobicContact CG-CD1 4.49Å; Y344-L497 WeakPolarHBondContact OH-CD2 3.45Å; Y344-F758 HydrophobicContact CD2-CZ 4.46Å
345	T	93.1	Very high	92.3	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-32	178.3	64	0	0	0	0	112.8	V328 P341 A342 I347 F349 P350	V328-T345 HydrophobicContact CG2-CG2 4.15Å; P341-T345 WeakPolarHBondContact O-CG2 3.39Å; P341-T345 PolarHBondContact O-N 2.67Å; P341-T345 VanDerWaalsContact O-N 3.08Å; A342-T345 VanDerWaalsContact CA-OG1 3.3Å; A342-T345 WeakPolarHBondContact CA-OG1 3.39Å; A342-T345 PolarHBondContact O-N 2.97Å; A342-T345 VanDerWaalsContact O-N 3.13Å; A342-T345 PolarHBondContact O-OG1 3.32Å; T345-I347 PolarHBondContact O-N 2.89Å; T345-F349 WeakPolarHBondContact O-CB 3.27Å; T345-F349 PolarHBondContact O-N 3.12Å; T345-P350 WeakPolarHBondContact O-CD 3.39Å
346	I	94.5	Very high	92.6	Very high	22 Å²	22	21.7 Å²	21.7	11%	0.113	10%	0.102	C	C	.	.	H	α-helix	trans	-51.6	-37.3	177.5	-69.3	164.2	0	0	0	112.1	F320 T321 F324 A342 Y344 P350 L402	F320-I346 HydrophobicContact CE1-CG2 3.73Å; F320-I346 HydrophobicContact CZ-CG2 4.09Å; T321-I346 HydrophobicContact CG2-CD1 3.86Å; F324-I346 HydrophobicContact CB-CG1 4.04Å; F324-I346 HydrophobicContact CD1-CG1 4.24Å; F324-I346 HydrophobicContact CD2-CG1 3.82Å; F324-I346 HydrophobicContact CE2-CG1 4.31Å; F324-I346 HydrophobicContact CE2-CG2 4.38Å; F324-I346 HydrophobicContact CG-CG1 3.78Å; A342-I346 WeakPolarHBondContact O-CG1 3.5Å; A342-I346 PolarHBondContact O-N 2.83Å; A342-I346 VanDerWaalsContact O-N 3.08Å; Y344-I346 PolarHBondContact O-N 2.81Å; I346-P350 VanDerWaalsContact O-CD 3.3Å; I346-P350 WeakPolarHBondContact O-CD 3.32Å; I346-P350 WeakPolarHBondContact O-CG 3.05Å; I346-L402 HydrophobicContact CG2-CD1 4.18Å; I346-L402 WeakPolarHBondContact O-CD1 3.29Å
347	I	94.5	Very high	92.9	Very high	105 Å²	105	19.9 Å²	19.9	54%	0.538	10%	0.095	S	C	.	.	H	α-helix	trans	-103.8	-46.8	-177.6	-60.3	173.3	0	0	0	111	Y344 T345 F349 F351 F406	Y344-I347 PolarHBondContact O-N 3.49Å; Y344-I347 VanDerWaalsContact O-N 3.13Å; T345-I347 PolarHBondContact O-N 2.89Å; I347-F349 VanDerWaalsContact C-N 3.33Å; I347-F349 PolarHBondContact O-N 3.27Å; I347-F351 VanDerWaalsContact O-CB 3.26Å; I347-F351 WeakPolarHBondContact O-CB 3.43Å; I347-F351 PolarHBondContact O-N 2.84Å; I347-F406 HydrophobicContact CG2-CZ 4.13Å
348	T	94.4	Very high	93	Very high	36 Å²	36	16.7 Å²	16.7	22%	0.221	8%	0.084	C	C	.	.	H	α-helix	trans	-68.2	-33.9	-174	61.6	0	0	0	0	112.2	Y344 F351 L352 H754	Y344-T348 WeakPolarHBondContact O-CG2 3.4Å; Y344-T348 PolarHBondContact O-N 3.49Å; Y344-T348 PolarHBondContact O-OG1 3.21Å; T348-F351 PolarHBondContact O-N 3.33Å; T348-L352 WeakPolarHBondContact O-CB 3.37Å; T348-L352 WeakPolarHBondContact O-CG 3.48Å; T348-L352 PolarHBondContact O-N 3.45Å; T348-H754 PolarHBondContact OG1-NE2 2.93Å
349	F	95.4	Very high	93.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-66.9	-56.1	-179	175.7	-87.9	0	0	0	112.3	T345 I347 F351 L352 F353 I399 M403 F747 A750 L751 H754	T345-F349 WeakPolarHBondContact O-CB 3.27Å; T345-F349 PolarHBondContact O-N 3.12Å; I347-F349 VanDerWaalsContact C-N 3.33Å; I347-F349 PolarHBondContact O-N 3.27Å; F349-F351 PolarHBondContact O-N 2.94Å; F349-L352 PolarHBondContact O-N 2.79Å; F349-F353 WeakPolarHBondContact O-CB 3.18Å; F349-F353 PolarHBondContact O-N 3.41Å; F349-I399 HydrophobicContact CD1-CG2 4.18Å; F349-I399 HydrophobicContact CE1-CG2 3.81Å; F349-M403 HydrophobicContact CE1-SD 4.04Å; F349-F747 AromaticContact CE1-CD2 3.8Å; F349-F747 HydrophobicContact CE1-CD2 3.8Å; F349-F747 AromaticContact CE1-CE2 3.56Å; F349-F747 HydrophobicContact CE1-CE2 3.56Å; F349-F747 HydrophobicContact CE1-CZ 4.47Å; F349-F747 AromaticContact CZ-CD2 3.46Å; F349-F747 HydrophobicContact CZ-CD2 3.46Å; F349-F747 VanDerWaalsContact CZ-CD2 3.46Å; F349-F747 AromaticContact CZ-CE2 3.31Å; F349-F747 HydrophobicContact CZ-CE2 3.31Å; F349-F747 HydrophobicContact CZ-CG 4.19Å; F349-F747 AromaticContact CZ-CZ 3.92Å; F349-F747 HydrophobicContact CZ-CZ 3.92Å; F349-A750 HydrophobicContact CD2-CB 4.3Å; F349-A750 HydrophobicContact CE2-CB 4Å; F349-A750 HydrophobicContact CZ-CB 4.5Å; F349-L751 HydrophobicContact CE2-CB 3.88Å; F349-L751 HydrophobicContact CE2-CD1 4.07Å; F349-H754 WeakPolarHBondContact CA-CE1 3.48Å; F349-H754 AromaticContact CD2-CE1 3.93Å; F349-H754 AromaticContact CD2-ND1 3.73Å; F349-H754 PolarHBondContact N-NE2 3.3Å
350	P	96.2	Very high	93.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-32.4	175.2	-27.8	39.6	0	0	0	113.9	F324 T345 I346 A354 L402 M403 F406	F324-P350 HydrophobicContact CE1-CG 4.08Å; F324-P350 HydrophobicContact CZ-CG 4.22Å; T345-P350 WeakPolarHBondContact O-CD 3.39Å; I346-P350 VanDerWaalsContact O-CD 3.3Å; I346-P350 WeakPolarHBondContact O-CD 3.32Å; I346-P350 WeakPolarHBondContact O-CG 3.05Å; P350-A354 VanDerWaalsContact O-CB 3.31Å; P350-A354 WeakPolarHBondContact O-CB 3.26Å; P350-A354 PolarHBondContact O-N 3.28Å; P350-L402 HydrophobicContact CB-CB 3.83Å; P350-L402 HydrophobicContact CG-CB 3.69Å; P350-L402 HydrophobicContact CG-CD1 4.3Å; P350-M403 HydrophobicContact CB-CG 4.08Å; P350-M403 HydrophobicContact CG-CG 4.48Å; P350-F406 HydrophobicContact CB-CD2 3.52Å; P350-F406 HydrophobicContact CB-CE2 4.05Å; P350-F406 HydrophobicContact CB-CG 4.43Å
351	F	95.8	Very high	93.9	Very high	58 Å²	58	16.7 Å²	16.7	25%	0.254	9%	0.085	S	C	.	.	H	α-helix	trans	-66.9	-46.6	177.6	177.5	-103.7	0	0	0	112.6	I347 T348 F349 F353 A354 V355 F406 L486	I347-F351 VanDerWaalsContact O-CB 3.26Å; I347-F351 WeakPolarHBondContact O-CB 3.43Å; I347-F351 PolarHBondContact O-N 2.84Å; T348-F351 PolarHBondContact O-N 3.33Å; F349-F351 PolarHBondContact O-N 2.94Å; F351-F353 VanDerWaalsContact C-N 3.34Å; F351-A354 WeakPolarHBondContact O-CB 3.38Å; F351-A354 PolarHBondContact O-N 3.24Å; F351-A354 VanDerWaalsContact O-N 3.14Å; F351-V355 HydrophobicContact CE1-CG2 4.25Å; F351-V355 HydrophobicContact CZ-CG2 4.23Å; F351-V355 WeakPolarHBondContact O-CG2 3.5Å; F351-V355 PolarHBondContact O-N 3.48Å; F351-V355 VanDerWaalsContact O-N 3.07Å; F351-F406 HydrophobicContact CB-CD1 4.48Å; F351-F406 HydrophobicContact CD2-CD1 4.21Å; F351-L486 HydrophobicContact CE1-CD1 4.18Å; F351-L486 HydrophobicContact CE1-CD2 3.94Å; F351-L486 HydrophobicContact CZ-CD2 4.36Å
352	L	95.8	Very high	94	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-35.5	178.8	-70.5	169.8	0	0	0	112.2	T348 F349 A354 V355 M356 L689	T348-L352 WeakPolarHBondContact O-CB 3.37Å; T348-L352 WeakPolarHBondContact O-CG 3.48Å; T348-L352 PolarHBondContact O-N 3.45Å; F349-L352 PolarHBondContact O-N 2.79Å; L352-A354 VanDerWaalsContact C-N 3.32Å; L352-V355 PolarHBondContact O-N 3.05Å; L352-M356 PolarHBondContact O-N 3.41Å; L352-L689 HydrophobicContact CB-CD2 4.28Å; L352-L689 HydrophobicContact CD2-CD1 3.96Å; L352-L689 HydrophobicContact CD2-CD2 4.01Å
353	F	96.7	Very high	94.2	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-56.3	-47.8	167.6	170.9	-92.3	0	0	0	111.3	F349 F351 V355 M356 F357 M366 M403 G743 A746 F747 A750	F349-F353 WeakPolarHBondContact O-CB 3.18Å; F349-F353 PolarHBondContact O-N 3.41Å; F351-F353 VanDerWaalsContact C-N 3.34Å; F353-V355 VanDerWaalsContact C-N 3.28Å; F353-V355 PolarHBondContact O-N 3.48Å; F353-M356 WeakPolarHBondContact O-CB 3.48Å; F353-M356 PolarHBondContact O-N 2.94Å; F353-M356 VanDerWaalsContact O-N 3.11Å; F353-F357 HydrophobicContact CD1-CB 4.43Å; F353-F357 HydrophobicContact CE1-CB 3.9Å; F353-F357 HydrophobicContact CE1-CD1 4.19Å; F353-F357 HydrophobicContact CE1-CG 4.24Å; F353-F357 HydrophobicContact CE2-CB 4.29Å; F353-F357 HydrophobicContact CZ-CB 3.83Å; F353-F357 HydrophobicContact CZ-CD1 4.09Å; F353-F357 AromaticContact CZ-CG 3.91Å; F353-F357 HydrophobicContact CZ-CG 3.91Å; F353-F357 WeakPolarHBondContact O-CB 3.09Å; F353-F357 PolarHBondContact O-N 3.48Å; F353-M366 HydrophobicContact CE1-CE 3.66Å; F353-M366 HydrophobicContact CE1-SD 4.34Å; F353-M366 HydrophobicContact CZ-CE 3.94Å; F353-M366 HydrophobicContact CZ-SD 4.1Å; F353-M403 HydrophobicContact CB-CG 4.35Å; F353-M403 HydrophobicContact CB-SD 4.25Å; F353-M403 HydrophobicContact CD1-CB 3.59Å; F353-M403 HydrophobicContact CD1-CG 3.59Å; F353-M403 HydrophobicContact CD1-SD 3.73Å; F353-M403 HydrophobicContact CD2-SD 3.8Å; F353-M403 HydrophobicContact CE1-CB 3.65Å; F353-M403 HydrophobicContact CE1-CG 4.05Å; F353-M403 HydrophobicContact CE1-SD 3.99Å; F353-M403 HydrophobicContact CE2-SD 4.04Å; F353-M403 HydrophobicContact CG-CB 4.43Å; F353-M403 HydrophobicContact CG-CG 3.95Å; F353-M403 HydrophobicContact CG-SD 3.62Å; F353-M403 HydrophobicContact CZ-SD 4.14Å; F353-G743 WeakPolarHBondContact CE2-O 3.17Å; F353-A746 HydrophobicContact CD2-CB 3.97Å; F353-A746 HydrophobicContact CE2-CB 3.79Å; F353-F747 HydrophobicContact CD2-CB 4.26Å; F353-F747 HydrophobicContact CE2-CB 4.22Å; F353-A750 HydrophobicContact CB-CB 4.12Å
354	A	96	Very high	94.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-28.1	-179.6	0	0	0	0	0	114	P350 F351 L352 F357 G358 F406 T410	P350-A354 VanDerWaalsContact O-CB 3.31Å; P350-A354 WeakPolarHBondContact O-CB 3.26Å; P350-A354 PolarHBondContact O-N 3.28Å; F351-A354 WeakPolarHBondContact O-CB 3.38Å; F351-A354 PolarHBondContact O-N 3.24Å; F351-A354 VanDerWaalsContact O-N 3.14Å; L352-A354 VanDerWaalsContact C-N 3.32Å; A354-F357 CarbonylContact O-C 3.34Å; A354-F357 PolarHBondContact O-N 3.37Å; A354-G358 VanDerWaalsContact O-CA 3.3Å; A354-G358 WeakPolarHBondContact O-CA 3.33Å; A354-G358 PolarHBondContact O-N 3.21Å; A354-G358 VanDerWaalsContact O-N 3.16Å; A354-F406 HydrophobicContact CB-CB 3.56Å; A354-F406 WeakPolarHBondContact CB-O 2.9Å; A354-T410 HydrophobicContact CB-CG2 3.69Å; A354-T410 WeakPolarHBondContact O-CB 3.3Å; A354-T410 PolarHBondContact O-OG1 3.35Å
355	V	95	Very high	94.6	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.024	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-38.2	173.9	171	0	0	0	0	111.1	F351 L352 F353 Y414 M482 L486 L689 S693	F351-V355 HydrophobicContact CE1-CG2 4.25Å; F351-V355 HydrophobicContact CZ-CG2 4.23Å; F351-V355 WeakPolarHBondContact O-CG2 3.5Å; F351-V355 PolarHBondContact O-N 3.48Å; F351-V355 VanDerWaalsContact O-N 3.07Å; L352-V355 PolarHBondContact O-N 3.05Å; F353-V355 VanDerWaalsContact C-N 3.28Å; F353-V355 PolarHBondContact O-N 3.48Å; V355-Y414 PolarHBondContact O-OH 2.83Å; V355-M482 HydrophobicContact CG1-CE 4.43Å; V355-M482 HydrophobicContact CG2-CE 4.19Å; V355-L486 HydrophobicContact CG1-CD1 4.26Å; V355-L486 HydrophobicContact CG2-CD1 3.9Å; V355-L689 HydrophobicContact CB-CD2 4.34Å; V355-L689 HydrophobicContact CG1-CB 4.15Å; V355-L689 HydrophobicContact CG1-CD2 4.2Å; V355-S693 VanDerWaalsContact O-CB 3.28Å; V355-S693 WeakPolarHBondContact O-CB 3.48Å; V355-S693 PolarHBondContact O-OG 3.31Å
356	M	95.2	Very high	94.7	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-72.3	-42.5	173.5	-59.8	179.9	-178.7	0	0	111.4	L352 F353 L689 L692 S693 A746 H749 L753	L352-M356 PolarHBondContact O-N 3.41Å; F353-M356 WeakPolarHBondContact O-CB 3.48Å; F353-M356 PolarHBondContact O-N 2.94Å; F353-M356 VanDerWaalsContact O-N 3.11Å; M356-L689 HydrophobicContact CE-CD2 3.41Å; M356-L689 VanDerWaalsContact CE-CD2 3.41Å; M356-L689 HydrophobicContact CE-CG 4.1Å; M356-L689 HydrophobicContact CG-CD2 3.82Å; M356-L689 HydrophobicContact SD-CD2 4.41Å; M356-L692 HydrophobicContact CB-CB 4.15Å; M356-L692 HydrophobicContact CE-CD1 4.21Å; M356-L692 HydrophobicContact CG-CB 4.29Å; M356-L692 HydrophobicContact CG-CD1 4.23Å; M356-L692 HydrophobicContact SD-CD1 3.5Å; M356-L692 VanDerWaalsContact SD-CD1 3.5Å; M356-S693 VanDerWaalsContact O-CA 3.29Å; M356-S693 WeakPolarHBondContact O-CA 3.46Å; M356-A746 HydrophobicContact CB-CB 4.01Å; M356-A746 HydrophobicContact SD-CB 4.33Å; M356-H749 HydrophobicContact CE-CB 3.95Å; M356-H749 HydrophobicContact SD-CB 3.87Å; M356-L753 HydrophobicContact CE-CD1 3.57Å
357	F	93.3	Very high	94.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	11%	0.105	C	C	.	.	S	Bend	trans	-107.7	52.2	-173.1	-158.3	-97.7	0	0	0	112.1	F353 A354 D359 H362 M366 S407 H696 L738 A746	F353-F357 HydrophobicContact CD1-CB 4.43Å; F353-F357 HydrophobicContact CE1-CB 3.9Å; F353-F357 HydrophobicContact CE1-CD1 4.19Å; F353-F357 HydrophobicContact CE1-CG 4.24Å; F353-F357 HydrophobicContact CE2-CB 4.29Å; F353-F357 HydrophobicContact CZ-CB 3.83Å; F353-F357 HydrophobicContact CZ-CD1 4.09Å; F353-F357 AromaticContact CZ-CG 3.91Å; F353-F357 HydrophobicContact CZ-CG 3.91Å; F353-F357 WeakPolarHBondContact O-CB 3.09Å; F353-F357 PolarHBondContact O-N 3.48Å; A354-F357 CarbonylContact O-C 3.34Å; A354-F357 PolarHBondContact O-N 3.37Å; F357-D359 PolarHBondContact O-N 3.27Å; F357-H362 HydrophobicContact CD1-CB 4.48Å; F357-H362 HydrophobicContact CE1-CB 3.41Å; F357-H362 VanDerWaalsContact CE1-CB 3.41Å; F357-H362 HydrophobicContact CZ-CB 3.68Å; F357-M366 HydrophobicContact CD1-CE 3.46Å; F357-M366 VanDerWaalsContact CD1-CE 3.46Å; F357-M366 HydrophobicContact CD1-SD 4.35Å; F357-M366 HydrophobicContact CE1-CE 3.48Å; F357-M366 VanDerWaalsContact CE1-CE 3.48Å; F357-M366 HydrophobicContact CE1-SD 4Å; F357-S407 PolarHBondContact O-OG 3.24Å; F357-H696 AromaticContact CD2-CE1 3.65Å; F357-H696 AromaticContact CD2-ND1 3.82Å; F357-H696 AromaticContact CE2-CE1 3.14Å; F357-H696 WeakPolarHBondContact CE2-CE1 3.3Å; F357-H696 AromaticContact CE2-ND1 3.59Å; F357-H696 AromaticContact CE2-NE2 3.87Å; F357-H696 AromaticContact CZ-CE1 3.58Å; F357-L738 WeakPolarHBondContact CE2-O 3.28Å; F357-L738 WeakPolarHBondContact CZ-O 3.23Å; F357-A746 HydrophobicContact CB-CB 4.47Å
358	G	89.5	Confident	94.8	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	11%	0.105	C	C	.	.			trans	-88.3	73.9	-172.9	0	0	0	0	0	113.8	A354 T410	A354-G358 VanDerWaalsContact O-CA 3.3Å; A354-G358 WeakPolarHBondContact O-CA 3.33Å; A354-G358 PolarHBondContact O-N 3.21Å; A354-G358 VanDerWaalsContact O-N 3.16Å; G358-T410 WeakPolarHBondContact CA-OG1 3.33Å
359	D	93.4	Very high	94.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.113	C	C	.	.			trans	-132	127	171.7	-172.5	-47.6	0	0	0	109.7	F357 G361 H362 G363 S407 F418	F357-D359 PolarHBondContact O-N 3.27Å; D359-G361 VanDerWaalsContact C-N 3.31Å; D359-G361 PolarHBondContact O-N 3.22Å; D359-G361 WeakPolarHBondContact OD1-CA 3.3Å; D359-G361 PolarHBondContact OD1-N 3.44Å; D359-H362 HydrophobicContact CB-CB 4.13Å; D359-H362 PolarHBondContact OD1-N 3.3Å; D359-H362 IonicContact OD2-CE1 3.16Å; D359-H362 IonicContact OD2-ND1 2.77Å; D359-G363 PolarHBondContact O-N 2.9Å; D359-S407 PolarHBondContact O-OG 3.46Å; D359-F418 PolarHBondContact OD1-N 2.95Å; D359-F418 VanDerWaalsContact OD1-N 3.15Å; D359-F418 PolarHBondContact OD2-N 3.4Å; D359-F418 VanDerWaalsContact OD2-N 3.16Å
360	L	93.3	Very high	94.8	Very high	26 Å²	26	22.6 Å²	22.6	14%	0.136	11%	0.113	C	C	.	.	H	α-helix	trans	-60.8	-40.1	-179.1	176.7	54.7	0	0	0	112	I364 M408 I412 E416 L417 F422	L360-I364 HydrophobicContact CD1-CD1 4.19Å; L360-I364 HydrophobicContact CG-CD1 4.32Å; L360-I364 WeakPolarHBondContact O-CD1 3.35Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.28Å; L360-I364 PolarHBondContact O-N 2.93Å; L360-I364 VanDerWaalsContact O-N 3.1Å; L360-M408 HydrophobicContact CD1-CB 4.28Å; L360-M408 HydrophobicContact CD1-CG 3.34Å; L360-I412 HydrophobicContact CD1-CD1 4.29Å; L360-I412 HydrophobicContact CD1-CG1 3.95Å; L360-I412 HydrophobicContact CD2-CG1 4.11Å; L360-E416 WeakPolarHBondContact CB-O 3.35Å; L360-E416 PolarHBondContact N-O 3.1Å; L360-L417 HydrophobicContact CB-CB 4.41Å; L360-L417 HydrophobicContact CB-CD1 4.03Å; L360-L417 HydrophobicContact CD2-CD1 4.26Å; L360-L417 HydrophobicContact CG-CD1 3.98Å; L360-F422 HydrophobicContact CD2-CD1 4.39Å; L360-F422 HydrophobicContact CD2-CE1 3.85Å
361	G	93.3	Very high	94.8	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-72	-47.2	-176.6	0	0	0	0	0	111.9	D359 G363 I364 I365	D359-G361 VanDerWaalsContact C-N 3.31Å; D359-G361 PolarHBondContact O-N 3.22Å; D359-G361 WeakPolarHBondContact OD1-CA 3.3Å; D359-G361 PolarHBondContact OD1-N 3.44Å; G361-G363 VanDerWaalsContact C-N 3.32Å; G361-G363 PolarHBondContact O-N 2.98Å; G361-I364 PolarHBondContact O-N 3.37Å; G361-I365 WeakPolarHBondContact O-CG1 3.17Å; G361-I365 PolarHBondContact O-N 3.4Å
362	H	94.7	Very high	94.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-37	175.5	-56	148.3	0	0	0	111.8	F357 D359 I364 I365 M366 F418 H696 T734 V739	F357-H362 HydrophobicContact CD1-CB 4.48Å; F357-H362 HydrophobicContact CE1-CB 3.41Å; F357-H362 VanDerWaalsContact CE1-CB 3.41Å; F357-H362 HydrophobicContact CZ-CB 3.68Å; D359-H362 HydrophobicContact CB-CB 4.13Å; D359-H362 PolarHBondContact OD1-N 3.3Å; D359-H362 IonicContact OD2-CE1 3.16Å; D359-H362 IonicContact OD2-ND1 2.77Å; H362-I364 VanDerWaalsContact C-N 3.35Å; H362-I364 PolarHBondContact O-N 3.49Å; H362-I365 PolarHBondContact O-N 3.07Å; H362-M366 PolarHBondContact O-N 3.13Å; H362-F418 AromaticContact CD2-CD1 3.88Å; H362-F418 AromaticContact CD2-CE1 3.62Å; H362-F418 AromaticContact NE2-CD1 3.69Å; H362-F418 AromaticContact NE2-CE1 3.88Å; H362-H696 AromaticContact CE1-CE1 3.72Å; H362-H696 AromaticContact CE1-NE2 3.62Å; H362-H696 AromaticContact ND1-CE1 3.22Å; H362-H696 PolarHBondContact ND1-CE1 2.86Å; H362-H696 AromaticContact ND1-NE2 2.97Å; H362-H696 PolarHBondContact ND1-NE2 3.45Å; H362-T734 VanDerWaalsContact NE2-CG2 3.34Å; H362-T734 WeakPolarHBondContact NE2-CG2 3.29Å; H362-V739 HydrophobicContact CB-CG2 4.16Å
363	G	95	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.7	-42.3	173.6	0	0	0	0	0	113	D359 G361 M366 L367 S407	D359-G363 PolarHBondContact O-N 2.9Å; G361-G363 VanDerWaalsContact C-N 3.32Å; G361-G363 PolarHBondContact O-N 2.98Å; G363-M366 PolarHBondContact O-N 3.32Å; G363-L367 VanDerWaalsContact O-CB 3.32Å; G363-L367 WeakPolarHBondContact O-CB 3.44Å; G363-L367 PolarHBondContact O-N 3.21Å; G363-S407 WeakPolarHBondContact CA-OG 3.48Å
364	I	96.1	Very high	94.5	Very high	72 Å²	72	28.8 Å²	28.8	37%	0.369	14%	0.144	S	C	.	.	H	α-helix	trans	-62.5	-43.7	175.2	-70.2	163.6	0	0	0	111.3	L360 G361 H362 M366 L367 L368	L360-I364 HydrophobicContact CD1-CD1 4.19Å; L360-I364 HydrophobicContact CG-CD1 4.32Å; L360-I364 WeakPolarHBondContact O-CD1 3.35Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.28Å; L360-I364 PolarHBondContact O-N 2.93Å; L360-I364 VanDerWaalsContact O-N 3.1Å; G361-I364 PolarHBondContact O-N 3.37Å; H362-I364 VanDerWaalsContact C-N 3.35Å; H362-I364 PolarHBondContact O-N 3.49Å; I364-M366 PolarHBondContact O-N 3.16Å; I364-L367 PolarHBondContact O-N 3.17Å; I364-L368 HydrophobicContact CG2-CD1 4.07Å; I364-L368 HydrophobicContact CG2-CG 4.32Å; I364-L368 WeakPolarHBondContact O-CG 3.46Å; I364-L368 PolarHBondContact O-N 2.9Å
365	I	95.6	Very high	94.4	Very high	55 Å²	55	35.8 Å²	35.8	28%	0.282	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-46.4	178.7	-65.2	169	0	0	0	110.6	G361 H362 L367 L368 F369 F418 L735 V739	G361-I365 WeakPolarHBondContact O-CG1 3.17Å; G361-I365 PolarHBondContact O-N 3.4Å; H362-I365 PolarHBondContact O-N 3.07Å; I365-L367 VanDerWaalsContact C-N 3.35Å; I365-L367 PolarHBondContact O-N 3.32Å; I365-L368 PolarHBondContact O-N 2.93Å; I365-F369 PolarHBondContact O-N 2.86Å; I365-F418 HydrophobicContact CD1-CE1 4.16Å; I365-F418 HydrophobicContact CD1-CZ 4.11Å; I365-L735 HydrophobicContact CG2-CD1 4.07Å; I365-V739 HydrophobicContact CD1-CG2 4.47Å; I365-V739 HydrophobicContact CG2-CG1 4.46Å
366	M	94.9	Very high	94.2	Very high	17 Å²	17	40 Å²	40	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-40.3	177.1	-69.7	-163.5	-59.8	0	0	112.4	F353 F357 H362 G363 I364 F369 A370 V739	F353-M366 HydrophobicContact CE1-CE 3.66Å; F353-M366 HydrophobicContact CE1-SD 4.34Å; F353-M366 HydrophobicContact CZ-CE 3.94Å; F353-M366 HydrophobicContact CZ-SD 4.1Å; F357-M366 HydrophobicContact CD1-CE 3.46Å; F357-M366 VanDerWaalsContact CD1-CE 3.46Å; F357-M366 HydrophobicContact CD1-SD 4.35Å; F357-M366 HydrophobicContact CE1-CE 3.48Å; F357-M366 VanDerWaalsContact CE1-CE 3.48Å; F357-M366 HydrophobicContact CE1-SD 4Å; H362-M366 PolarHBondContact O-N 3.13Å; G363-M366 PolarHBondContact O-N 3.32Å; I364-M366 PolarHBondContact O-N 3.16Å; M366-F369 PolarHBondContact O-N 3.05Å; M366-A370 WeakPolarHBondContact O-CB 3.48Å; M366-A370 PolarHBondContact O-N 2.96Å; M366-V739 HydrophobicContact CG-CG1 3.85Å
367	L	95.9	Very high	94.1	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176.6	-178.1	152.1	0	0	0	111.6	G363 I364 I365 F369 A370 L371 L405	G363-L367 VanDerWaalsContact O-CB 3.32Å; G363-L367 WeakPolarHBondContact O-CB 3.44Å; G363-L367 PolarHBondContact O-N 3.21Å; I364-L367 PolarHBondContact O-N 3.17Å; I365-L367 VanDerWaalsContact C-N 3.35Å; I365-L367 PolarHBondContact O-N 3.32Å; L367-F369 PolarHBondContact O-N 2.95Å; L367-A370 PolarHBondContact O-N 3.14Å; L367-L371 HydrophobicContact CD2-CD1 3.49Å; L367-L371 VanDerWaalsContact CD2-CD1 3.49Å; L367-L371 HydrophobicContact CD2-CG 4.11Å; L367-L371 HydrophobicContact CG-CD1 4.49Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.04Å; L367-L405 HydrophobicContact CD1-CD2 3.42Å; L367-L405 VanDerWaalsContact CD1-CD2 3.42Å; L367-L405 HydrophobicContact CD1-CG 3.89Å
368	L	96.4	Very high	93.9	Very high	105 Å²	105	50.4 Å²	50.4	55%	0.55	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-41.4	177.3	-71.2	176.6	0	0	0	111.8	I364 I365 L371 F372	I364-L368 HydrophobicContact CG2-CD1 4.07Å; I364-L368 HydrophobicContact CG2-CG 4.32Å; I364-L368 WeakPolarHBondContact O-CG 3.46Å; I364-L368 PolarHBondContact O-N 2.9Å; I365-L368 PolarHBondContact O-N 2.93Å; L368-L371 PolarHBondContact O-N 3.24Å; L368-F372 WeakPolarHBondContact O-CB 3.2Å; L368-F372 PolarHBondContact O-N 2.93Å
369	F	94.4	Very high	93.9	Very high	90 Å²	90	55.8 Å²	55.8	40%	0.395	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-43	175	179.5	-110.9	0	0	0	112.1	I365 M366 L367 F372 L373 I400	I365-F369 PolarHBondContact O-N 2.86Å; M366-F369 PolarHBondContact O-N 3.05Å; L367-F369 PolarHBondContact O-N 2.95Å; F369-F372 WeakPolarHBondContact O-CB 3.3Å; F369-F372 PolarHBondContact O-N 3.38Å; F369-L373 HydrophobicContact CD1-CD1 4.26Å; F369-L373 HydrophobicContact CE1-CD1 3.69Å; F369-L373 HydrophobicContact CE1-CG 4.4Å; F369-L373 HydrophobicContact CZ-CD1 3.88Å; F369-L373 HydrophobicContact CZ-CD2 4.38Å; F369-L373 HydrophobicContact CZ-CG 4.25Å; F369-L373 PolarHBondContact O-N 3.33Å; F369-L373 VanDerWaalsContact O-N 3.13Å; F369-I400 HydrophobicContact CE1-CD1 4.37Å
370	A	95.1	Very high	93.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-43.1	176.5	0	0	0	0	0	112.3	M366 L367 F372 L373 I374 I400 L401	M366-A370 WeakPolarHBondContact O-CB 3.48Å; M366-A370 PolarHBondContact O-N 2.96Å; L367-A370 PolarHBondContact O-N 3.14Å; A370-F372 VanDerWaalsContact C-N 3.32Å; A370-F372 PolarHBondContact O-N 2.97Å; A370-L373 PolarHBondContact O-N 2.55Å; A370-I374 WeakPolarHBondContact O-CG1 3.41Å; A370-I374 PolarHBondContact O-N 3.01Å; A370-I400 HydrophobicContact CB-CB 4.14Å; A370-I400 HydrophobicContact CB-CG2 3.94Å; A370-L401 HydrophobicContact CB-CB 3.84Å
371	L	95.7	Very high	93.1	Very high	67 Å²	67	59.8 Å²	59.8	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-39.9	174.5	-74.7	179.5	0	0	0	111.7	L367 L368 L373 I374 L375 L401	L367-L371 HydrophobicContact CD2-CD1 3.49Å; L367-L371 VanDerWaalsContact CD2-CD1 3.49Å; L367-L371 HydrophobicContact CD2-CG 4.11Å; L367-L371 HydrophobicContact CG-CD1 4.49Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.04Å; L368-L371 PolarHBondContact O-N 3.24Å; L371-L373 VanDerWaalsContact C-N 3.35Å; L371-L373 PolarHBondContact O-N 3.38Å; L371-I374 PolarHBondContact O-N 3.47Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.21Å; L371-L375 PolarHBondContact O-N 3.12Å; L371-L401 HydrophobicContact CD2-CD1 4.23Å
372	F	94.7	Very high	92.6	Very high	93 Å²	93	63.5 Å²	63.5	41%	0.408	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-45.1	174.9	170.5	-95.8	0	0	0	112.2	L368 F369 A370 K376	L368-F372 WeakPolarHBondContact O-CB 3.2Å; L368-F372 PolarHBondContact O-N 2.93Å; F369-F372 WeakPolarHBondContact O-CB 3.3Å; F369-F372 PolarHBondContact O-N 3.38Å; A370-F372 VanDerWaalsContact C-N 3.32Å; A370-F372 PolarHBondContact O-N 2.97Å; F372-K376 HydrophobicContact CD2-CD 4.34Å; F372-K376 HydrophobicContact CE2-CD 3.7Å; F372-K376 HydrophobicContact CZ-CD 4.01Å; F372-K376 PolarHBondContact O-N 3.03Å
373	L	93.2	Very high	91.8	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.9	-38.2	177.8	-67.3	177.8	0	0	0	112.5	F369 A370 L371 E377 L380 F390 R397	F369-L373 HydrophobicContact CD1-CD1 4.26Å; F369-L373 HydrophobicContact CE1-CD1 3.69Å; F369-L373 HydrophobicContact CE1-CG 4.4Å; F369-L373 HydrophobicContact CZ-CD1 3.88Å; F369-L373 HydrophobicContact CZ-CD2 4.38Å; F369-L373 HydrophobicContact CZ-CG 4.25Å; F369-L373 PolarHBondContact O-N 3.33Å; F369-L373 VanDerWaalsContact O-N 3.13Å; A370-L373 PolarHBondContact O-N 2.55Å; L371-L373 VanDerWaalsContact C-N 3.35Å; L371-L373 PolarHBondContact O-N 3.38Å; L373-E377 PolarHBondContact O-N 3.42Å; L373-L380 HydrophobicContact CD2-CD1 4.02Å; L373-F390 HydrophobicContact CD2-CE2 4.07Å; L373-F390 HydrophobicContact CD2-CZ 3.97Å; L373-R397 HydrophobicContact CB-CB 4.13Å; L373-R397 HydrophobicContact CD1-CB 4.41Å
374	I	94	Very high	90.7	Very high	35 Å²	35	78.4 Å²	78.4	18%	0.179	38%	0.379	C	S	.	.	H	α-helix	trans	-74.5	-44.7	-179.7	-67.1	164.9	0	0	0	111.3	A370 L371 K376 E377 R397 Y398 L401	A370-I374 WeakPolarHBondContact O-CG1 3.41Å; A370-I374 PolarHBondContact O-N 3.01Å; L371-I374 PolarHBondContact O-N 3.47Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 3.18Å; I374-E377 WeakPolarHBondContact O-CB 3.28Å; I374-E377 PolarHBondContact O-N 3.26Å; I374-R397 HydrophobicContact CG1-CB 4.24Å; I374-R397 HydrophobicContact CG1-CG 4.15Å; I374-Y398 HydrophobicContact CD1-CD1 3.98Å; I374-Y398 HydrophobicContact CD1-CE1 4.06Å; I374-Y398 HydrophobicContact CG1-CD1 4.48Å; I374-Y398 HydrophobicContact CG1-CE1 4.23Å; I374-L401 HydrophobicContact CD1-CB 4.1Å; I374-L401 HydrophobicContact CD1-CD1 3.34Å; I374-L401 HydrophobicContact CD1-CG 4.35Å
375	L	94.3	Very high	89.7	Confident	147 Å²	147	77.3 Å²	77.3	77%	0.77	37%	0.373	S	S	*	.	H	α-helix	trans	-64.6	-33.5	-179.6	-70.5	174.1	0	0	0	112.2	L371	L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 VanDerWaalsContact O-CG 3.24Å; L371-L375 WeakPolarHBondContact O-CG 3.21Å; L371-L375 PolarHBondContact O-N 3.12Å
376	K	91.5	Very high	88.4	Confident	91 Å²	91	82.2 Å²	82.2	40%	0.396	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.6	177.6	-65.6	-164.4	178	-173.6	0	114.2	F372 I374 K378 Q379 L380	F372-K376 HydrophobicContact CD2-CD 4.34Å; F372-K376 HydrophobicContact CE2-CD 3.7Å; F372-K376 HydrophobicContact CZ-CD 4.01Å; F372-K376 PolarHBondContact O-N 3.03Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 3.18Å; K376-K378 PolarHBondContact O-N 3.18Å; K376-Q379 PolarHBondContact O-N 2.91Å; K376-L380 HydrophobicContact CB-CD1 4.07Å; K376-L380 HydrophobicContact CB-CG 4.12Å; K376-L380 WeakPolarHBondContact O-CG 3.3Å; K376-L380 PolarHBondContact O-N 3.49Å
377	E	91.7	Very high	87.8	Confident	39 Å²	39	86.8 Å²	86.8	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-48.1	-52.8	-175.1	177.9	178.2	175.9	0	0	113.2	L373 I374 Q379 L380 I381 F394 R397	L373-E377 PolarHBondContact O-N 3.42Å; I374-E377 WeakPolarHBondContact O-CB 3.28Å; I374-E377 PolarHBondContact O-N 3.26Å; E377-Q379 PolarHBondContact O-N 3.41Å; E377-L380 PolarHBondContact O-N 2.86Å; E377-I381 HydrophobicContact CG-CD1 3.79Å; E377-I381 VanDerWaalsContact O-CG1 3.26Å; E377-I381 WeakPolarHBondContact O-CG1 3.4Å; E377-I381 PolarHBondContact O-N 3Å; E377-F394 HydrophobicContact CG-CZ 4.16Å; E377-R397 IonicContact OE1-CZ 3.97Å; E377-R397 IonicContact OE1-NE 3Å; E377-R397 IonicContact OE1-NH2 3.24Å; E377-R397 PolarHBondContact OE1-NH2 2.71Å; E377-R397 IonicContact OE2-NE 2.6Å; E377-R397 IonicContact OE2-NH2 3.02Å
378	K	89.4	Confident	87.3	Confident	185 Å²	185	92.7 Å²	92.7	80%	0.804	44%	0.44	S	S	*	.	H	α-helix	trans	-62.8	-39.7	-179.4	-64.5	-173.9	178.6	-175.2	0	113	K376 A382	K376-K378 PolarHBondContact O-N 3.18Å; K378-A382 WeakPolarHBondContact O-CB 3.28Å; K378-A382 PolarHBondContact O-N 3.49Å; K378-A382 VanDerWaalsContact O-N 3.11Å
379	Q	89.6	Confident	86.7	Confident	115 Å²	115	93.9 Å²	93.9	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-70.7	-37.5	179.9	-64.7	179.9	2.3	0	0	111.4	K376 E377 R383	K376-Q379 PolarHBondContact O-N 2.91Å; E377-Q379 PolarHBondContact O-N 3.41Å; Q379-R383 WeakPolarHBondContact O-CG 3.44Å; Q379-R383 PolarHBondContact O-N 2.95Å; Q379-R383 VanDerWaalsContact O-N 3.1Å
380	L	86.3	Confident	86.4	Confident	18 Å²	18	92.1 Å²	92.1	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-71.5	-41	179.5	-69.7	172.3	0	0	0	111.7	L373 K376 E377 A382 R383 I385 F390 F394	L373-L380 HydrophobicContact CD2-CD1 4.02Å; K376-L380 HydrophobicContact CB-CD1 4.07Å; K376-L380 HydrophobicContact CB-CG 4.12Å; K376-L380 WeakPolarHBondContact O-CG 3.3Å; K376-L380 PolarHBondContact O-N 3.49Å; E377-L380 PolarHBondContact O-N 2.86Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-R383 PolarHBondContact O-N 2.96Å; L380-I385 HydrophobicContact CD2-CD1 4.05Å; L380-F390 HydrophobicContact CD1-CZ 4.09Å; L380-F390 HydrophobicContact CD2-CE1 4.22Å; L380-F390 HydrophobicContact CD2-CZ 3.85Å; L380-F390 HydrophobicContact CG-CZ 4.49Å; L380-F394 HydrophobicContact CB-CD2 4.38Å; L380-F394 HydrophobicContact CB-CE2 3.86Å; L380-F394 HydrophobicContact CB-CZ 4.3Å; L380-F394 HydrophobicContact CD1-CD2 4.1Å; L380-F394 HydrophobicContact CD1-CE2 3.92Å
381	I	84.2	Confident	85.9	Confident	93 Å²	93	97.3 Å²	97.3	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-60.3	-45.8	172.9	-67.3	165.2	0	0	0	110.1	E377 R383 K384 F394	E377-I381 HydrophobicContact CG-CD1 3.79Å; E377-I381 VanDerWaalsContact O-CG1 3.26Å; E377-I381 WeakPolarHBondContact O-CG1 3.4Å; E377-I381 PolarHBondContact O-N 3Å; I381-R383 VanDerWaalsContact C-N 3.26Å; I381-R383 PolarHBondContact O-N 3.34Å; I381-K384 PolarHBondContact O-N 2.83Å; I381-F394 HydrophobicContact CD1-CE1 4.27Å; I381-F394 HydrophobicContact CD1-CZ 4.05Å; I381-F394 HydrophobicContact CG1-CE1 3.64Å; I381-F394 HydrophobicContact CG1-CZ 3.57Å
382	A	81.7	Confident	85.6	Confident	80 Å²	80	100 Å²	100	66%	0.661	47%	0.474	S	S	*	.	H	α-helix	trans	-64	-29.5	179.1	0	0	0	0	0	113.5	K378 L380 K384	K378-A382 WeakPolarHBondContact O-CB 3.28Å; K378-A382 PolarHBondContact O-N 3.49Å; K378-A382 VanDerWaalsContact O-N 3.11Å; L380-A382 VanDerWaalsContact C-N 3.34Å; A382-K384 VanDerWaalsContact C-N 3.28Å; A382-K384 PolarHBondContact O-N 2.79Å
383	R	78.7	Confident	85.4	Confident	185 Å²	185	99.3 Å²	99.3	70%	0.698	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-11.8	179	-80.8	-178.6	179.6	-158.4	-1.5	114.3	Q379 L380 I381 I385	Q379-R383 WeakPolarHBondContact O-CG 3.44Å; Q379-R383 PolarHBondContact O-N 2.95Å; Q379-R383 VanDerWaalsContact O-N 3.1Å; L380-R383 PolarHBondContact O-N 2.96Å; I381-R383 VanDerWaalsContact C-N 3.26Å; I381-R383 PolarHBondContact O-N 3.34Å; R383-I385 VanDerWaalsContact C-N 3.29Å; R383-I385 HydrophobicContact CB-CD1 4.49Å; R383-I385 HydrophobicContact CB-CG1 4.06Å; R383-I385 PolarHBondContact O-N 2.95Å
384	K	72	Confident	85.3	Confident	129 Å²	129	100.8 Å²	100.8	56%	0.561	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.9	54.3	179.7	-65	-176.7	178.2	177	0	112.5	D81 I381 A382 R386	D81-K384 IonicContact OD2-NZ 3.97Å; D81-K384 PolarHBondContact OD2-NZ 3.15Å; I381-K384 PolarHBondContact O-N 2.83Å; A382-K384 VanDerWaalsContact C-N 3.28Å; A382-K384 PolarHBondContact O-N 2.79Å; K384-R386 PolarHBondContact O-N 3.12Å
385	I	74.6	Confident	85	Confident	50 Å²	50	101.3 Å²	101.3	26%	0.256	49%	0.492	S	S	.	.			trans	-65.6	120	-178	-62.8	170.5	0	0	0	108.9	L380 R383 N387 F390 Q391	L380-I385 HydrophobicContact CD2-CD1 4.05Å; R383-I385 VanDerWaalsContact C-N 3.29Å; R383-I385 HydrophobicContact CB-CD1 4.49Å; R383-I385 HydrophobicContact CB-CG1 4.06Å; R383-I385 PolarHBondContact O-N 2.95Å; I385-N387 VanDerWaalsContact C-N 3.32Å; I385-N387 HydrophobicContact CG2-CB 4.09Å; I385-N387 PolarHBondContact O-N 2.92Å; I385-F390 HydrophobicContact CB-CD1 4.03Å; I385-F390 HydrophobicContact CB-CE1 4.45Å; I385-F390 HydrophobicContact CD1-CD1 3.97Å; I385-F390 HydrophobicContact CD1-CE1 3.65Å; I385-F390 HydrophobicContact CD1-CZ 4.14Å; I385-F390 HydrophobicContact CG2-CB 4.28Å; I385-F390 HydrophobicContact CG2-CD1 3.92Å; I385-F390 HydrophobicContact CG2-CG 4.25Å; I385-Q391 PolarHBondContact O-NE2 3.41Å
386	R	68.1	Low	84.8	Confident	157 Å²	157	95 Å²	95	59%	0.592	46%	0.462	S	S	*	.			trans	-78.9	-8.2	-175.9	-69.1	174.3	54.7	139.5	3.2	115.1	K384 E388 G787 D788	K384-R386 PolarHBondContact O-N 3.12Å; R386-E388 PolarHBondContact O-N 3.49Å; R386-E388 VanDerWaalsContact O-N 3.11Å; R386-G787 PolarHBondContact NH1-O 3.36Å; R386-G787 PolarHBondContact NH2-O 3.28Å; R386-D788 PolarHBondContact NH1-OXT 2.93Å
387	N	82.4	Confident	85	Confident	113 Å²	113	91.9 Å²	91.9	60%	0.604	45%	0.448	S	S	*	.			trans	-69.7	110.9	-178.4	-71	-10.3	0	0	0	110	I385 M389 F390 Q391	I385-N387 VanDerWaalsContact C-N 3.32Å; I385-N387 HydrophobicContact CG2-CB 4.09Å; I385-N387 PolarHBondContact O-N 2.92Å; N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.14Å; N387-F390 HydrophobicContact CB-CB 4.05Å; N387-F390 WeakPolarHBondContact O-CA 3.24Å; N387-F390 WeakPolarHBondContact O-CB 3.27Å; N387-F390 PolarHBondContact O-N 2.93Å; N387-Q391 PolarHBondContact O-N 3.42Å
388	E	85.2	Confident	85.1	Confident	155 Å²	155	91.4 Å²	91.4	72%	0.724	45%	0.445	S	S	*	.	H	α-helix	trans	-51.2	-45.2	-179.8	-65.4	179.6	174.8	0	0	112.1	R386 F390 Q391 I392	R386-E388 PolarHBondContact O-N 3.49Å; R386-E388 VanDerWaalsContact O-N 3.11Å; E388-F390 VanDerWaalsContact C-N 3.29Å; E388-F390 PolarHBondContact O-N 2.8Å; E388-Q391 WeakPolarHBondContact O-CB 3.44Å; E388-Q391 PolarHBondContact O-N 3.22Å; E388-Q391 VanDerWaalsContact O-N 3.08Å; E388-I392 WeakPolarHBondContact O-CG1 3.44Å; E388-I392 PolarHBondContact O-N 3.37Å
389	M	84.5	Confident	85.4	Confident	129 Å²	129	83 Å²	83	64%	0.635	41%	0.408	S	S	*	.	H	α-helix	trans	-56.3	-43.4	176.5	-65.8	-60.4	-69.1	0	0	112	N387 I392 F393	N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.14Å; M389-I392 PolarHBondContact O-N 2.86Å; M389-F393 HydrophobicContact CE-CE2 4.42Å; M389-F393 WeakPolarHBondContact O-CD2 3.43Å; M389-F393 PolarHBondContact O-N 3.13Å
390	F	87.5	Confident	85.7	Confident	54 Å²	54	78.4 Å²	78.4	24%	0.237	39%	0.387	C	S	.	.	H	α-helix	trans	-69.2	-36.3	178.9	-173.6	-95.1	0	0	0	111.7	L373 L380 I385 N387 E388 I392 F393 F394	L373-F390 HydrophobicContact CD2-CE2 4.07Å; L373-F390 HydrophobicContact CD2-CZ 3.97Å; L380-F390 HydrophobicContact CD1-CZ 4.09Å; L380-F390 HydrophobicContact CD2-CE1 4.22Å; L380-F390 HydrophobicContact CD2-CZ 3.85Å; L380-F390 HydrophobicContact CG-CZ 4.49Å; I385-F390 HydrophobicContact CB-CD1 4.03Å; I385-F390 HydrophobicContact CB-CE1 4.45Å; I385-F390 HydrophobicContact CD1-CD1 3.97Å; I385-F390 HydrophobicContact CD1-CE1 3.65Å; I385-F390 HydrophobicContact CD1-CZ 4.14Å; I385-F390 HydrophobicContact CG2-CB 4.28Å; I385-F390 HydrophobicContact CG2-CD1 3.92Å; I385-F390 HydrophobicContact CG2-CG 4.25Å; N387-F390 HydrophobicContact CB-CB 4.05Å; N387-F390 WeakPolarHBondContact O-CA 3.24Å; N387-F390 WeakPolarHBondContact O-CB 3.27Å; N387-F390 PolarHBondContact O-N 2.93Å; E388-F390 VanDerWaalsContact C-N 3.29Å; E388-F390 PolarHBondContact O-N 2.8Å; F390-I392 VanDerWaalsContact C-N 3.35Å; F390-F393 PolarHBondContact O-N 2.81Å; F390-F394 HydrophobicContact CD1-CB 4.45Å; F390-F394 HydrophobicContact CE1-CB 4.23Å; F390-F394 VanDerWaalsContact O-CB 3.23Å; F390-F394 WeakPolarHBondContact O-CB 3.34Å; F390-F394 PolarHBondContact O-N 2.86Å
391	Q	85.5	Confident	86.1	Confident	109 Å²	109	79.2 Å²	79.2	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-40.5	176.2	-67.3	-176.9	-2.7	0	0	111.8	I385 N387 E388 F394 G395	I385-Q391 PolarHBondContact O-NE2 3.41Å; N387-Q391 PolarHBondContact O-N 3.42Å; E388-Q391 WeakPolarHBondContact O-CB 3.44Å; E388-Q391 PolarHBondContact O-N 3.22Å; E388-Q391 VanDerWaalsContact O-N 3.08Å; Q391-F394 PolarHBondContact O-N 3.18Å; Q391-G395 PolarHBondContact O-N 2.73Å
392	I	89.2	Confident	86.7	Confident	122 Å²	122	76.1 Å²	76.1	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-49.8	174.8	-64.7	166.1	0	0	0	110.5	E388 M389 F390 F394 G395 G396	E388-I392 WeakPolarHBondContact O-CG1 3.44Å; E388-I392 PolarHBondContact O-N 3.37Å; M389-I392 PolarHBondContact O-N 2.86Å; F390-I392 VanDerWaalsContact C-N 3.35Å; I392-F394 VanDerWaalsContact C-N 3.34Å; I392-F394 PolarHBondContact O-N 3.34Å; I392-G395 PolarHBondContact O-N 2.87Å; I392-G396 PolarHBondContact O-N 3.42Å; I392-G396 VanDerWaalsContact O-N 3.16Å
393	F	89.8	Confident	87.4	Confident	80 Å²	80	72.9 Å²	72.9	35%	0.351	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-37.5	177.2	-73.1	-66	0	0	0	112.7	M389 F390 G396 R397 I400	M389-F393 HydrophobicContact CE-CE2 4.42Å; M389-F393 WeakPolarHBondContact O-CD2 3.43Å; M389-F393 PolarHBondContact O-N 3.13Å; F390-F393 PolarHBondContact O-N 2.81Å; F393-G396 CarbonylContact O-C 3.16Å; F393-G396 PolarHBondContact O-N 2.91Å; F393-R397 PolarHBondContact O-N 3.27Å; F393-I400 HydrophobicContact CD1-CD1 4.03Å
394	F	90.8	Very high	88.2	Confident	31 Å²	31	64.1 Å²	64.1	14%	0.136	31%	0.314	C	S	.	.	H	α-helix	trans	-70	-37.9	-179.8	-175.4	-105.8	0	0	0	112.7	E377 L380 I381 F390 Q391 I392 G396 R397	E377-F394 HydrophobicContact CG-CZ 4.16Å; L380-F394 HydrophobicContact CB-CD2 4.38Å; L380-F394 HydrophobicContact CB-CE2 3.86Å; L380-F394 HydrophobicContact CB-CZ 4.3Å; L380-F394 HydrophobicContact CD1-CD2 4.1Å; L380-F394 HydrophobicContact CD1-CE2 3.92Å; I381-F394 HydrophobicContact CD1-CE1 4.27Å; I381-F394 HydrophobicContact CD1-CZ 4.05Å; I381-F394 HydrophobicContact CG1-CE1 3.64Å; I381-F394 HydrophobicContact CG1-CZ 3.57Å; F390-F394 HydrophobicContact CD1-CB 4.45Å; F390-F394 HydrophobicContact CE1-CB 4.23Å; F390-F394 VanDerWaalsContact O-CB 3.23Å; F390-F394 WeakPolarHBondContact O-CB 3.34Å; F390-F394 PolarHBondContact O-N 2.86Å; Q391-F394 PolarHBondContact O-N 3.18Å; I392-F394 VanDerWaalsContact C-N 3.34Å; I392-F394 PolarHBondContact O-N 3.34Å; F394-G396 VanDerWaalsContact C-N 3.28Å; F394-G396 PolarHBondContact O-N 3.13Å; F394-R397 WeakPolarHBondContact O-CG 3.32Å; F394-R397 PolarHBondContact O-N 3.48Å; F394-R397 PolarHBondContact O-NH1 2.98Å
395	G	88.3	Confident	89.3	Confident	46 Å²	46	61.3 Å²	61.3	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-63.6	-34.5	172.2	0	0	0	0	0	112.3	Q391 I392	Q391-G395 PolarHBondContact O-N 2.73Å; I392-G395 PolarHBondContact O-N 2.87Å
396	G	90.9	Very high	90.4	Very high	14 Å²	14	61.3 Å²	61.3	14%	0.144	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.8	178.2	0	0	0	0	0	116.5	I392 F393 F394 Y398 I399 I400	I392-G396 PolarHBondContact O-N 3.42Å; I392-G396 VanDerWaalsContact O-N 3.16Å; F393-G396 CarbonylContact O-C 3.16Å; F393-G396 PolarHBondContact O-N 2.91Å; F394-G396 VanDerWaalsContact C-N 3.28Å; F394-G396 PolarHBondContact O-N 3.13Å; G396-Y398 VanDerWaalsContact C-N 3.3Å; G396-Y398 PolarHBondContact O-N 2.91Å; G396-Y398 VanDerWaalsContact O-N 3.13Å; G396-I399 WeakPolarHBondContact O-CA 3.31Å; G396-I399 WeakPolarHBondContact O-CB 3.43Å; G396-I399 PolarHBondContact O-N 3.01Å; G396-I400 PolarHBondContact O-N 3.08Å
397	R	94.2	Very high	91.7	Very high	25 Å²	25	53.9 Å²	53.9	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-54	-38.9	-169.9	64.3	-179.4	172.1	-88.7	1.9	115	L373 I374 E377 F393 F394 L401	L373-R397 HydrophobicContact CB-CB 4.13Å; L373-R397 HydrophobicContact CD1-CB 4.41Å; I374-R397 HydrophobicContact CG1-CB 4.24Å; I374-R397 HydrophobicContact CG1-CG 4.15Å; E377-R397 IonicContact OE1-CZ 3.97Å; E377-R397 IonicContact OE1-NE 3Å; E377-R397 IonicContact OE1-NH2 3.24Å; E377-R397 PolarHBondContact OE1-NH2 2.71Å; E377-R397 IonicContact OE2-NE 2.6Å; E377-R397 IonicContact OE2-NH2 3.02Å; F393-R397 PolarHBondContact O-N 3.27Å; F394-R397 WeakPolarHBondContact O-CG 3.32Å; F394-R397 PolarHBondContact O-N 3.48Å; F394-R397 PolarHBondContact O-NH1 2.98Å; R397-L401 PolarHBondContact O-N 3.3Å; R397-L401 VanDerWaalsContact O-N 3.17Å
398	Y	94.7	Very high	92.3	Very high	30 Å²	30	51.4 Å²	51.4	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-75.4	-28.4	178.3	-64.3	-65.4	0	0	0	113	K319 F320 I374 G396 L401 L402	K319-Y398 HydrophobicContact CB-CE2 4.47Å; K319-Y398 HydrophobicContact CG-CE2 4.4Å; K319-Y398 VanDerWaalsContact O-CD2 3.29Å; K319-Y398 WeakPolarHBondContact O-CD2 3.49Å; K319-Y398 WeakPolarHBondContact O-CE2 3.3Å; F320-Y398 AromaticContact CD2-CD1 3.83Å; F320-Y398 HydrophobicContact CD2-CD1 3.83Å; F320-Y398 HydrophobicContact CD2-CD2 4.34Å; F320-Y398 AromaticContact CD2-CG 3.71Å; F320-Y398 HydrophobicContact CD2-CG 3.71Å; F320-Y398 HydrophobicContact CE2-CD1 4.37Å; F320-Y398 HydrophobicContact CE2-CG 4.33Å; I374-Y398 HydrophobicContact CD1-CD1 3.98Å; I374-Y398 HydrophobicContact CD1-CE1 4.06Å; I374-Y398 HydrophobicContact CG1-CD1 4.48Å; I374-Y398 HydrophobicContact CG1-CE1 4.23Å; G396-Y398 VanDerWaalsContact C-N 3.3Å; G396-Y398 PolarHBondContact O-N 2.91Å; G396-Y398 VanDerWaalsContact O-N 3.13Å; Y398-L401 PolarHBondContact O-N 3.01Å; Y398-L402 PolarHBondContact O-N 3.39Å; Y398-L402 VanDerWaalsContact O-N 3.14Å
399	I	95.5	Very high	92.7	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-68.4	-46.8	174.9	-60.3	158.5	0	0	0	109.2	F324 I327 F349 G396 L401 L402 M403 F747	F324-I399 HydrophobicContact CD1-CG1 4.04Å; F324-I399 HydrophobicContact CD2-CG1 4.06Å; F324-I399 HydrophobicContact CE1-CB 4.4Å; F324-I399 HydrophobicContact CE1-CG1 3.71Å; F324-I399 HydrophobicContact CE1-CG2 4.26Å; F324-I399 HydrophobicContact CE2-CG1 3.73Å; F324-I399 HydrophobicContact CG-CG1 4.21Å; F324-I399 HydrophobicContact CZ-CB 4.15Å; F324-I399 HydrophobicContact CZ-CG1 3.54Å; F324-I399 HydrophobicContact CZ-CG2 4.4Å; I327-I399 HydrophobicContact CD1-CD1 3.43Å; I327-I399 VanDerWaalsContact CD1-CD1 3.43Å; I327-I399 HydrophobicContact CG1-CD1 4.44Å; F349-I399 HydrophobicContact CD1-CG2 4.18Å; F349-I399 HydrophobicContact CE1-CG2 3.81Å; G396-I399 WeakPolarHBondContact O-CA 3.31Å; G396-I399 WeakPolarHBondContact O-CB 3.43Å; G396-I399 PolarHBondContact O-N 3.01Å; I399-L401 VanDerWaalsContact C-N 3.28Å; I399-L401 PolarHBondContact O-N 3.48Å; I399-L402 PolarHBondContact O-N 2.98Å; I399-M403 HydrophobicContact CG2-CE 4.11Å; I399-M403 HydrophobicContact CG2-CG 4.34Å; I399-M403 HydrophobicContact CG2-SD 4.2Å; I399-M403 WeakPolarHBondContact O-CB 3.44Å; I399-M403 VanDerWaalsContact O-CG 3.3Å; I399-M403 WeakPolarHBondContact O-CG 3.38Å; I399-M403 PolarHBondContact O-N 3.39Å; I399-F747 HydrophobicContact CG2-CE2 4.36Å
400	I	95.2	Very high	93.1	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-38.7	177.3	-54.8	170.6	0	0	0	110.8	F369 A370 F393 G396 M403 G404	F369-I400 HydrophobicContact CE1-CD1 4.37Å; A370-I400 HydrophobicContact CB-CB 4.14Å; A370-I400 HydrophobicContact CB-CG2 3.94Å; F393-I400 HydrophobicContact CD1-CD1 4.03Å; G396-I400 PolarHBondContact O-N 3.08Å; I400-M403 HydrophobicContact CB-CE 4.35Å; I400-M403 HydrophobicContact CG1-CE 4.06Å; I400-M403 PolarHBondContact O-N 2.89Å; I400-G404 PolarHBondContact O-N 3.28Å
401	L	95.8	Very high	93.3	Very high	35 Å²	35	41.8 Å²	41.8	18%	0.183	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-50.1	175.1	178.3	146.7	0	0	0	111.8	A370 L371 I374 R397 Y398 I399 G404 L405	A370-L401 HydrophobicContact CB-CB 3.84Å; L371-L401 HydrophobicContact CD2-CD1 4.23Å; I374-L401 HydrophobicContact CD1-CB 4.1Å; I374-L401 HydrophobicContact CD1-CD1 3.34Å; I374-L401 HydrophobicContact CD1-CG 4.35Å; R397-L401 PolarHBondContact O-N 3.3Å; R397-L401 VanDerWaalsContact O-N 3.17Å; Y398-L401 PolarHBondContact O-N 3.01Å; I399-L401 VanDerWaalsContact C-N 3.28Å; I399-L401 PolarHBondContact O-N 3.48Å; L401-G404 PolarHBondContact O-N 3.49Å; L401-L405 HydrophobicContact CD2-CD1 3.63Å; L401-L405 HydrophobicContact CG-CD1 4.37Å; L401-L405 PolarHBondContact O-N 2.75Å
402	L	96	Very high	93.5	Very high	28 Å²	28	39.9 Å²	39.9	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-40.5	179.8	-74.7	177.9	0	0	0	111.3	F320 F324 I346 P350 Y398 I399 G404 L405 F406	F320-L402 HydrophobicContact CE2-CD1 4.24Å; F320-L402 HydrophobicContact CZ-CD1 3.7Å; F324-L402 HydrophobicContact CE2-CD1 4.1Å; F324-L402 HydrophobicContact CZ-CD1 3.7Å; I346-L402 HydrophobicContact CG2-CD1 4.18Å; I346-L402 WeakPolarHBondContact O-CD1 3.29Å; P350-L402 HydrophobicContact CB-CB 3.83Å; P350-L402 HydrophobicContact CG-CB 3.69Å; P350-L402 HydrophobicContact CG-CD1 4.3Å; Y398-L402 PolarHBondContact O-N 3.39Å; Y398-L402 VanDerWaalsContact O-N 3.14Å; I399-L402 PolarHBondContact O-N 2.98Å; L402-G404 VanDerWaalsContact C-N 3.32Å; L402-G404 PolarHBondContact O-N 2.94Å; L402-L405 PolarHBondContact O-N 3.01Å; L402-F406 HydrophobicContact CB-CD2 4.39Å; L402-F406 HydrophobicContact CD2-CE2 4.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.49Å; L402-F406 PolarHBondContact O-N 3.48Å
403	M	96.1	Very high	93.5	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-43.4	175.1	-74.6	-167.9	-52.7	0	0	112	F349 P350 F353 I399 I400 S407 F747	F349-M403 HydrophobicContact CE1-SD 4.04Å; P350-M403 HydrophobicContact CB-CG 4.08Å; P350-M403 HydrophobicContact CG-CG 4.48Å; F353-M403 HydrophobicContact CB-CG 4.35Å; F353-M403 HydrophobicContact CB-SD 4.25Å; F353-M403 HydrophobicContact CD1-CB 3.59Å; F353-M403 HydrophobicContact CD1-CG 3.59Å; F353-M403 HydrophobicContact CD1-SD 3.73Å; F353-M403 HydrophobicContact CD2-SD 3.8Å; F353-M403 HydrophobicContact CE1-CB 3.65Å; F353-M403 HydrophobicContact CE1-CG 4.05Å; F353-M403 HydrophobicContact CE1-SD 3.99Å; F353-M403 HydrophobicContact CE2-SD 4.04Å; F353-M403 HydrophobicContact CG-CB 4.43Å; F353-M403 HydrophobicContact CG-CG 3.95Å; F353-M403 HydrophobicContact CG-SD 3.62Å; F353-M403 HydrophobicContact CZ-SD 4.14Å; I399-M403 HydrophobicContact CG2-CE 4.11Å; I399-M403 HydrophobicContact CG2-CG 4.34Å; I399-M403 HydrophobicContact CG2-SD 4.2Å; I399-M403 WeakPolarHBondContact O-CB 3.44Å; I399-M403 VanDerWaalsContact O-CG 3.3Å; I399-M403 WeakPolarHBondContact O-CG 3.38Å; I399-M403 PolarHBondContact O-N 3.39Å; I400-M403 HydrophobicContact CB-CE 4.35Å; I400-M403 HydrophobicContact CG1-CE 4.06Å; I400-M403 PolarHBondContact O-N 2.89Å; M403-S407 WeakPolarHBondContact O-CB 3.3Å; M403-S407 PolarHBondContact O-N 2.93Å; M403-F747 HydrophobicContact CE-CD2 3.98Å; M403-F747 HydrophobicContact CE-CE2 4.43Å; M403-F747 HydrophobicContact SD-CD2 3.75Å; M403-F747 HydrophobicContact SD-CE2 4.38Å
404	G	95.7	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-44.3	175.2	0	0	0	0	0	112.9	I400 L401 L402 S407 M408	I400-G404 PolarHBondContact O-N 3.28Å; L401-G404 PolarHBondContact O-N 3.49Å; L402-G404 VanDerWaalsContact C-N 3.32Å; L402-G404 PolarHBondContact O-N 2.94Å; G404-S407 PolarHBondContact O-N 3.49Å; G404-M408 WeakPolarHBondContact O-CB 3.42Å; G404-M408 PolarHBondContact O-N 3.46Å
405	L	96.3	Very high	93.3	Very high	70 Å²	70	32.5 Å²	32.5	37%	0.366	17%	0.168	S	C	.	.	H	α-helix	trans	-65	-45.6	178	-76.5	171.8	0	0	0	112.8	L367 L401 L402 M408 Y409	L367-L405 HydrophobicContact CD1-CD2 3.42Å; L367-L405 VanDerWaalsContact CD1-CD2 3.42Å; L367-L405 HydrophobicContact CD1-CG 3.89Å; L401-L405 HydrophobicContact CD2-CD1 3.63Å; L401-L405 HydrophobicContact CG-CD1 4.37Å; L401-L405 PolarHBondContact O-N 2.75Å; L402-L405 PolarHBondContact O-N 3.01Å; L405-M408 HydrophobicContact CD2-CE 4.18Å; L405-M408 WeakPolarHBondContact O-CB 3.41Å; L405-M408 PolarHBondContact O-N 2.87Å; L405-Y409 PolarHBondContact O-N 3.07Å; L405-Y409 VanDerWaalsContact O-N 3.07Å
406	F	96.5	Very high	93.3	Very high	51 Å²	51	31 Å²	31	22%	0.224	15%	0.149	C	C	.	.	H	α-helix	trans	-69.6	-36.4	177.4	-77.2	-69.5	0	0	0	111.6	I347 P350 F351 A354 L402 M408 Y409 T410	I347-F406 HydrophobicContact CG2-CZ 4.13Å; P350-F406 HydrophobicContact CB-CD2 3.52Å; P350-F406 HydrophobicContact CB-CE2 4.05Å; P350-F406 HydrophobicContact CB-CG 4.43Å; F351-F406 HydrophobicContact CB-CD1 4.48Å; F351-F406 HydrophobicContact CD2-CD1 4.21Å; A354-F406 HydrophobicContact CB-CB 3.56Å; A354-F406 WeakPolarHBondContact CB-O 2.9Å; L402-F406 HydrophobicContact CB-CD2 4.39Å; L402-F406 HydrophobicContact CD2-CE2 4.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.49Å; L402-F406 PolarHBondContact O-N 3.48Å; F406-M408 VanDerWaalsContact C-N 3.32Å; F406-M408 PolarHBondContact O-N 3.42Å; F406-Y409 WeakPolarHBondContact O-CB 3.07Å; F406-Y409 PolarHBondContact O-N 2.89Å; F406-Y409 VanDerWaalsContact O-N 3.17Å; F406-T410 PolarHBondContact O-N 3.26Å; F406-T410 PolarHBondContact O-OG1 3.24Å
407	S	95.6	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-38.7	174	174.9	0	0	0	0	111.8	F357 D359 G363 M403 G404 T410 G411	F357-S407 PolarHBondContact O-OG 3.24Å; D359-S407 PolarHBondContact O-OG 3.46Å; G363-S407 WeakPolarHBondContact CA-OG 3.48Å; M403-S407 WeakPolarHBondContact O-CB 3.3Å; M403-S407 PolarHBondContact O-N 2.93Å; G404-S407 PolarHBondContact O-N 3.49Å; S407-T410 WeakPolarHBondContact CA-OG1 3.22Å; S407-T410 PolarHBondContact O-OG1 3.41Å; S407-G411 PolarHBondContact O-N 3.3Å
408	M	94.4	Very high	93	Very high	61 Å²	61	35 Å²	35	30%	0.3	17%	0.166	S	C	.	.	H	α-helix	trans	-60.6	-45.9	171.2	-170	-177.1	64.6	0	0	111.2	L360 G404 L405 F406 G411 I412	L360-M408 HydrophobicContact CD1-CB 4.28Å; L360-M408 HydrophobicContact CD1-CG 3.34Å; G404-M408 WeakPolarHBondContact O-CB 3.42Å; G404-M408 PolarHBondContact O-N 3.46Å; L405-M408 HydrophobicContact CD2-CE 4.18Å; L405-M408 WeakPolarHBondContact O-CB 3.41Å; L405-M408 PolarHBondContact O-N 2.87Å; F406-M408 VanDerWaalsContact C-N 3.32Å; F406-M408 PolarHBondContact O-N 3.42Å; M408-G411 PolarHBondContact O-N 3.36Å; M408-I412 HydrophobicContact CG-CD1 4.48Å; M408-I412 VanDerWaalsContact O-CG1 3.3Å; M408-I412 WeakPolarHBondContact O-CG1 3.41Å; M408-I412 PolarHBondContact O-N 3.17Å
409	Y	94.3	Very high	92.6	Very high	131 Å²	131	33.8 Å²	33.8	51%	0.514	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-48.3	177.5	171.4	-103.6	0	0	0	112.7	L405 F406 I412 I413	L405-Y409 PolarHBondContact O-N 3.07Å; L405-Y409 VanDerWaalsContact O-N 3.07Å; F406-Y409 WeakPolarHBondContact O-CB 3.07Å; F406-Y409 PolarHBondContact O-N 2.89Å; F406-Y409 VanDerWaalsContact O-N 3.17Å; Y409-I412 PolarHBondContact O-N 3.19Å; Y409-I413 HydrophobicContact CD1-CD1 3.96Å; Y409-I413 HydrophobicContact CE1-CD1 3.37Å; Y409-I413 HydrophobicContact CE2-CD1 4Å; Y409-I413 VanDerWaalsContact CZ-CD1 3.4Å; Y409-I413 WeakPolarHBondContact O-CG1 3.42Å; Y409-I413 PolarHBondContact O-N 3.45Å; Y409-I413 VanDerWaalsContact O-N 3.09Å
410	T	92.5	Very high	92.2	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-35.1	178.2	56.3	0	0	0	0	112	A354 G358 F406 S407 I412 I413 Y414	A354-T410 HydrophobicContact CB-CG2 3.69Å; A354-T410 WeakPolarHBondContact O-CB 3.3Å; A354-T410 PolarHBondContact O-OG1 3.35Å; G358-T410 WeakPolarHBondContact CA-OG1 3.33Å; F406-T410 PolarHBondContact O-N 3.26Å; F406-T410 PolarHBondContact O-OG1 3.24Å; S407-T410 WeakPolarHBondContact CA-OG1 3.22Å; S407-T410 PolarHBondContact O-OG1 3.41Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.85Å; T410-I413 WeakPolarHBondContact O-CB 3.45Å; T410-I413 PolarHBondContact O-N 2.85Å; T410-Y414 PolarHBondContact O-N 2.88Å
411	G	91.7	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-37.1	172.8	0	0	0	0	0	112.8	S407 M408 N415 E416	S407-G411 PolarHBondContact O-N 3.3Å; M408-G411 PolarHBondContact O-N 3.36Å; G411-N415 PolarHBondContact O-N 3.08Å; G411-E416 PolarHBondContact O-N 3.44Å; G411-E416 VanDerWaalsContact O-N 3.16Å
412	I	90.3	Very high	91	Very high	69 Å²	69	39.1 Å²	39.1	35%	0.354	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-42.7	172.5	-68.9	163.7	0	0	0	111	L360 M408 Y409 T410 N415 F422	L360-I412 HydrophobicContact CD1-CD1 4.29Å; L360-I412 HydrophobicContact CD1-CG1 3.95Å; L360-I412 HydrophobicContact CD2-CG1 4.11Å; M408-I412 HydrophobicContact CG-CD1 4.48Å; M408-I412 VanDerWaalsContact O-CG1 3.3Å; M408-I412 WeakPolarHBondContact O-CG1 3.41Å; M408-I412 PolarHBondContact O-N 3.17Å; Y409-I412 PolarHBondContact O-N 3.19Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.85Å; I412-N415 PolarHBondContact O-N 3Å; I412-F422 HydrophobicContact CG2-CZ 4.35Å
413	I	89.1	Confident	90.2	Very high	53 Å²	53	41.9 Å²	41.9	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-52.8	176.6	-69	172.1	0	0	0	110	Y409 T410 N415 F461	Y409-I413 HydrophobicContact CD1-CD1 3.96Å; Y409-I413 HydrophobicContact CE1-CD1 3.37Å; Y409-I413 HydrophobicContact CE2-CD1 4Å; Y409-I413 VanDerWaalsContact CZ-CD1 3.4Å; Y409-I413 WeakPolarHBondContact O-CG1 3.42Å; Y409-I413 PolarHBondContact O-N 3.45Å; Y409-I413 VanDerWaalsContact O-N 3.09Å; T410-I413 WeakPolarHBondContact O-CB 3.45Å; T410-I413 PolarHBondContact O-N 2.85Å; I413-N415 PolarHBondContact O-N 3.32Å; I413-N415 VanDerWaalsContact O-N 3.14Å; I413-F461 HydrophobicContact CG2-CD2 4.15Å; I413-F461 HydrophobicContact CG2-CE2 3.96Å; I413-F461 WeakPolarHBondContact O-CD2 3.26Å
414	Y	88.8	Confident	89.3	Confident	16 Å²	16	46.7 Å²	46.7	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-15.3	178.9	-65.5	-21.2	0	0	0	113.3	V355 T410 E416 F478 M482	V355-Y414 PolarHBondContact O-OH 2.83Å; T410-Y414 PolarHBondContact O-N 2.88Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; Y414-F478 HydrophobicContact CE1-CE1 4.46Å; Y414-M482 HydrophobicContact CE1-SD 4.2Å
415	N	87.9	Confident	88.4	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.048	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	46.1	-176.1	-168.2	8.4	0	0	0	111.3	G411 I412 I413 S421 F422 V460 F461	G411-N415 PolarHBondContact O-N 3.08Å; I412-N415 PolarHBondContact O-N 3Å; I413-N415 PolarHBondContact O-N 3.32Å; I413-N415 VanDerWaalsContact O-N 3.14Å; N415-S421 VanDerWaalsContact O-CA 3.31Å; N415-S421 WeakPolarHBondContact O-CA 3.41Å; N415-S421 WeakPolarHBondContact O-CB 3.42Å; N415-F422 HydrophobicContact CB-CZ 4.32Å; N415-F422 PolarHBondContact ND2-O 3.45Å; N415-F422 VanDerWaalsContact OD1-CD1 3.3Å; N415-F422 WeakPolarHBondContact OD1-CD1 3.5Å; N415-F422 WeakPolarHBondContact OD1-CD2 3.31Å; N415-F422 WeakPolarHBondContact OD1-CE1 3.48Å; N415-F422 VanDerWaalsContact OD1-CE2 3.28Å; N415-F422 WeakPolarHBondContact OD1-CE2 3.48Å; N415-F422 VanDerWaalsContact OD1-CG 3.24Å; N415-F422 WeakPolarHBondContact OD1-CG 3.5Å; N415-F422 WeakPolarHBondContact OD1-CZ 3.36Å; N415-F422 PolarHBondContact OD1-N 2.82Å; N415-F422 PolarHBondContact OD1-O 2.83Å; N415-V460 HydrophobicContact CB-CG1 3.97Å; N415-F461 HydrophobicContact CB-CB 4.28Å; N415-F461 PolarHBondContact ND2-O 3.31Å
416	E	87.3	Confident	87.2	Confident	16 Å²	16	51.5 Å²	51.5	8%	0.075	26%	0.258	C	S	.	.			trans	-125.1	122.2	-179.6	-68.7	-176.5	160.1	0	0	110.3	L360 G411 Y414 K420	L360-E416 WeakPolarHBondContact CB-O 3.35Å; L360-E416 PolarHBondContact N-O 3.1Å; G411-E416 PolarHBondContact O-N 3.44Å; G411-E416 VanDerWaalsContact O-N 3.16Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; E416-K420 CarbonylContact C-O 3.55Å
417	L	90.6	Very high	86.1	Confident	63 Å²	63	51 Å²	51	33%	0.33	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-131.1	104.5	174.6	174.1	71.1	0	0	0	107.6	L360 A419 K420 F422	L360-L417 HydrophobicContact CB-CB 4.41Å; L360-L417 HydrophobicContact CB-CD1 4.03Å; L360-L417 HydrophobicContact CD2-CD1 4.26Å; L360-L417 HydrophobicContact CG-CD1 3.98Å; L417-A419 PolarHBondContact O-N 3.14Å; L417-K420 PolarHBondContact N-O 3.18Å; L417-K420 PolarHBondContact O-N 3.27Å; L417-F422 HydrophobicContact CB-CD1 4.47Å
418	F	88.3	Confident	85.1	Confident	58 Å²	58	51.9 Å²	51.9	25%	0.254	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	46.9	-175.4	-58.3	-67.1	0	0	0	112.4	D359 H362 I365 K420 W704 T734	D359-F418 PolarHBondContact OD1-N 2.95Å; D359-F418 VanDerWaalsContact OD1-N 3.15Å; D359-F418 PolarHBondContact OD2-N 3.4Å; D359-F418 VanDerWaalsContact OD2-N 3.16Å; H362-F418 AromaticContact CD2-CD1 3.88Å; H362-F418 AromaticContact CD2-CE1 3.62Å; H362-F418 AromaticContact NE2-CD1 3.69Å; H362-F418 AromaticContact NE2-CE1 3.88Å; I365-F418 HydrophobicContact CD1-CE1 4.16Å; I365-F418 HydrophobicContact CD1-CZ 4.11Å; F418-K420 PolarHBondContact O-N 3.37Å; F418-W704 HydrophobicContact CB-CE3 4.49Å; F418-T734 HydrophobicContact CE1-CG2 4.23Å
419	A	86.4	Confident	84.2	Confident	6 Å²	6	51 Å²	51	5%	0.05	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	6.8	-173.5	0	0	0	0	0	117.2	L417 N466 E701	L417-A419 PolarHBondContact O-N 3.14Å; A419-N466 PolarHBondContact O-ND2 3.41Å; A419-E701 HydrophobicContact CB-CB 3.98Å
420	K	87.2	Confident	83.2	Confident	99 Å²	99	50 Å²	50	43%	0.43	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-105.4	151.1	173	-62.7	-57.5	-179.9	-169.7	0	111.8	E416 L417 F418 W704	E416-K420 CarbonylContact C-O 3.55Å; L417-K420 PolarHBondContact N-O 3.18Å; L417-K420 PolarHBondContact O-N 3.27Å; F418-K420 PolarHBondContact O-N 3.37Å; K420-W704 VanDerWaalsContact CE-CE2 3.48Å; K420-W704 HydrophobicContact CG-CZ2 4.4Å
421	S	86	Confident	82.2	Confident	38 Å²	38	55.4 Å²	55.4	27%	0.266	29%	0.288	S	S	.	.			trans	-101.9	149.1	177.6	52.6	0	0	0	0	110.3	N415 N466	N415-S421 VanDerWaalsContact O-CA 3.31Å; N415-S421 WeakPolarHBondContact O-CA 3.41Å; N415-S421 WeakPolarHBondContact O-CB 3.42Å; S421-N466 PolarHBondContact N-ND2 2.87Å; S421-N466 WeakPolarHBondContact OG-CB 3.43Å; S421-N466 PolarHBondContact OG-ND2 3.33Å
422	F	80.7	Confident	81.2	Confident	37 Å²	37	57.9 Å²	57.9	16%	0.162	30%	0.304	C	S	.	.			trans	-105.6	153.3	176.3	48.1	-98.1	0	0	0	111.1	L360 I412 N415 L417 I424 V460	L360-F422 HydrophobicContact CD2-CD1 4.39Å; L360-F422 HydrophobicContact CD2-CE1 3.85Å; I412-F422 HydrophobicContact CG2-CZ 4.35Å; N415-F422 HydrophobicContact CB-CZ 4.32Å; N415-F422 PolarHBondContact ND2-O 3.45Å; N415-F422 VanDerWaalsContact OD1-CD1 3.3Å; N415-F422 WeakPolarHBondContact OD1-CD1 3.5Å; N415-F422 WeakPolarHBondContact OD1-CD2 3.31Å; N415-F422 WeakPolarHBondContact OD1-CE1 3.48Å; N415-F422 VanDerWaalsContact OD1-CE2 3.28Å; N415-F422 WeakPolarHBondContact OD1-CE2 3.48Å; N415-F422 VanDerWaalsContact OD1-CG 3.24Å; N415-F422 WeakPolarHBondContact OD1-CG 3.5Å; N415-F422 WeakPolarHBondContact OD1-CZ 3.36Å; N415-F422 PolarHBondContact OD1-N 2.82Å; N415-F422 PolarHBondContact OD1-O 2.83Å; L417-F422 HydrophobicContact CB-CD1 4.47Å; F422-I424 HydrophobicContact CD2-CB 4.44Å; F422-I424 HydrophobicContact CD2-CD1 3.34Å; F422-I424 HydrophobicContact CD2-CG1 3.63Å; F422-I424 HydrophobicContact CE2-CD1 3.52Å; F422-I424 HydrophobicContact CE2-CG1 4.24Å; F422-I424 HydrophobicContact CG-CD1 4.28Å; F422-I424 HydrophobicContact CG-CG1 4.5Å; F422-V460 HydrophobicContact CE2-CG1 4.31Å
423	N	79	Confident	80.1	Confident	85 Å²	85	62.1 Å²	62.1	46%	0.455	33%	0.327	S	S	.	.			trans	-111.4	68.5	-176.1	-173.3	26.6	0	0	0	111.4	G426 K463	N423-G426 VanDerWaalsContact OD1-CA 3.23Å; N423-G426 WeakPolarHBondContact OD1-CA 3.18Å; N423-G426 PolarHBondContact OD1-N 2.6Å; N423-K463 HydrophobicContact CB-CD 3.81Å; N423-K463 PolarHBondContact ND2-NZ 3.02Å; N423-K463 VanDerWaalsContact ND2-NZ 3.11Å
424	I	76	Confident	79.1	Confident	114 Å²	114	65.4 Å²	65.4	59%	0.585	35%	0.345	S	S	*	.	S	Bend	trans	-80.5	-39.8	-178.4	-65	169.6	0	0	0	111.8	F422	F422-I424 HydrophobicContact CD2-CB 4.44Å; F422-I424 HydrophobicContact CD2-CD1 3.34Å; F422-I424 HydrophobicContact CD2-CG1 3.63Å; F422-I424 HydrophobicContact CE2-CD1 3.52Å; F422-I424 HydrophobicContact CE2-CG1 4.24Å; F422-I424 HydrophobicContact CG-CD1 4.28Å; F422-I424 HydrophobicContact CG-CG1 4.5Å
425	F	76.6	Confident	77.9	Confident	127 Å²	127	70.8 Å²	70.8	56%	0.557	37%	0.374	S	S	*	.	S	Bend	trans	-106.4	3.1	-170.1	-63.4	-74.1	0	0	0	114.8	V460	F425-V460 HydrophobicContact CD2-CB 3.97Å; F425-V460 HydrophobicContact CD2-CG2 3.66Å; F425-V460 HydrophobicContact CE2-CB 4.26Å; F425-V460 HydrophobicContact CE2-CG2 3.44Å; F425-V460 VanDerWaalsContact CE2-CG2 3.44Å
426	G	72.8	Confident	76.7	Confident	44 Å²	44	75.5 Å²	75.5	45%	0.454	40%	0.403	S	S	.	.			trans	79.9	173.9	-166.5	0	0	0	0	0	112.4	N423	N423-G426 VanDerWaalsContact OD1-CA 3.23Å; N423-G426 WeakPolarHBondContact OD1-CA 3.18Å; N423-G426 PolarHBondContact OD1-N 2.6Å
427	S	73.2	Confident	75.6	Confident	41 Å²	41	81.4 Å²	81.4	29%	0.287	43%	0.431	S	S	.	.			trans	-96.2	130.6	174.2	178.1	0	0	0	0	110.1	W429 V464	S427-W429 WeakPolarHBondContact CB-O 3.43Å; S427-W429 PolarHBondContact OG-N 3.24Å; S427-W429 VanDerWaalsContact OG-N 3.07Å; S427-W429 PolarHBondContact OG-O 2.75Å; S427-V464 WeakPolarHBondContact OG-CG2 3.31Å
428	S	73.7	Confident	74.2	Confident	17 Å²	17	81.7 Å²	81.7	12%	0.119	43%	0.432	C	S	.	.	S	Bend	trans	-75.4	-14	168.7	-53.5	0	0	0	0	112.9	L454 N456 F462	S428-L454 PolarHBondContact O-N 2.87Å; S428-N456 PolarHBondContact OG-O 2.7Å; S428-F462 WeakPolarHBondContact OG-CE1 3.11Å
429	W	74.9	Confident	73.2	Confident	42 Å²	42	83.8 Å²	83.8	16%	0.159	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-93.7	125.1	171.7	-69	89.8	0	0	0	109.8	S427 P448 A452 F453 V464 W465	S427-W429 WeakPolarHBondContact CB-O 3.43Å; S427-W429 PolarHBondContact OG-N 3.24Å; S427-W429 VanDerWaalsContact OG-N 3.07Å; S427-W429 PolarHBondContact OG-O 2.75Å; W429-P448 HydrophobicContact CH2-CB 3.97Å; W429-A452 CarbonylContact C-O 3.54Å; W429-A452 VanDerWaalsContact CA-O 3.31Å; W429-A452 WeakPolarHBondContact CA-O 3.26Å; W429-F453 AromaticContact CD2-CD2 3.75Å; W429-F453 HydrophobicContact CD2-CD2 3.75Å; W429-F453 AromaticContact CE2-CD2 3.35Å; W429-F453 AromaticContact CE2-CE2 3.78Å; W429-F453 HydrophobicContact CE3-CB 4.2Å; W429-F453 HydrophobicContact CE3-CD2 4.15Å; W429-F453 HydrophobicContact CG-CD2 4.33Å; W429-F453 HydrophobicContact CH2-CB 4.11Å; W429-F453 AromaticContact CH2-CD2 3.85Å; W429-F453 HydrophobicContact CH2-CD2 3.85Å; W429-F453 HydrophobicContact CH2-CG 4.24Å; W429-F453 AromaticContact CZ2-CD2 3.42Å; W429-F453 HydrophobicContact CZ2-CD2 3.42Å; W429-F453 VanDerWaalsContact CZ2-CD2 3.42Å; W429-F453 AromaticContact CZ2-CE2 3.87Å; W429-F453 HydrophobicContact CZ2-CE2 3.87Å; W429-F453 HydrophobicContact CZ2-CG 4.22Å; W429-F453 HydrophobicContact CZ3-CB 3.93Å; W429-F453 HydrophobicContact CZ3-CD2 4.2Å; W429-F453 HydrophobicContact CZ3-CG 4.48Å; W429-F453 AromaticContact NE1-CD2 3.69Å; W429-F453 AromaticContact NE1-CE2 3.7Å; W429-V464 HydrophobicContact CB-CB 4.41Å; W429-V464 HydrophobicContact CB-CG2 4.01Å; W429-W465 HydrophobicContact CZ2-CZ2 4.49Å
430	Q	73.6	Confident	72.5	Confident	112 Å²	112	87.9 Å²	87.9	52%	0.523	49%	0.487	S	S	.	.			trans	-109.5	143.9	171.2	-68.6	-176	-12.8	0	0	109.3	A452 L454	Q430-A452 PolarHBondContact N-O 2.86Å; Q430-A452 WeakPolarHBondContact O-CA 3.42Å; Q430-A452 WeakPolarHBondContact O-CB 3.43Å; Q430-L454 HydrophobicContact CG-CD1 3.72Å
431	I	72.9	Confident	71.9	Confident	117 Å²	117	85.6 Å²	85.6	60%	0.6	48%	0.484	S	S	*	.			trans	-83.2	129.3	174.9	-58.7	170.4	0	0	0	106.3	I438	I431-I438 HydrophobicContact CG2-CD1 3.66Å
432	P	70.4	Confident	71.5	Confident	53 Å²	53	93.4 Å²	93.4	34%	0.344	52%	0.516	S	S	.	.			trans	-56.2	144.2	174.5	-24.1	33.6	0	0	0	111.9	D434 A452	P432-D434 PolarHBondContact O-N 3.33Å; P432-A452 HydrophobicContact CG-CB 4.27Å
433	D	66.2	Low	71.5	Confident	157 Å²	157	101 Å²	101	84%	0.84	54%	0.544	S	S	*	.	S	Bend	trans	-70.6	-8.3	-174.5	-68.2	-39.6	0	0	0	114.4	I435	D433-I435 WeakPolarHBondContact O-CG1 3.38Å; D433-I435 PolarHBondContact O-N 3.4Å
434	D	67.7	Low	71.5	Confident	122 Å²	122	100.8 Å²	100.8	65%	0.652	54%	0.543	S	S	*	.			trans	-75	84.3	178.8	-85.9	-30.3	0	0	0	111.7	P432 T436	P432-D434 PolarHBondContact O-N 3.33Å; D434-T436 PolarHBondContact O-N 3.19Å; D434-T436 VanDerWaalsContact O-N 3.1Å
435	I	63.9	Low	71.8	Confident	130 Å²	130	103.7 Å²	103.7	67%	0.667	55%	0.553	S	S	*	*	H	α-helix	trans	-58.8	-22.6	-179.2	-57.8	164.1	0	0	0	112.4	D433 E437 I438 S439	D433-I435 WeakPolarHBondContact O-CG1 3.38Å; D433-I435 PolarHBondContact O-N 3.4Å; I435-E437 PolarHBondContact O-N 3.22Å; I435-I438 PolarHBondContact O-N 3.04Å; I435-S439 PolarHBondContact O-N 2.88Å
436	T	64.5	Low	71.9	Confident	108 Å²	108	100.1 Å²	100.1	66%	0.663	54%	0.54	S	S	*	.	H	α-helix	trans	-63.4	-42.5	-173.9	48.6	0	0	0	0	112.9	D434 I438 S439	D434-T436 PolarHBondContact O-N 3.19Å; D434-T436 VanDerWaalsContact O-N 3.1Å; T436-I438 VanDerWaalsContact C-N 3.35Å; T436-S439 PolarHBondContact O-OG 2.92Å
437	E	62.8	Low	72.1	Confident	139 Å²	139	102.6 Å²	102.6	65%	0.65	54%	0.543	S	S	*	.	H	α-helix	trans	-73.4	-30	177.5	-68.2	-170.6	167.4	0	0	112.2	I435 S439 A440	I435-E437 PolarHBondContact O-N 3.22Å; E437-S439 VanDerWaalsContact C-N 3.28Å; E437-S439 PolarHBondContact O-N 3.3Å; E437-A440 PolarHBondContact O-N 3.43Å
438	I	62.6	Low	72.3	Confident	69 Å²	69	103.6 Å²	103.6	35%	0.354	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-33.9	-177	-55.4	179.4	0	0	0	111.1	I431 I435 T436 L444	I431-I438 HydrophobicContact CG2-CD1 3.66Å; I435-I438 PolarHBondContact O-N 3.04Å; T436-I438 VanDerWaalsContact C-N 3.35Å; I438-L444 HydrophobicContact CG1-CD2 4.19Å
439	S	67.1	Low	72.3	Confident	103 Å²	103	107.5 Å²	107.5	72%	0.72	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-18.9	-177.8	68.2	0	0	0	0	114.9	I435 T436 E437	I435-S439 PolarHBondContact O-N 2.88Å; T436-S439 PolarHBondContact O-OG 2.92Å; E437-S439 VanDerWaalsContact C-N 3.28Å; E437-S439 PolarHBondContact O-N 3.3Å
440	A	71.8	Confident	71.9	Confident	91 Å²	91	107.6 Å²	107.6	75%	0.752	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-17.4	-170.7	0	0	0	0	0	114.3	E437	E437-A440 PolarHBondContact O-N 3.43Å
441	S	73.6	Confident	71.4	Confident	51 Å²	51	107.5 Å²	107.5	36%	0.357	59%	0.587	S	S	.	*			trans	-126.9	129.6	-173.9	63.1	0	0	0	0	112.2	R443	S441-R443 PolarHBondContact O-N 3.5Å
442	E	77.1	Confident	70.7	Confident	203 Å²	203	102 Å²	102	95%	0.949	56%	0.559	S	S	*	*	S	Bend	trans	-64.6	-23.4	173.3	-68.1	-173.5	168.5	0	0	112.5
443	R	80.7	Confident	70.5	Confident	196 Å²	196	102.1 Å²	102.1	74%	0.74	55%	0.554	S	S	*	*	S	Bend	trans	-133.5	112.3	179.9	-65.2	-177.6	-179	161.7	1.9	109.5	S441	S441-R443 PolarHBondContact O-N 3.5Å
444	L	80.2	Confident	70.3	Confident	81 Å²	81	97.8 Å²	97.8	42%	0.424	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-102.7	131.4	174.6	-172.6	69	0	0	0	110	I438 L446	I438-L444 HydrophobicContact CG1-CD2 4.19Å; L444-L446 HydrophobicContact CD2-CD2 4.06Å
445	Q	81.7	Confident	69.9	Low	174 Å²	174	97.2 Å²	97.2	81%	0.813	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-99.1	118.2	170.3	-178.8	174.1	-12.6	0	0	109.5
446	L	78.7	Confident	69.4	Low	53 Å²	53	96.5 Å²	96.5	28%	0.277	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-78.5	127	175.8	-60.8	175.1	0	0	0	110.1	L444 P448	L444-L446 HydrophobicContact CD2-CD2 4.06Å; L446-P448 WeakPolarHBondContact O-CD 3.45Å
447	N	77.2	Confident	68.9	Low	96 Å²	96	93.7 Å²	93.7	51%	0.513	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-76.2	120.1	177	-172.8	-14.8	0	0	0	109.9	N449 S450	N447-N449 PolarHBondContact O-N 2.97Å; N447-N449 VanDerWaalsContact O-N 3.17Å; N447-N449 WeakPolarHBondContact OD1-CB 3.35Å; N447-N449 PolarHBondContact OD1-N 2.92Å; N447-S450 PolarHBondContact O-N 3.44Å; N447-S450 VanDerWaalsContact O-N 3.13Å; N447-S450 PolarHBondContact O-OG 2.98Å
448	P	76.8	Confident	68.4	Low	62 Å²	62	95.7 Å²	95.7	40%	0.403	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.2	179.6	29.5	-38.4	0	0	0	113.8	W429 L446 S450 A538	W429-P448 HydrophobicContact CH2-CB 3.97Å; L446-P448 WeakPolarHBondContact O-CD 3.45Å; P448-S450 VanDerWaalsContact C-N 3.33Å; P448-A538 HydrophobicContact CB-CB 3.72Å; P448-A538 HydrophobicContact CG-CB 3.9Å
449	N	73.7	Confident	67.8	Low	98 Å²	98	100.5 Å²	100.5	52%	0.524	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.2	177	-164.4	20.4	0	0	0	113.2	N447 Y539	N447-N449 PolarHBondContact O-N 2.97Å; N447-N449 VanDerWaalsContact O-N 3.17Å; N447-N449 WeakPolarHBondContact OD1-CB 3.35Å; N447-N449 PolarHBondContact OD1-N 2.92Å; N449-Y539 WeakPolarHBondContact OD1-CB 3.38Å
450	S	68	Low	67	Low	45 Å²	45	97 Å²	97	32%	0.315	51%	0.514	S	S	.	.	S	Bend	trans	-87.3	168.3	177.1	69.7	0	0	0	0	111.7	N447 P448 A452 F453	N447-S450 PolarHBondContact O-N 3.44Å; N447-S450 VanDerWaalsContact O-N 3.13Å; N447-S450 PolarHBondContact O-OG 2.98Å; P448-S450 VanDerWaalsContact C-N 3.33Å; S450-A452 PolarHBondContact O-N 2.77Å; S450-A452 VanDerWaalsContact OG-CB 3.24Å; S450-A452 WeakPolarHBondContact OG-CB 3.42Å; S450-A452 PolarHBondContact OG-N 3.39Å; S450-F453 PolarHBondContact O-N 3.24Å
451	S	61.4	Low	66.3	Low	109 Å²	109	94.8 Å²	94.8	76%	0.762	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-5.5	172.5	52.5	0	0	0	0	114.4	F453	S451-F453 PolarHBondContact O-N 3.26Å
452	A	59.7	Low	65.7	Low	2 Å²	2	94.7 Å²	94.7	2%	0.017	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.6	175.8	0	0	0	0	0	113.8	W429 Q430 P432 S450	W429-A452 CarbonylContact C-O 3.54Å; W429-A452 VanDerWaalsContact CA-O 3.31Å; W429-A452 WeakPolarHBondContact CA-O 3.26Å; Q430-A452 PolarHBondContact N-O 2.86Å; Q430-A452 WeakPolarHBondContact O-CA 3.42Å; Q430-A452 WeakPolarHBondContact O-CB 3.43Å; P432-A452 HydrophobicContact CG-CB 4.27Å; S450-A452 PolarHBondContact O-N 2.77Å; S450-A452 VanDerWaalsContact OG-CB 3.24Å; S450-A452 WeakPolarHBondContact OG-CB 3.42Å; S450-A452 PolarHBondContact OG-N 3.39Å
453	F	65.8	Low	65.2	Low	56 Å²	56	89 Å²	89	25%	0.246	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-105.2	108.9	175.7	-171.9	-109.7	0	0	0	111.1	W429 S450 S451 D455 F462	W429-F453 AromaticContact CD2-CD2 3.75Å; W429-F453 HydrophobicContact CD2-CD2 3.75Å; W429-F453 AromaticContact CE2-CD2 3.35Å; W429-F453 AromaticContact CE2-CE2 3.78Å; W429-F453 HydrophobicContact CE3-CB 4.2Å; W429-F453 HydrophobicContact CE3-CD2 4.15Å; W429-F453 HydrophobicContact CG-CD2 4.33Å; W429-F453 HydrophobicContact CH2-CB 4.11Å; W429-F453 AromaticContact CH2-CD2 3.85Å; W429-F453 HydrophobicContact CH2-CD2 3.85Å; W429-F453 HydrophobicContact CH2-CG 4.24Å; W429-F453 AromaticContact CZ2-CD2 3.42Å; W429-F453 HydrophobicContact CZ2-CD2 3.42Å; W429-F453 VanDerWaalsContact CZ2-CD2 3.42Å; W429-F453 AromaticContact CZ2-CE2 3.87Å; W429-F453 HydrophobicContact CZ2-CE2 3.87Å; W429-F453 HydrophobicContact CZ2-CG 4.22Å; W429-F453 HydrophobicContact CZ3-CB 3.93Å; W429-F453 HydrophobicContact CZ3-CD2 4.2Å; W429-F453 HydrophobicContact CZ3-CG 4.48Å; W429-F453 AromaticContact NE1-CD2 3.69Å; W429-F453 AromaticContact NE1-CE2 3.7Å; S450-F453 PolarHBondContact O-N 3.24Å; S451-F453 PolarHBondContact O-N 3.26Å; F453-D455 PolarHBondContact O-N 3.25Å; F453-F462 HydrophobicContact CE2-CE1 4.14Å; F453-F462 AromaticContact CE2-CZ 3.9Å; F453-F462 HydrophobicContact CE2-CZ 3.9Å; F453-F462 HydrophobicContact CZ-CZ 4.05Å
454	L	61.3	Low	64.9	Low	65 Å²	65	82.1 Å²	82.1	34%	0.34	43%	0.432	S	S	.	.			trans	-72.9	113.7	164.9	-92.8	95	0	0	0	108.7	S428 Q430 N456	S428-L454 PolarHBondContact O-N 2.87Å; Q430-L454 HydrophobicContact CG-CD1 3.72Å; L454-N456 PolarHBondContact O-N 3.26Å
455	D	59.1	Low	65	Low	111 Å²	111	80.7 Å²	80.7	59%	0.594	42%	0.421	S	S	*	.	S	Bend	trans	-54.3	-6.5	174.4	-103.1	-12.7	0	0	0	114.8	F453 A457	F453-D455 PolarHBondContact O-N 3.25Å; D455-A457 PolarHBondContact O-N 2.93Å
456	N	54.8	Low	65	Low	114 Å²	114	74.1 Å²	74.1	61%	0.61	39%	0.391	S	S	*	.			trans	-79.8	56	173.8	-72.1	-19.5	0	0	0	112.2	S428 L454 R458	S428-N456 PolarHBondContact OG-O 2.7Å; L454-N456 PolarHBondContact O-N 3.26Å; N456-R458 VanDerWaalsContact C-N 3.35Å; N456-R458 PolarHBondContact O-N 2.9Å
457	A	52.1	Low	65.2	Low	50 Å²	50	78 Å²	78	41%	0.413	42%	0.417	S	S	.	.			trans	-66.5	88	174.2	0	0	0	0	0	111.2	D455 I459 F462	D455-A457 PolarHBondContact O-N 2.93Å; A457-I459 PolarHBondContact O-N 3.16Å; A457-I459 VanDerWaalsContact O-N 3.15Å; A457-F462 HydrophobicContact CB-CE1 3.82Å; A457-F462 HydrophobicContact CB-CZ 3.56Å
458	R	52.3	Low	65.6	Low	181 Å²	181	74.8 Å²	74.8	68%	0.683	40%	0.404	S	S	*	.			trans	-79.5	93.3	172.5	-66.2	-175.4	-170.8	-173.8	3.7	109.9	N456 V460	N456-R458 VanDerWaalsContact C-N 3.35Å; N456-R458 PolarHBondContact O-N 2.9Å; R458-V460 PolarHBondContact O-N 3.15Å
459	I	51	Low	66.2	Low	169 Å²	169	77.4 Å²	77.4	87%	0.867	42%	0.418	S	S	*	.	S	Bend	trans	41.1	-12.7	150.4	-60.4	175.2	0	0	0	121.1	A457	A457-I459 PolarHBondContact O-N 3.16Å; A457-I459 VanDerWaalsContact O-N 3.15Å
460	V	51	Low	66.9	Low	31 Å²	31	76.6 Å²	76.6	19%	0.188	41%	0.414	C	S	.	.	S	Bend	trans	-110.1	130	175.5	-179.9	0	0	0	0	109.7	N415 F422 F425 R458 F462	N415-V460 HydrophobicContact CB-CG1 3.97Å; F422-V460 HydrophobicContact CE2-CG1 4.31Å; F425-V460 HydrophobicContact CD2-CB 3.97Å; F425-V460 HydrophobicContact CD2-CG2 3.66Å; F425-V460 HydrophobicContact CE2-CB 4.26Å; F425-V460 HydrophobicContact CE2-CG2 3.44Å; F425-V460 VanDerWaalsContact CE2-CG2 3.44Å; R458-V460 PolarHBondContact O-N 3.15Å; V460-F462 PolarHBondContact O-N 2.97Å
461	F	57.2	Low	67.9	Low	44 Å²	44	75.5 Å²	75.5	19%	0.193	40%	0.403	C	S	.	.			trans	-47	127.4	-177.1	-86.3	-97.8	0	0	0	111.3	I413 N415 K463 F474 F478	I413-F461 HydrophobicContact CG2-CD2 4.15Å; I413-F461 HydrophobicContact CG2-CE2 3.96Å; I413-F461 WeakPolarHBondContact O-CD2 3.26Å; N415-F461 HydrophobicContact CB-CB 4.28Å; N415-F461 PolarHBondContact ND2-O 3.31Å; F461-K463 PolarHBondContact O-N 2.88Å; F461-F474 HydrophobicContact CD1-CE1 4.3Å; F461-F474 HydrophobicContact CE1-CE1 4.22Å; F461-F478 AromaticContact CE1-CD1 3.75Å; F461-F478 HydrophobicContact CE1-CD1 3.75Å; F461-F478 HydrophobicContact CE1-CD2 4.25Å; F461-F478 AromaticContact CE1-CE1 3.83Å; F461-F478 HydrophobicContact CE1-CE1 3.83Å; F461-F478 HydrophobicContact CE1-CE2 4.32Å; F461-F478 AromaticContact CE1-CG 4Å; F461-F478 HydrophobicContact CE1-CG 4Å; F461-F478 HydrophobicContact CE1-CZ 4.15Å; F461-F478 HydrophobicContact CE2-CE1 4.04Å; F461-F478 HydrophobicContact CE2-CZ 4.01Å; F461-F478 AromaticContact CZ-CD1 3.68Å; F461-F478 HydrophobicContact CZ-CD1 3.68Å; F461-F478 HydrophobicContact CZ-CD2 4.02Å; F461-F478 AromaticContact CZ-CE1 3.25Å; F461-F478 HydrophobicContact CZ-CE1 3.25Å; F461-F478 AromaticContact CZ-CE2 3.63Å; F461-F478 HydrophobicContact CZ-CE2 3.63Å; F461-F478 HydrophobicContact CZ-CG 4.06Å; F461-F478 AromaticContact CZ-CZ 3.26Å; F461-F478 HydrophobicContact CZ-CZ 3.26Å
462	F	61	Low	69.2	Low	49 Å²	49	73.7 Å²	73.7	22%	0.215	39%	0.385	C	S	.	.			trans	-60.1	124.7	-165.8	-51.8	-84.7	0	0	0	111.5	S428 F453 A457 V460 V464 W465	S428-F462 WeakPolarHBondContact OG-CE1 3.11Å; F453-F462 HydrophobicContact CE2-CE1 4.14Å; F453-F462 AromaticContact CE2-CZ 3.9Å; F453-F462 HydrophobicContact CE2-CZ 3.9Å; F453-F462 HydrophobicContact CZ-CZ 4.05Å; A457-F462 HydrophobicContact CB-CE1 3.82Å; A457-F462 HydrophobicContact CB-CZ 3.56Å; V460-F462 PolarHBondContact O-N 2.97Å; F462-V464 PolarHBondContact O-N 2.99Å; F462-W465 AromaticContact CD2-NE1 3.59Å; F462-W465 PolarHBondContact O-N 3.22Å; F462-W465 VanDerWaalsContact O-N 3.17Å
463	K	65.3	Low	70.7	Confident	84 Å²	84	79.3 Å²	79.3	37%	0.365	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-41.4	-41	175.5	178	-169.8	-179.5	-175.1	0	114	N423 F461 W465 N466	N423-K463 HydrophobicContact CB-CD 3.81Å; N423-K463 PolarHBondContact ND2-NZ 3.02Å; N423-K463 VanDerWaalsContact ND2-NZ 3.11Å; F461-K463 PolarHBondContact O-N 2.88Å; K463-W465 PolarHBondContact O-N 3.3Å; K463-N466 PolarHBondContact O-N 3.33Å
464	V	74.7	Confident	71.7	Confident	50 Å²	50	80.2 Å²	80.2	30%	0.303	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-64.2	-28.3	-170.5	175.1	0	0	0	0	112.6	S427 W429 F462 N466 V467 A468	S427-V464 WeakPolarHBondContact OG-CG2 3.31Å; W429-V464 HydrophobicContact CB-CB 4.41Å; W429-V464 HydrophobicContact CB-CG2 4.01Å; F462-V464 PolarHBondContact O-N 2.99Å; V464-N466 PolarHBondContact O-N 3.11Å; V464-V467 PolarHBondContact O-N 3.27Å; V464-V467 VanDerWaalsContact O-N 3.11Å; V464-A468 PolarHBondContact O-N 2.9Å
465	W	81.6	Confident	73.1	Confident	51 Å²	51	77.9 Å²	77.9	19%	0.193	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25.7	179.3	-66.4	114.7	0	0	0	113.1	W429 F462 K463 V467 A468 N470 K471 F474	W429-W465 HydrophobicContact CZ2-CZ2 4.49Å; F462-W465 AromaticContact CD2-NE1 3.59Å; F462-W465 PolarHBondContact O-N 3.22Å; F462-W465 VanDerWaalsContact O-N 3.17Å; K463-W465 PolarHBondContact O-N 3.3Å; W465-V467 PolarHBondContact O-N 3.26Å; W465-A468 HydrophobicContact CE3-CB 4.11Å; W465-A468 PolarHBondContact O-N 3.16Å; W465-N470 WeakPolarHBondContact CZ3-OD1 3.14Å; W465-K471 WeakPolarHBondContact O-CB 3.35Å; W465-K471 VanDerWaalsContact O-CG 3.24Å; W465-K471 WeakPolarHBondContact O-CG 3.35Å; W465-F474 HydrophobicContact CD2-CD1 4.05Å; W465-F474 HydrophobicContact CD2-CG 4.33Å; W465-F474 HydrophobicContact CE3-CB 4.24Å; W465-F474 HydrophobicContact CE3-CD1 4.5Å; W465-F474 HydrophobicContact CE3-CG 4.43Å; W465-F474 HydrophobicContact CG-CD1 4.27Å; W465-F474 HydrophobicContact CH2-CB 4.41Å; W465-F474 HydrophobicContact CH2-CD2 4.39Å; W465-F474 HydrophobicContact CH2-CG 4.32Å; W465-F474 HydrophobicContact CZ2-CD1 4.47Å; W465-F474 HydrophobicContact CZ2-CD2 4.19Å; W465-F474 HydrophobicContact CZ2-CE2 4.42Å; W465-F474 HydrophobicContact CZ2-CG 4.22Å; W465-F474 HydrophobicContact CZ3-CB 4.13Å; W465-F474 HydrophobicContact CZ3-CG 4.41Å; W465-F474 AromaticContact NE1-CE1 3.92Å
466	N	82.5	Confident	74.6	Confident	36 Å²	36	75.1 Å²	75.1	19%	0.193	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-70.3	-21.1	178.9	-157.8	19.7	0	0	0	113.4	A419 S421 K463 V464 K471	A419-N466 PolarHBondContact O-ND2 3.41Å; S421-N466 PolarHBondContact N-ND2 2.87Å; S421-N466 WeakPolarHBondContact OG-CB 3.43Å; S421-N466 PolarHBondContact OG-ND2 3.33Å; K463-N466 PolarHBondContact O-N 3.33Å; V464-N466 PolarHBondContact O-N 3.11Å; N466-K471 PolarHBondContact OD1-NZ 3.37Å
467	V	82.8	Confident	76.4	Confident	134 Å²	134	71.9 Å²	71.9	81%	0.812	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-15.1	177.5	-173.3	0	0	0	0	111.3	V464 W465	V464-V467 PolarHBondContact O-N 3.27Å; V464-V467 VanDerWaalsContact O-N 3.11Å; W465-V467 PolarHBondContact O-N 3.26Å
468	A	85.9	Confident	78.2	Confident	29 Å²	29	71.4 Å²	71.4	24%	0.24	37%	0.367	C	S	.	.			trans	-76.9	138.1	-174.6	0	0	0	0	0	112.6	V464 W465 N470 K471	V464-A468 PolarHBondContact O-N 2.9Å; W465-A468 HydrophobicContact CE3-CB 4.11Å; W465-A468 PolarHBondContact O-N 3.16Å; A468-N470 WeakPolarHBondContact CB-OD1 3.47Å; A468-N470 PolarHBondContact O-N 3.19Å; A468-K471 WeakPolarHBondContact O-CB 3.49Å; A468-K471 PolarHBondContact O-N 3.16Å
469	V	88.2	Confident	80.2	Confident	118 Å²	118	63 Å²	63	72%	0.715	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-30.6	177.1	-178.5	0	0	0	0	111.9	K471	V469-K471 VanDerWaalsContact C-N 3.35Å
470	N	89.2	Confident	82.2	Confident	80 Å²	80	58.1 Å²	58.1	43%	0.428	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	14.9	-180	63.7	-12.9	0	0	0	114.1	W465 A468 L472 N473 F474	W465-N470 WeakPolarHBondContact CZ3-OD1 3.14Å; A468-N470 WeakPolarHBondContact CB-OD1 3.47Å; A468-N470 PolarHBondContact O-N 3.19Å; N470-L472 VanDerWaalsContact C-N 3.29Å; N470-L472 PolarHBondContact O-N 3.48Å; N470-N473 PolarHBondContact O-N 3.42Å; N470-F474 PolarHBondContact O-N 2.71Å
471	K	88.3	Confident	84.3	Confident	22 Å²	22	57.9 Å²	57.9	10%	0.096	31%	0.306	C	S	.	.	H	α-helix	trans	-45.6	-51.6	174.5	-179	-173.9	174	-175.9	0	112.3	W465 N466 A468 V469 N473 F474 L475 E701	W465-K471 WeakPolarHBondContact O-CB 3.35Å; W465-K471 VanDerWaalsContact O-CG 3.24Å; W465-K471 WeakPolarHBondContact O-CG 3.35Å; N466-K471 PolarHBondContact OD1-NZ 3.37Å; A468-K471 WeakPolarHBondContact O-CB 3.49Å; A468-K471 PolarHBondContact O-N 3.16Å; V469-K471 VanDerWaalsContact C-N 3.35Å; K471-N473 VanDerWaalsContact C-N 3.35Å; K471-N473 PolarHBondContact O-N 3.3Å; K471-F474 PolarHBondContact O-N 3.36Å; K471-L475 WeakPolarHBondContact O-CB 3.38Å; K471-L475 PolarHBondContact O-N 2.9Å; K471-E701 IonicContact NZ-OE2 2.74Å; K471-E701 PolarHBondContact NZ-OE2 3.4Å
472	L	89	Confident	86	Confident	72 Å²	72	57.6 Å²	57.6	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-38.9	-172.7	-169.8	64.7	0	0	0	111.9	N470 N476 L694	N470-L472 VanDerWaalsContact C-N 3.29Å; N470-L472 PolarHBondContact O-N 3.48Å; L472-N476 WeakPolarHBondContact O-CB 3.34Å; L472-N476 PolarHBondContact O-N 3.03Å; L472-L694 HydrophobicContact CD1-CD1 3.91Å; L472-L694 HydrophobicContact CD1-CD2 4.18Å; L472-L694 HydrophobicContact CD1-CG 4.1Å
473	N	90.9	Very high	87.6	Confident	120 Å²	120	55.3 Å²	55.3	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-65.2	-43	179.4	-71.2	-14	0	0	0	111.7	N470 K471 S477	N470-N473 PolarHBondContact O-N 3.42Å; K471-N473 VanDerWaalsContact C-N 3.35Å; K471-N473 PolarHBondContact O-N 3.3Å; N473-S477 PolarHBondContact O-N 3.16Å
474	F	88.5	Confident	89	Confident	74 Å²	74	52.7 Å²	52.7	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-51.3	176.3	175.9	-102.1	0	0	0	111.5	F461 W465 N470 K471 N476 S477 F478	F461-F474 HydrophobicContact CD1-CE1 4.3Å; F461-F474 HydrophobicContact CE1-CE1 4.22Å; W465-F474 HydrophobicContact CD2-CD1 4.05Å; W465-F474 HydrophobicContact CD2-CG 4.33Å; W465-F474 HydrophobicContact CE3-CB 4.24Å; W465-F474 HydrophobicContact CE3-CD1 4.5Å; W465-F474 HydrophobicContact CE3-CG 4.43Å; W465-F474 HydrophobicContact CG-CD1 4.27Å; W465-F474 HydrophobicContact CH2-CB 4.41Å; W465-F474 HydrophobicContact CH2-CD2 4.39Å; W465-F474 HydrophobicContact CH2-CG 4.32Å; W465-F474 HydrophobicContact CZ2-CD1 4.47Å; W465-F474 HydrophobicContact CZ2-CD2 4.19Å; W465-F474 HydrophobicContact CZ2-CE2 4.42Å; W465-F474 HydrophobicContact CZ2-CG 4.22Å; W465-F474 HydrophobicContact CZ3-CB 4.13Å; W465-F474 HydrophobicContact CZ3-CG 4.41Å; W465-F474 AromaticContact NE1-CE1 3.92Å; N470-F474 PolarHBondContact O-N 2.71Å; K471-F474 PolarHBondContact O-N 3.36Å; F474-N476 VanDerWaalsContact C-N 3.32Å; F474-N476 PolarHBondContact O-N 3.09Å; F474-S477 PolarHBondContact O-N 3.18Å; F474-F478 PolarHBondContact O-N 3.21Å
475	L	89.1	Confident	90	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-38.7	-176.7	-167.6	66.5	0	0	0	112	K471 F478 K479	K471-L475 WeakPolarHBondContact O-CB 3.38Å; K471-L475 PolarHBondContact O-N 2.9Å; L475-F478 PolarHBondContact O-N 2.97Å; L475-K479 HydrophobicContact CD1-CD 4.23Å; L475-K479 HydrophobicContact CD1-CG 4.17Å; L475-K479 HydrophobicContact CD2-CD 4.41Å; L475-K479 HydrophobicContact CG-CD 3.98Å; L475-K479 HydrophobicContact CG-CG 4.19Å; L475-K479 WeakPolarHBondContact O-CB 3.1Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; L475-K479 PolarHBondContact O-N 3.47Å
476	N	92.3	Very high	90.6	Very high	52 Å²	52	51.7 Å²	51.7	28%	0.278	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-51.7	175.8	-176.9	-1.6	0	0	0	110.9	L472 F474 F478 K479 M480 W690 L694	L472-N476 WeakPolarHBondContact O-CB 3.34Å; L472-N476 PolarHBondContact O-N 3.03Å; F474-N476 VanDerWaalsContact C-N 3.32Å; F474-N476 PolarHBondContact O-N 3.09Å; N476-F478 VanDerWaalsContact C-N 3.29Å; N476-F478 PolarHBondContact O-N 3.28Å; N476-K479 PolarHBondContact O-N 2.82Å; N476-M480 VanDerWaalsContact O-CB 3.22Å; N476-M480 WeakPolarHBondContact O-CB 3.44Å; N476-M480 PolarHBondContact O-N 2.82Å; N476-W690 WeakPolarHBondContact OD1-CZ2 3.39Å; N476-W690 PolarHBondContact OD1-NE1 3.15Å; N476-L694 HydrophobicContact CB-CD1 4.29Å
477	S	91.6	Very high	91.2	Very high	46 Å²	46	50 Å²	50	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-40.6	178.3	-164.3	0	0	0	0	112.4	N473 F474 K481	N473-S477 PolarHBondContact O-N 3.16Å; F474-S477 PolarHBondContact O-N 3.18Å; S477-K481 WeakPolarHBondContact O-CB 3.23Å; S477-K481 WeakPolarHBondContact O-CD 3.38Å; S477-K481 VanDerWaalsContact O-CG 3.27Å; S477-K481 WeakPolarHBondContact O-CG 3.24Å; S477-K481 PolarHBondContact O-N 2.72Å; S477-K481 PolarHBondContact OG-NZ 3.49Å
478	F	90.7	Very high	91.7	Very high	41 Å²	41	43.8 Å²	43.8	18%	0.18	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-56.3	178.5	173.4	-101.4	0	0	0	112.1	Y414 F461 F474 L475 N476 M480 K481 M482 W533	Y414-F478 HydrophobicContact CE1-CE1 4.46Å; F461-F478 AromaticContact CE1-CD1 3.75Å; F461-F478 HydrophobicContact CE1-CD1 3.75Å; F461-F478 HydrophobicContact CE1-CD2 4.25Å; F461-F478 AromaticContact CE1-CE1 3.83Å; F461-F478 HydrophobicContact CE1-CE1 3.83Å; F461-F478 HydrophobicContact CE1-CE2 4.32Å; F461-F478 AromaticContact CE1-CG 4Å; F461-F478 HydrophobicContact CE1-CG 4Å; F461-F478 HydrophobicContact CE1-CZ 4.15Å; F461-F478 HydrophobicContact CE2-CE1 4.04Å; F461-F478 HydrophobicContact CE2-CZ 4.01Å; F461-F478 AromaticContact CZ-CD1 3.68Å; F461-F478 HydrophobicContact CZ-CD1 3.68Å; F461-F478 HydrophobicContact CZ-CD2 4.02Å; F461-F478 AromaticContact CZ-CE1 3.25Å; F461-F478 HydrophobicContact CZ-CE1 3.25Å; F461-F478 AromaticContact CZ-CE2 3.63Å; F461-F478 HydrophobicContact CZ-CE2 3.63Å; F461-F478 HydrophobicContact CZ-CG 4.06Å; F461-F478 AromaticContact CZ-CZ 3.26Å; F461-F478 HydrophobicContact CZ-CZ 3.26Å; F474-F478 PolarHBondContact O-N 3.21Å; L475-F478 PolarHBondContact O-N 2.97Å; N476-F478 VanDerWaalsContact C-N 3.29Å; N476-F478 PolarHBondContact O-N 3.28Å; F478-M480 VanDerWaalsContact C-N 3.33Å; F478-M480 PolarHBondContact O-N 3.2Å; F478-K481 PolarHBondContact O-N 3.14Å; F478-M482 HydrophobicContact CE1-SD 3.84Å; F478-M482 HydrophobicContact CZ-CB 4.31Å; F478-M482 HydrophobicContact CZ-SD 3.89Å; F478-M482 WeakPolarHBondContact O-CB 3.31Å; F478-M482 PolarHBondContact O-N 2.96Å; F478-W533 HydrophobicContact CD2-CZ2 4.29Å; F478-W533 HydrophobicContact CE2-CH2 4.47Å
479	K	92.8	Very high	92.1	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-38.4	-176.6	-73	-170.2	176.5	-172.5	0	111.6	L475 N476 M482 S483 W690 S693	L475-K479 HydrophobicContact CD1-CD 4.23Å; L475-K479 HydrophobicContact CD1-CG 4.17Å; L475-K479 HydrophobicContact CD2-CD 4.41Å; L475-K479 HydrophobicContact CG-CD 3.98Å; L475-K479 HydrophobicContact CG-CG 4.19Å; L475-K479 WeakPolarHBondContact O-CB 3.1Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; L475-K479 PolarHBondContact O-N 3.47Å; N476-K479 PolarHBondContact O-N 2.82Å; K479-M482 PolarHBondContact O-N 3.11Å; K479-S483 WeakPolarHBondContact O-CB 3.22Å; K479-S483 PolarHBondContact O-N 3.3Å; K479-W690 HydrophobicContact CB-CB 4.37Å; K479-W690 HydrophobicContact CB-CG 4.26Å; K479-S693 WeakPolarHBondContact CE-OG 3.21Å; K479-S693 PolarHBondContact NZ-O 3.41Å; K479-S693 PolarHBondContact NZ-OG 2.67Å
480	M	93.7	Very high	92.4	Very high	66 Å²	66	44 Å²	44	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-49.5	174.8	-174.3	-174.5	68.3	0	0	111.4	N476 F478 M482 S483 I484 L687 W690	N476-M480 VanDerWaalsContact O-CB 3.22Å; N476-M480 WeakPolarHBondContact O-CB 3.44Å; N476-M480 PolarHBondContact O-N 2.82Å; F478-M480 VanDerWaalsContact C-N 3.33Å; F478-M480 PolarHBondContact O-N 3.2Å; M480-M482 PolarHBondContact O-N 3.31Å; M480-S483 PolarHBondContact O-N 2.91Å; M480-S483 PolarHBondContact O-OG 3.34Å; M480-I484 PolarHBondContact O-N 2.85Å; M480-L687 HydrophobicContact CG-CD2 3.83Å; M480-W690 HydrophobicContact CB-CD2 3.97Å; M480-W690 HydrophobicContact CB-CE3 4.29Å; M480-W690 HydrophobicContact CB-CG 4.11Å; M480-W690 HydrophobicContact CG-CD2 4.31Å; M480-W690 HydrophobicContact CG-CE3 4.11Å; M480-W690 HydrophobicContact CG-CZ3 4.49Å
481	K	94.4	Very high	92.5	Very high	26 Å²	26	40.2 Å²	40.2	11%	0.113	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178.2	-73.6	168.6	-175.9	164	0	112.4	S477 F478 S483 I484 I485 I529 W533	S477-K481 WeakPolarHBondContact O-CB 3.23Å; S477-K481 WeakPolarHBondContact O-CD 3.38Å; S477-K481 VanDerWaalsContact O-CG 3.27Å; S477-K481 WeakPolarHBondContact O-CG 3.24Å; S477-K481 PolarHBondContact O-N 2.72Å; S477-K481 PolarHBondContact OG-NZ 3.49Å; F478-K481 PolarHBondContact O-N 3.14Å; K481-S483 VanDerWaalsContact C-N 3.33Å; K481-S483 PolarHBondContact O-N 3.28Å; K481-I484 PolarHBondContact O-N 3.08Å; K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 2.92Å; K481-I485 VanDerWaalsContact O-N 3.1Å; K481-I529 HydrophobicContact CB-CG2 4Å; K481-I529 HydrophobicContact CD-CG2 4.09Å; K481-I529 HydrophobicContact CG-CG2 4.09Å; K481-W533 HydrophobicContact CB-CH2 4.22Å; K481-W533 HydrophobicContact CB-CZ2 3.78Å; K481-W533 HydrophobicContact CD-CZ2 3.82Å; K481-W533 HydrophobicContact CG-CZ2 4.46Å
482	M	93.3	Very high	92.7	Very high	37 Å²	37	40.3 Å²	40.3	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-43.6	175.5	-179	-174.8	177.8	0	0	111.4	V355 Y414 F478 K479 M480 I484 I485 L486	V355-M482 HydrophobicContact CG1-CE 4.43Å; V355-M482 HydrophobicContact CG2-CE 4.19Å; Y414-M482 HydrophobicContact CE1-SD 4.2Å; F478-M482 HydrophobicContact CE1-SD 3.84Å; F478-M482 HydrophobicContact CZ-CB 4.31Å; F478-M482 HydrophobicContact CZ-SD 3.89Å; F478-M482 WeakPolarHBondContact O-CB 3.31Å; F478-M482 PolarHBondContact O-N 2.96Å; K479-M482 PolarHBondContact O-N 3.11Å; M480-M482 PolarHBondContact O-N 3.31Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.34Å; M482-I485 PolarHBondContact O-N 3.42Å; M482-L486 HydrophobicContact CE-CD1 3.9Å; M482-L486 HydrophobicContact CG-CD1 4.11Å; M482-L486 HydrophobicContact CG-CG 4.45Å; M482-L486 WeakPolarHBondContact O-CG 3.3Å; M482-L486 PolarHBondContact O-N 3.17Å
483	S	95.3	Very high	92.8	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-40.5	179.1	70.8	0	0	0	0	113	K479 M480 K481 G487	K479-S483 WeakPolarHBondContact O-CB 3.22Å; K479-S483 PolarHBondContact O-N 3.3Å; M480-S483 PolarHBondContact O-N 2.91Å; M480-S483 PolarHBondContact O-OG 3.34Å; K481-S483 VanDerWaalsContact C-N 3.33Å; K481-S483 PolarHBondContact O-N 3.28Å; S483-G487 PolarHBondContact O-N 3.07Å
484	I	94.8	Very high	92.8	Very high	28 Å²	28	34.2 Å²	34.2	14%	0.144	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-45.6	177.1	-64.5	170.1	0	0	0	110.4	M480 K481 M482 L486 G487 V488 L525 I529 L687	M480-I484 PolarHBondContact O-N 2.85Å; K481-I484 PolarHBondContact O-N 3.08Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.34Å; I484-L486 PolarHBondContact O-N 3.07Å; I484-G487 PolarHBondContact O-N 3.13Å; I484-V488 HydrophobicContact CG2-CG2 4.22Å; I484-V488 WeakPolarHBondContact O-CG2 3.32Å; I484-V488 PolarHBondContact O-N 3.23Å; I484-L525 HydrophobicContact CG2-CD2 4.12Å; I484-I529 HydrophobicContact CG2-CD1 4.28Å; I484-L687 HydrophobicContact CD1-CD2 4.29Å; I484-L687 HydrophobicContact CG1-CD2 4.09Å
485	I	95.2	Very high	92.8	Very high	44 Å²	44	30.7 Å²	30.7	23%	0.226	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-47.6	179.5	-68	168.5	0	0	0	110.7	K481 M482 G487 F489 I529 W533	K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 2.92Å; K481-I485 VanDerWaalsContact O-N 3.1Å; M482-I485 PolarHBondContact O-N 3.42Å; I485-G487 PolarHBondContact O-N 3.2Å; I485-F489 VanDerWaalsContact O-CB 3.26Å; I485-F489 WeakPolarHBondContact O-CB 3.47Å; I485-F489 PolarHBondContact O-N 3Å; I485-I529 HydrophobicContact CD1-CB 4.48Å; I485-I529 HydrophobicContact CD1-CG2 3.84Å; I485-I529 HydrophobicContact CG1-CD1 4.32Å; I485-W533 HydrophobicContact CD1-CH2 3.9Å; I485-W533 HydrophobicContact CD1-CZ3 3.79Å
486	L	94.7	Very high	92.9	Very high	36 Å²	36	32.6 Å²	32.6	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.4	-71.5	179.9	0	0	0	111.9	F351 V355 M482 I484 F489 Q490 L689	F351-L486 HydrophobicContact CE1-CD1 4.18Å; F351-L486 HydrophobicContact CE1-CD2 3.94Å; F351-L486 HydrophobicContact CZ-CD2 4.36Å; V355-L486 HydrophobicContact CG1-CD1 4.26Å; V355-L486 HydrophobicContact CG2-CD1 3.9Å; M482-L486 HydrophobicContact CE-CD1 3.9Å; M482-L486 HydrophobicContact CG-CD1 4.11Å; M482-L486 HydrophobicContact CG-CG 4.45Å; M482-L486 WeakPolarHBondContact O-CG 3.3Å; M482-L486 PolarHBondContact O-N 3.17Å; I484-L486 PolarHBondContact O-N 3.07Å; L486-F489 PolarHBondContact O-N 3.35Å; L486-Q490 WeakPolarHBondContact O-CB 3.33Å; L486-Q490 PolarHBondContact O-N 2.57Å; L486-L689 HydrophobicContact CB-CD1 4.44Å
487	G	93.9	Very high	92.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-48.8	179.1	0	0	0	0	0	113.5	S483 I484 I485 F489 Q490 M491 Y686	S483-G487 PolarHBondContact O-N 3.07Å; I484-G487 PolarHBondContact O-N 3.13Å; I485-G487 PolarHBondContact O-N 3.2Å; G487-F489 VanDerWaalsContact C-N 3.3Å; G487-F489 PolarHBondContact O-N 3.08Å; G487-Q490 PolarHBondContact O-N 2.86Å; G487-M491 WeakPolarHBondContact O-CB 3.5Å; G487-M491 VanDerWaalsContact O-CG 3.32Å; G487-M491 WeakPolarHBondContact O-CG 3.3Å; G487-M491 PolarHBondContact O-N 2.77Å; G487-Y686 VanDerWaalsContact CA-CD2 3.45Å
488	V	94.2	Very high	92.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.024	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-38.3	177.6	176.1	0	0	0	0	110.6	I484 M491 T492 F522 V523 T683	I484-V488 HydrophobicContact CG2-CG2 4.22Å; I484-V488 WeakPolarHBondContact O-CG2 3.32Å; I484-V488 PolarHBondContact O-N 3.23Å; V488-M491 PolarHBondContact O-N 3.33Å; V488-T492 HydrophobicContact CG1-CG2 4.11Å; V488-T492 WeakPolarHBondContact O-CB 3.46Å; V488-T492 WeakPolarHBondContact O-CG2 3.45Å; V488-T492 PolarHBondContact O-N 3.08Å; V488-T492 PolarHBondContact O-OG1 3.13Å; V488-F522 HydrophobicContact CG1-CB 4.04Å; V488-F522 HydrophobicContact CG2-CB 3.87Å; V488-V523 HydrophobicContact CG1-CG2 3.97Å; V488-T683 HydrophobicContact CG2-CG2 3.94Å
489	F	93.9	Very high	91.8	Very high	141 Å²	141	31 Å²	31	62%	0.618	15%	0.151	S	C	*	.	H	α-helix	trans	-62.1	-46.3	174.7	-176.1	-96.8	0	0	0	112.2	I485 L486 G487 T492 F493	I485-F489 VanDerWaalsContact O-CB 3.26Å; I485-F489 WeakPolarHBondContact O-CB 3.47Å; I485-F489 PolarHBondContact O-N 3Å; L486-F489 PolarHBondContact O-N 3.35Å; G487-F489 VanDerWaalsContact C-N 3.3Å; G487-F489 PolarHBondContact O-N 3.08Å; F489-T492 WeakPolarHBondContact CA-OG1 3.33Å; F489-T492 PolarHBondContact O-OG1 3.01Å; F489-F493 VanDerWaalsContact O-CB 3.29Å; F489-F493 WeakPolarHBondContact O-CB 3.39Å; F489-F493 PolarHBondContact O-N 2.74Å
490	Q	94	Very high	90.9	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-42.6	177.2	-176.4	179.3	8.4	0	0	112.3	L486 G487 F493 G494 Y686 F758	L486-Q490 WeakPolarHBondContact O-CB 3.33Å; L486-Q490 PolarHBondContact O-N 2.57Å; G487-Q490 PolarHBondContact O-N 2.86Å; Q490-F493 PolarHBondContact O-N 2.92Å; Q490-G494 PolarHBondContact O-N 3.21Å; Q490-Y686 VanDerWaalsContact CD-OH 3.22Å; Q490-Y686 PolarHBondContact OE1-OH 3.1Å; Q490-F758 HydrophobicContact CG-CB 4.34Å; Q490-F758 HydrophobicContact CG-CD2 3.7Å; Q490-F758 HydrophobicContact CG-CE2 4.37Å; Q490-F758 HydrophobicContact CG-CG 4.26Å
491	M	92.2	Very high	89.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-44.9	178.2	-72.4	176.1	63.7	0	0	112.2	G487 V488 F493 G494 V495 L518 H682 Y686	G487-M491 WeakPolarHBondContact O-CB 3.5Å; G487-M491 VanDerWaalsContact O-CG 3.32Å; G487-M491 WeakPolarHBondContact O-CG 3.3Å; G487-M491 PolarHBondContact O-N 2.77Å; V488-M491 PolarHBondContact O-N 3.33Å; M491-F493 VanDerWaalsContact C-N 3.31Å; M491-F493 PolarHBondContact O-N 2.64Å; M491-G494 PolarHBondContact O-N 2.81Å; M491-V495 WeakPolarHBondContact O-CG2 3.49Å; M491-V495 PolarHBondContact O-N 3.15Å; M491-L518 HydrophobicContact CB-CD2 4.45Å; M491-L518 HydrophobicContact CE-CD1 4.26Å; M491-H682 HydrophobicContact CE-CB 3.6Å; M491-H682 HydrophobicContact SD-CB 3.74Å; M491-Y686 HydrophobicContact CG-CE2 3.6Å; M491-Y686 HydrophobicContact SD-CD2 4.07Å; M491-Y686 HydrophobicContact SD-CE2 3.62Å
492	T	91.7	Very high	87.8	Confident	24 Å²	24	38.1 Å²	38.1	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-41.7	176.1	50.3	0	0	0	0	110.7	V488 F489 G494 V495 V496 L518 V523	V488-T492 HydrophobicContact CG1-CG2 4.11Å; V488-T492 WeakPolarHBondContact O-CB 3.46Å; V488-T492 WeakPolarHBondContact O-CG2 3.45Å; V488-T492 PolarHBondContact O-N 3.08Å; V488-T492 PolarHBondContact O-OG1 3.13Å; F489-T492 WeakPolarHBondContact CA-OG1 3.33Å; F489-T492 PolarHBondContact O-OG1 3.01Å; T492-G494 PolarHBondContact O-N 2.98Å; T492-V495 PolarHBondContact O-N 3.15Å; T492-V496 VanDerWaalsContact O-CG2 3.3Å; T492-V496 WeakPolarHBondContact O-CG2 3.47Å; T492-V496 PolarHBondContact O-N 3.44Å; T492-L518 HydrophobicContact CG2-CD2 3.4Å; T492-L518 VanDerWaalsContact CG2-CD2 3.4Å; T492-L518 HydrophobicContact CG2-CG 3.87Å; T492-V523 HydrophobicContact CG2-CG2 3.64Å
493	F	92.1	Very high	86.6	Confident	65 Å²	65	40.2 Å²	40.2	29%	0.285	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-44.4	173.6	-179.3	-116.3	0	0	0	112.3	Y344 F489 Q490 M491 V495 V496 L497 F758	Y344-F493 AromaticContact CD1-CE1 3.66Å; Y344-F493 HydrophobicContact CD1-CE1 3.66Å; Y344-F493 AromaticContact CD1-CZ 3.58Å; Y344-F493 HydrophobicContact CD1-CZ 3.58Å; Y344-F493 HydrophobicContact CD2-CE1 4.49Å; Y344-F493 HydrophobicContact CE1-CE1 4.11Å; Y344-F493 AromaticContact CE1-CZ 3.58Å; Y344-F493 HydrophobicContact CE1-CZ 3.58Å; Y344-F493 AromaticContact CG-CE1 3.88Å; Y344-F493 HydrophobicContact CG-CE1 3.88Å; Y344-F493 HydrophobicContact CG-CZ 4.22Å; F489-F493 VanDerWaalsContact O-CB 3.29Å; F489-F493 WeakPolarHBondContact O-CB 3.39Å; F489-F493 PolarHBondContact O-N 2.74Å; Q490-F493 PolarHBondContact O-N 2.92Å; M491-F493 VanDerWaalsContact C-N 3.31Å; M491-F493 PolarHBondContact O-N 2.64Å; F493-V495 PolarHBondContact O-N 2.94Å; F493-V496 WeakPolarHBondContact O-CB 3.4Å; F493-V496 PolarHBondContact O-N 3Å; F493-L497 HydrophobicContact CD1-CD1 4.4Å; F493-L497 HydrophobicContact CE1-CD1 3.91Å; F493-L497 HydrophobicContact CE1-CG 4.41Å; F493-L497 HydrophobicContact CE2-CD2 4.33Å; F493-L497 HydrophobicContact CE2-CG 4.5Å; F493-L497 HydrophobicContact CZ-CD1 4.15Å; F493-L497 HydrophobicContact CZ-CD2 4.09Å; F493-L497 HydrophobicContact CZ-CG 4.25Å; F493-L497 WeakPolarHBondContact O-CG 3.39Å; F493-L497 PolarHBondContact O-N 3.24Å; F493-F758 AromaticContact CD1-CE2 3.71Å; F493-F758 HydrophobicContact CD1-CE2 3.71Å; F493-F758 HydrophobicContact CD1-CZ 4.04Å; F493-F758 HydrophobicContact CE1-CE2 4.25Å; F493-F758 HydrophobicContact CE1-CZ 4.1Å
494	G	90.2	Very high	85.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-43.6	174.8	0	0	0	0	0	113.2	Q490 M491 T492 V496 L497 F762	Q490-G494 PolarHBondContact O-N 3.21Å; M491-G494 PolarHBondContact O-N 2.81Å; T492-G494 PolarHBondContact O-N 2.98Å; G494-V496 VanDerWaalsContact C-N 3.34Å; G494-V496 PolarHBondContact O-N 2.66Å; G494-L497 WeakPolarHBondContact O-CB 3.41Å; G494-L497 PolarHBondContact O-N 3.38Å; G494-F762 WeakPolarHBondContact O-CD1 3.41Å
495	V	89.1	Confident	85	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-39	176	175.8	0	0	0	0	111.1	M491 T492 F493 L497 S498 F511 Q514 L515 L518 K761	M491-V495 WeakPolarHBondContact O-CG2 3.49Å; M491-V495 PolarHBondContact O-N 3.15Å; T492-V495 PolarHBondContact O-N 3.15Å; F493-V495 PolarHBondContact O-N 2.94Å; V495-L497 VanDerWaalsContact C-N 3.27Å; V495-L497 PolarHBondContact O-N 3.42Å; V495-S498 WeakPolarHBondContact O-CB 3.46Å; V495-S498 PolarHBondContact O-N 2.77Å; V495-S498 VanDerWaalsContact O-N 3.14Å; V495-S498 PolarHBondContact O-OG 2.84Å; V495-F511 HydrophobicContact CG1-CD2 4.19Å; V495-F511 HydrophobicContact CG1-CE2 4.23Å; V495-F511 WeakPolarHBondContact O-CD2 3.3Å; V495-F511 WeakPolarHBondContact O-CE2 3.33Å; V495-Q514 HydrophobicContact CG1-CB 4.41Å; V495-L515 HydrophobicContact CG1-CB 4.21Å; V495-L515 HydrophobicContact CG1-CD1 4.43Å; V495-L518 HydrophobicContact CG2-CD2 4.14Å; V495-K761 HydrophobicContact CG2-CB 4.12Å; V495-K761 HydrophobicContact CG2-CD 4.07Å; V495-K761 HydrophobicContact CG2-CG 4.12Å
496	V	89.8	Confident	84.3	Confident	57 Å²	57	46.8 Å²	46.8	35%	0.345	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-34.5	175.6	171.4	0	0	0	0	111.9	T492 F493 G494 S498 F499 L515	T492-V496 VanDerWaalsContact O-CG2 3.3Å; T492-V496 WeakPolarHBondContact O-CG2 3.47Å; T492-V496 PolarHBondContact O-N 3.44Å; F493-V496 WeakPolarHBondContact O-CB 3.4Å; F493-V496 PolarHBondContact O-N 3Å; G494-V496 VanDerWaalsContact C-N 3.34Å; G494-V496 PolarHBondContact O-N 2.66Å; V496-S498 PolarHBondContact O-N 3.39Å; V496-F499 WeakPolarHBondContact O-CB 3.31Å; V496-F499 PolarHBondContact O-N 2.78Å; V496-F499 VanDerWaalsContact O-N 3.16Å; V496-L515 HydrophobicContact CG2-CD1 4.48Å
497	L	86.7	Confident	83.8	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-30.8	176.4	-68.9	175.7	0	0	0	113	Y344 F493 G494 V495 F499 F500 F758 F762	Y344-L497 HydrophobicContact CD2-CD1 3.78Å; Y344-L497 HydrophobicContact CE1-CD2 4.43Å; Y344-L497 HydrophobicContact CE2-CD1 3.53Å; Y344-L497 HydrophobicContact CE2-CD2 3.89Å; Y344-L497 HydrophobicContact CE2-CG 4.39Å; Y344-L497 HydrophobicContact CG-CD1 4.49Å; Y344-L497 WeakPolarHBondContact OH-CD2 3.45Å; F493-L497 HydrophobicContact CD1-CD1 4.4Å; F493-L497 HydrophobicContact CE1-CD1 3.91Å; F493-L497 HydrophobicContact CE1-CG 4.41Å; F493-L497 HydrophobicContact CE2-CD2 4.33Å; F493-L497 HydrophobicContact CE2-CG 4.5Å; F493-L497 HydrophobicContact CZ-CD1 4.15Å; F493-L497 HydrophobicContact CZ-CD2 4.09Å; F493-L497 HydrophobicContact CZ-CG 4.25Å; F493-L497 WeakPolarHBondContact O-CG 3.39Å; F493-L497 PolarHBondContact O-N 3.24Å; G494-L497 WeakPolarHBondContact O-CB 3.41Å; G494-L497 PolarHBondContact O-N 3.38Å; V495-L497 VanDerWaalsContact C-N 3.27Å; V495-L497 PolarHBondContact O-N 3.42Å; L497-F499 PolarHBondContact O-N 2.69Å; L497-F500 PolarHBondContact O-N 3.16Å; L497-F758 HydrophobicContact CD1-CE2 4.37Å; L497-F758 HydrophobicContact CD1-CZ 3.88Å; L497-F762 HydrophobicContact CB-CB 4.31Å; L497-F762 HydrophobicContact CB-CD1 4.19Å; L497-F762 HydrophobicContact CB-CD2 4.41Å; L497-F762 HydrophobicContact CB-CG 4.04Å; L497-F762 HydrophobicContact CD1-CD1 4.25Å; L497-F762 HydrophobicContact CD1-CE1 3.91Å; L497-F762 HydrophobicContact CD1-CE2 4.33Å; L497-F762 HydrophobicContact CD1-CZ 3.95Å
498	S	82.8	Confident	83.4	Confident	8 Å²	8	54.2 Å²	54.2	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-20.6	177.3	77.2	0	0	0	0	113.4	V495 V496 F500 N502 F511	V495-S498 WeakPolarHBondContact O-CB 3.46Å; V495-S498 PolarHBondContact O-N 2.77Å; V495-S498 VanDerWaalsContact O-N 3.14Å; V495-S498 PolarHBondContact O-OG 2.84Å; V496-S498 PolarHBondContact O-N 3.39Å; S498-F500 VanDerWaalsContact C-N 3.31Å; S498-F500 PolarHBondContact O-N 3.16Å; S498-N502 WeakPolarHBondContact O-CB 3.43Å; S498-N502 PolarHBondContact O-ND2 2.92Å; S498-N502 VanDerWaalsContact O-ND2 3.13Å; S498-F511 WeakPolarHBondContact OG-CD2 3.39Å
499	F	82.5	Confident	82.8	Confident	93 Å²	93	54 Å²	54	41%	0.408	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.2	175.4	178	-106.2	0	0	0	113	V496 L497 F501 I507 F511	V496-F499 WeakPolarHBondContact O-CB 3.31Å; V496-F499 PolarHBondContact O-N 2.78Å; V496-F499 VanDerWaalsContact O-N 3.16Å; L497-F499 PolarHBondContact O-N 2.69Å; F499-F501 PolarHBondContact O-N 3.29Å; F499-I507 HydrophobicContact CD2-CD1 4.48Å; F499-I507 HydrophobicContact CD2-CG2 4.11Å; F499-I507 HydrophobicContact CE2-CD1 4.35Å; F499-I507 HydrophobicContact CE2-CG2 4.02Å; F499-F511 HydrophobicContact CB-CD1 4.46Å; F499-F511 HydrophobicContact CB-CD2 4.16Å; F499-F511 HydrophobicContact CB-CE1 4.13Å; F499-F511 HydrophobicContact CB-CE2 3.82Å; F499-F511 HydrophobicContact CB-CG 4.46Å; F499-F511 HydrophobicContact CB-CZ 3.79Å; F499-F511 AromaticContact CD2-CD1 3.79Å; F499-F511 HydrophobicContact CD2-CD1 3.79Å; F499-F511 AromaticContact CD2-CE1 3.53Å; F499-F511 HydrophobicContact CD2-CE1 3.53Å; F499-F511 HydrophobicContact CD2-CG 4.47Å; F499-F511 HydrophobicContact CD2-CZ 4.03Å; F499-F511 HydrophobicContact CE2-CE1 4.33Å; F499-F511 HydrophobicContact CG-CE1 4.15Å; F499-F511 HydrophobicContact CG-CZ 4.18Å
500	F	73.5	Confident	82.4	Confident	124 Å²	124	48.4 Å²	48.4	54%	0.544	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8	-168.8	-73.8	-75.6	0	0	0	114.8	R6 L497 S498	R6-F500 PolarHBondContact NH2-O 2.91Å; L497-F500 PolarHBondContact O-N 3.16Å; S498-F500 VanDerWaalsContact C-N 3.31Å; S498-F500 PolarHBondContact O-N 3.16Å
501	F	60.1	Low	82.1	Confident	65 Å²	65	48.8 Å²	48.8	29%	0.285	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-16.2	-167.2	-69.3	-100.5	0	0	0	113.9	R6 R337 V339 F499	R6-F501 VanDerWaalsContact CD-CE1 3.49Å; R6-F501 HydrophobicContact CG-CE1 3.67Å; R6-F501 HydrophobicContact CG-CZ 3.6Å; R6-F501 VanDerWaalsContact NH2-CE2 3.25Å; R337-F501 VanDerWaalsContact O-CD1 3.25Å; R337-F501 WeakPolarHBondContact O-CD1 3.48Å; R337-F501 WeakPolarHBondContact O-CE1 3.42Å; V339-F501 HydrophobicContact CB-CD2 4.42Å; V339-F501 HydrophobicContact CB-CE2 3.98Å; V339-F501 HydrophobicContact CB-CZ 3.96Å; V339-F501 HydrophobicContact CG1-CE2 4.49Å; V339-F501 HydrophobicContact CG2-CD1 4.33Å; V339-F501 HydrophobicContact CG2-CD2 3.12Å; V339-F501 HydrophobicContact CG2-CE1 4.09Å; V339-F501 HydrophobicContact CG2-CE2 2.95Å; V339-F501 HydrophobicContact CG2-CG 3.86Å; V339-F501 HydrophobicContact CG2-CZ 3.39Å; F499-F501 PolarHBondContact O-N 3.29Å
502	N	62.8	Low	82.1	Confident	57 Å²	57	52.4 Å²	52.4	31%	0.305	24%	0.24	S	C	.	.	S	Bend	trans	-77.9	140.4	-175	-86.2	-22.8	0	0	0	112.1	S498 D506 I507	S498-N502 WeakPolarHBondContact O-CB 3.43Å; S498-N502 PolarHBondContact O-ND2 2.92Å; S498-N502 VanDerWaalsContact O-ND2 3.13Å; N502-D506 HydrophobicContact CB-CB 3.77Å; N502-I507 HydrophobicContact CB-CG1 3.91Å; N502-I507 WeakPolarHBondContact O-CD1 3.26Å
503	R	68.5	Low	82.1	Confident	82 Å²	82	51.6 Å²	51.6	31%	0.309	24%	0.235	S	C	.	.			trans	-55.1	151.6	170.1	-67.3	178	176.7	173.6	3.1	108.3	L505 D506 I507 S650 G653 D657	R503-L505 CarbonylContact O-C 3.59Å; R503-L505 PolarHBondContact O-N 2.89Å; R503-D506 PolarHBondContact O-N 3.14Å; R503-I507 PolarHBondContact O-N 3.09Å; R503-S650 PolarHBondContact NH2-OG 3.47Å; R503-G653 PolarHBondContact NH2-O 2.63Å; R503-D657 IonicContact CZ-OD2 3.74Å; R503-D657 IonicContact NH1-OD2 2.72Å; R503-D657 PolarHBondContact NH1-OD2 2.76Å
504	K	77.6	Confident	82	Confident	169 Å²	169	49 Å²	49	74%	0.735	22%	0.224	S	C	*	.	H	α-helix	trans	-47.1	-36	178.6	-67.6	-178	-179.9	176.1	0	112.5	Y508	K504-Y508 WeakPolarHBondContact O-CD2 3.44Å; K504-Y508 PolarHBondContact O-N 3.36Å
505	L	78.9	Confident	82.1	Confident	21 Å²	21	51.3 Å²	51.3	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-47.2	176.8	-171.1	150.2	0	0	0	112.7	R503 I507 Y508 S509 K611 F614 I615	R503-L505 CarbonylContact O-C 3.59Å; R503-L505 PolarHBondContact O-N 2.89Å; L505-I507 VanDerWaalsContact C-N 3.31Å; L505-I507 PolarHBondContact O-N 2.85Å; L505-Y508 PolarHBondContact O-N 2.88Å; L505-S509 VanDerWaalsContact O-CB 3.29Å; L505-S509 WeakPolarHBondContact O-CB 3.3Å; L505-S509 PolarHBondContact O-N 2.95Å; L505-S509 PolarHBondContact O-OG 3.28Å; L505-K611 HydrophobicContact CD2-CB 4.22Å; L505-K611 HydrophobicContact CD2-CD 4.04Å; L505-K611 HydrophobicContact CD2-CG 3.77Å; L505-F614 HydrophobicContact CD1-CB 3.92Å; L505-I615 HydrophobicContact CD1-CG1 4.22Å
506	D	81.7	Confident	82.3	Confident	21 Å²	21	54.1 Å²	54.1	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-70	-30.1	-179.9	-61.8	-48.5	0	0	0	111.5	N502 R503 M510 F511 K611	N502-D506 HydrophobicContact CB-CB 3.77Å; R503-D506 PolarHBondContact O-N 3.14Å; D506-M510 WeakPolarHBondContact O-CA 3.08Å; D506-M510 WeakPolarHBondContact O-CB 3.36Å; D506-M510 PolarHBondContact O-N 3.5Å; D506-F511 PolarHBondContact O-N 3.47Å; D506-F511 VanDerWaalsContact O-N 3.15Å; D506-K611 WeakPolarHBondContact OD1-CE 3.5Å; D506-K611 IonicContact OD1-NZ 3.5Å; D506-K611 PolarHBondContact OD1-NZ 2.89Å
507	I	84.6	Confident	82.4	Confident	30 Å²	30	52.4 Å²	52.4	15%	0.154	24%	0.239	C	C	.	.	I	π-helix	trans	-60.3	-51.6	172.8	-63.2	174.8	0	0	0	110.8	F499 N502 R503 L505 F511 I512	F499-I507 HydrophobicContact CD2-CD1 4.48Å; F499-I507 HydrophobicContact CD2-CG2 4.11Å; F499-I507 HydrophobicContact CE2-CD1 4.35Å; F499-I507 HydrophobicContact CE2-CG2 4.02Å; N502-I507 HydrophobicContact CB-CG1 3.91Å; N502-I507 WeakPolarHBondContact O-CD1 3.26Å; R503-I507 PolarHBondContact O-N 3.09Å; L505-I507 VanDerWaalsContact C-N 3.31Å; L505-I507 PolarHBondContact O-N 2.85Å; I507-F511 HydrophobicContact CG2-CD1 4.18Å; I507-F511 WeakPolarHBondContact O-CB 3.46Å; I507-F511 PolarHBondContact O-N 3.31Å; I507-I512 PolarHBondContact O-N 3.39Å; I507-I512 VanDerWaalsContact O-N 3.16Å
508	Y	84.9	Confident	82.6	Confident	162 Å²	162	52.3 Å²	52.3	64%	0.635	24%	0.238	S	C	*	.	I	π-helix	trans	-73.4	-35.9	-178.5	-69.6	-65.4	0	0	0	113.1	K504 L505 I512	K504-Y508 WeakPolarHBondContact O-CD2 3.44Å; K504-Y508 PolarHBondContact O-N 3.36Å; L505-Y508 PolarHBondContact O-N 2.88Å; Y508-I512 HydrophobicContact CD1-CD1 3.78Å; Y508-I512 HydrophobicContact CE1-CD1 4.27Å
509	S	82.2	Confident	83	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	25%	0.252	C	S	.	.	I	π-helix	trans	-88.7	-29	-173.1	61.8	0	0	0	0	114.5	L505	L505-S509 VanDerWaalsContact O-CB 3.29Å; L505-S509 WeakPolarHBondContact O-CB 3.3Å; L505-S509 PolarHBondContact O-N 2.95Å; L505-S509 PolarHBondContact O-OG 3.28Å
510	M	83.9	Confident	83.4	Confident	23 Å²	23	50.4 Å²	50.4	11%	0.113	24%	0.236	C	C	.	.	I	π-helix	trans	-115.9	-60	-177.1	-60.3	-176.4	168.7	0	0	111.8	D506 I512 P513 Q514 K611	D506-M510 WeakPolarHBondContact O-CA 3.08Å; D506-M510 WeakPolarHBondContact O-CB 3.36Å; D506-M510 PolarHBondContact O-N 3.5Å; M510-I512 PolarHBondContact O-N 3.25Å; M510-P513 WeakPolarHBondContact O-CD 3.48Å; M510-Q514 VanDerWaalsContact O-CB 3.24Å; M510-Q514 WeakPolarHBondContact O-CB 3.48Å; M510-Q514 WeakPolarHBondContact O-CG 3.15Å; M510-Q514 PolarHBondContact O-N 3.44Å; M510-K611 HydrophobicContact CE-CD 3.58Å
511	F	89.3	Confident	84.2	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	22%	0.216	C	C	.	.	I	π-helix	trans	-58.6	-50.6	-170.6	167.6	-104.1	0	0	0	113	V495 S498 F499 D506 I507 Q514 L515	V495-F511 HydrophobicContact CG1-CD2 4.19Å; V495-F511 HydrophobicContact CG1-CE2 4.23Å; V495-F511 WeakPolarHBondContact O-CD2 3.3Å; V495-F511 WeakPolarHBondContact O-CE2 3.33Å; S498-F511 WeakPolarHBondContact OG-CD2 3.39Å; F499-F511 HydrophobicContact CB-CD1 4.46Å; F499-F511 HydrophobicContact CB-CD2 4.16Å; F499-F511 HydrophobicContact CB-CE1 4.13Å; F499-F511 HydrophobicContact CB-CE2 3.82Å; F499-F511 HydrophobicContact CB-CG 4.46Å; F499-F511 HydrophobicContact CB-CZ 3.79Å; F499-F511 AromaticContact CD2-CD1 3.79Å; F499-F511 HydrophobicContact CD2-CD1 3.79Å; F499-F511 AromaticContact CD2-CE1 3.53Å; F499-F511 HydrophobicContact CD2-CE1 3.53Å; F499-F511 HydrophobicContact CD2-CG 4.47Å; F499-F511 HydrophobicContact CD2-CZ 4.03Å; F499-F511 HydrophobicContact CE2-CE1 4.33Å; F499-F511 HydrophobicContact CG-CE1 4.15Å; F499-F511 HydrophobicContact CG-CZ 4.18Å; D506-F511 PolarHBondContact O-N 3.47Å; D506-F511 VanDerWaalsContact O-N 3.15Å; I507-F511 HydrophobicContact CG2-CD1 4.18Å; I507-F511 WeakPolarHBondContact O-CB 3.46Å; I507-F511 PolarHBondContact O-N 3.31Å; F511-Q514 PolarHBondContact O-N 2.85Å; F511-L515 HydrophobicContact CE1-CD2 4.28Å; F511-L515 HydrophobicContact CE2-CB 4.45Å; F511-L515 HydrophobicContact CE2-CD2 4.3Å; F511-L515 HydrophobicContact CZ-CD2 3.77Å; F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.36Å; F511-L515 PolarHBondContact O-N 3.07Å
512	I	90.7	Very high	85.7	Confident	76 Å²	76	43.5 Å²	43.5	39%	0.39	21%	0.206	S	C	.	.	H	α-helix	trans	-62.6	-52	-178	-64.9	173.1	0	0	0	111.2	I507 Y508 M510 Q514 L515 L516	I507-I512 PolarHBondContact O-N 3.39Å; I507-I512 VanDerWaalsContact O-N 3.16Å; Y508-I512 HydrophobicContact CD1-CD1 3.78Å; Y508-I512 HydrophobicContact CE1-CD1 4.27Å; M510-I512 PolarHBondContact O-N 3.25Å; I512-Q514 VanDerWaalsContact C-N 3.34Å; I512-Q514 PolarHBondContact O-N 3.02Å; I512-L515 PolarHBondContact O-N 3.27Å; I512-L516 VanDerWaalsContact O-CB 3.28Å; I512-L516 WeakPolarHBondContact O-CB 3.23Å; I512-L516 PolarHBondContact O-N 3.24Å
513	P	91.6	Very high	87.1	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.039	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-40.6	175.5	-27.9	36.2	0	0	0	114	M510 F517 C603 V606 M607	M510-P513 WeakPolarHBondContact O-CD 3.48Å; P513-F517 VanDerWaalsContact O-CB 3.25Å; P513-F517 WeakPolarHBondContact O-CB 3.3Å; P513-F517 PolarHBondContact O-N 3.17Å; P513-C603 HydrophobicContact CB-CB 4.16Å; P513-V606 HydrophobicContact CG-CG1 3.8Å; P513-M607 HydrophobicContact CB-CB 4.42Å; P513-M607 HydrophobicContact CB-CE 4.21Å
514	Q	91.2	Very high	88.3	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-46.9	179.4	-76.2	-178.9	-8.6	0	0	112.4	V495 M510 F511 I512 F517 L518 M607 H671 F675	V495-Q514 HydrophobicContact CG1-CB 4.41Å; M510-Q514 VanDerWaalsContact O-CB 3.24Å; M510-Q514 WeakPolarHBondContact O-CB 3.48Å; M510-Q514 WeakPolarHBondContact O-CG 3.15Å; M510-Q514 PolarHBondContact O-N 3.44Å; F511-Q514 PolarHBondContact O-N 2.85Å; I512-Q514 VanDerWaalsContact C-N 3.34Å; I512-Q514 PolarHBondContact O-N 3.02Å; Q514-F517 PolarHBondContact O-N 2.74Å; Q514-L518 PolarHBondContact O-N 2.93Å; Q514-L518 VanDerWaalsContact O-N 3.1Å; Q514-M607 HydrophobicContact CB-CE 4.5Å; Q514-M607 HydrophobicContact CG-CE 3.51Å; Q514-M607 HydrophobicContact CG-SD 4.1Å; Q514-H671 PolarHBondContact NE2-CE1 3.24Å; Q514-F675 HydrophobicContact CB-CE1 3.78Å; Q514-F675 HydrophobicContact CB-CE2 3.84Å; Q514-F675 HydrophobicContact CB-CZ 3.38Å; Q514-F675 HydrophobicContact CG-CD1 3.89Å; Q514-F675 HydrophobicContact CG-CD2 3.89Å; Q514-F675 HydrophobicContact CG-CE1 3.63Å; Q514-F675 HydrophobicContact CG-CE2 3.61Å; Q514-F675 HydrophobicContact CG-CG 4.03Å; Q514-F675 HydrophobicContact CG-CZ 3.48Å; Q514-F675 VanDerWaalsContact CG-CZ 3.48Å
515	L	92.3	Very high	89	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.246	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-45.8	177.9	179.8	65.1	0	0	0	110.6	V495 V496 F511 I512 L518 C519	V495-L515 HydrophobicContact CG1-CB 4.21Å; V495-L515 HydrophobicContact CG1-CD1 4.43Å; V496-L515 HydrophobicContact CG2-CD1 4.48Å; F511-L515 HydrophobicContact CE1-CD2 4.28Å; F511-L515 HydrophobicContact CE2-CB 4.45Å; F511-L515 HydrophobicContact CE2-CD2 4.3Å; F511-L515 HydrophobicContact CZ-CD2 3.77Å; F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.36Å; F511-L515 PolarHBondContact O-N 3.07Å; I512-L515 PolarHBondContact O-N 3.27Å; L515-L518 PolarHBondContact O-N 3.01Å; L515-C519 VanDerWaalsContact O-CB 3.29Å; L515-C519 WeakPolarHBondContact O-CB 3.35Å; L515-C519 PolarHBondContact O-N 3.03Å; L515-C519 PolarHBondContact O-SG 2.85Å
516	L	92.6	Very high	89.7	Confident	60 Å²	60	32.2 Å²	32.2	31%	0.314	16%	0.162	S	C	.	.	H	α-helix	trans	-61.9	-47.7	-180	-163	160.8	0	0	0	110.5	I512 L518 C519 C520 V599	I512-L516 VanDerWaalsContact O-CB 3.28Å; I512-L516 WeakPolarHBondContact O-CB 3.23Å; I512-L516 PolarHBondContact O-N 3.24Å; L516-L518 VanDerWaalsContact C-N 3.33Å; L516-L518 PolarHBondContact O-N 2.86Å; L516-C519 PolarHBondContact O-N 3.5Å; L516-C520 WeakPolarHBondContact CD2-SG 3.14Å; L516-C520 WeakPolarHBondContact O-CB 3.5Å; L516-C520 PolarHBondContact O-N 3.36Å; L516-C520 PolarHBondContact O-SG 3.14Å; L516-V599 HydrophobicContact CD1-CG1 3.86Å; L516-V599 HydrophobicContact CD2-CB 4.06Å; L516-V599 HydrophobicContact CD2-CG1 3.26Å; L516-V599 HydrophobicContact CG-CG1 4.21Å
517	F	92.4	Very high	90.3	Very high	21 Å²	21	35.6 Å²	35.6	9%	0.092	18%	0.179	C	C	.	.	H	α-helix	trans	-54.2	-47.7	176.8	-179.5	-94.1	0	0	0	112.3	P513 Q514 L521 A600 C603 F675 C676	P513-F517 VanDerWaalsContact O-CB 3.25Å; P513-F517 WeakPolarHBondContact O-CB 3.3Å; P513-F517 PolarHBondContact O-N 3.17Å; Q514-F517 PolarHBondContact O-N 2.74Å; F517-L521 HydrophobicContact CE1-CD1 4.16Å; F517-L521 HydrophobicContact CE2-CD1 4.01Å; F517-L521 HydrophobicContact CZ-CD1 3.77Å; F517-L521 PolarHBondContact O-N 3.01Å; F517-A600 HydrophobicContact CD2-CB 4.08Å; F517-A600 HydrophobicContact CE2-CB 4.43Å; F517-C603 HydrophobicContact CB-CB 4.39Å; F517-F675 AromaticContact CD1-CE1 3.99Å; F517-F675 HydrophobicContact CD1-CE1 3.99Å; F517-C676 HydrophobicContact CZ-CB 4.4Å
518	L	91	Very high	90.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-41.4	178.2	-173.9	65.5	0	0	0	112	M491 T492 V495 Q514 L515 L516 F522 V523	M491-L518 HydrophobicContact CB-CD2 4.45Å; M491-L518 HydrophobicContact CE-CD1 4.26Å; T492-L518 HydrophobicContact CG2-CD2 3.4Å; T492-L518 VanDerWaalsContact CG2-CD2 3.4Å; T492-L518 HydrophobicContact CG2-CG 3.87Å; V495-L518 HydrophobicContact CG2-CD2 4.14Å; Q514-L518 PolarHBondContact O-N 2.93Å; Q514-L518 VanDerWaalsContact O-N 3.1Å; L515-L518 PolarHBondContact O-N 3.01Å; L516-L518 VanDerWaalsContact C-N 3.33Å; L516-L518 PolarHBondContact O-N 2.86Å; L518-F522 HydrophobicContact CD1-CB 4.22Å; L518-F522 HydrophobicContact CD1-CD2 3.87Å; L518-F522 HydrophobicContact CD1-CG 4.43Å; L518-F522 PolarHBondContact O-N 3.39Å; L518-V523 PolarHBondContact O-N 3.14Å
519	C	91.5	Very high	91	Very high	51 Å²	51	27.3 Å²	27.3	35%	0.345	15%	0.145	S	C	.	.	I	π-helix	trans	-64.3	-45.7	178.7	-76.3	0	0	0	0	112.5	L515 L516 L521 V523 Y524	L515-C519 VanDerWaalsContact O-CB 3.29Å; L515-C519 WeakPolarHBondContact O-CB 3.35Å; L515-C519 PolarHBondContact O-N 3.03Å; L515-C519 PolarHBondContact O-SG 2.85Å; L516-C519 PolarHBondContact O-N 3.5Å; C519-L521 VanDerWaalsContact C-N 3.33Å; C519-L521 PolarHBondContact O-N 3.4Å; C519-V523 HydrophobicContact CB-CG2 4.45Å; C519-V523 WeakPolarHBondContact O-CB 3.37Å; C519-Y524 PolarHBondContact O-N 3.21Å
520	C	90.9	Very high	91.4	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.068	17%	0.168	C	C	.	.	I	π-helix	trans	-63.7	-35.5	-177.6	-77	0	0	0	0	113.3	L516 Y524 L596 A600	L516-C520 WeakPolarHBondContact CD2-SG 3.14Å; L516-C520 WeakPolarHBondContact O-CB 3.5Å; L516-C520 PolarHBondContact O-N 3.36Å; L516-C520 PolarHBondContact O-SG 3.14Å; C520-Y524 WeakPolarHBondContact O-CB 3.25Å; C520-L596 HydrophobicContact CB-CB 4.23Å; C520-L596 HydrophobicContact CB-CD2 4.26Å; C520-A600 HydrophobicContact CB-CB 4.16Å
521	L	89.5	Confident	91.7	Very high	26 Å²	26	32.6 Å²	32.6	14%	0.136	17%	0.171	C	C	.	.	I	π-helix	trans	-95.6	-58.9	-177.3	-61.4	179.9	0	0	0	112.3	F517 C519 L525 M564 A600	F517-L521 HydrophobicContact CE1-CD1 4.16Å; F517-L521 HydrophobicContact CE2-CD1 4.01Å; F517-L521 HydrophobicContact CZ-CD1 3.77Å; F517-L521 PolarHBondContact O-N 3.01Å; C519-L521 VanDerWaalsContact C-N 3.33Å; C519-L521 PolarHBondContact O-N 3.4Å; L521-L525 PolarHBondContact O-N 3.33Å; L521-M564 HydrophobicContact CD2-CE 4.07Å; L521-A600 HydrophobicContact CD2-CB 4.42Å; L521-A600 HydrophobicContact CG-CB 4.37Å
522	F	91.6	Very high	91.7	Very high	18 Å²	18	33.6 Å²	33.6	8%	0.079	18%	0.175	C	C	.	.	I	π-helix	trans	-95.3	-33.7	-164.5	-67.1	-69	0	0	0	113.8	V488 L518 Y524 L525 C526 I680 T683	V488-F522 HydrophobicContact CG1-CB 4.04Å; V488-F522 HydrophobicContact CG2-CB 3.87Å; L518-F522 HydrophobicContact CD1-CB 4.22Å; L518-F522 HydrophobicContact CD1-CD2 3.87Å; L518-F522 HydrophobicContact CD1-CG 4.43Å; L518-F522 PolarHBondContact O-N 3.39Å; F522-Y524 VanDerWaalsContact C-N 3.35Å; F522-L525 WeakPolarHBondContact O-CB 3.27Å; F522-L525 PolarHBondContact O-N 3.25Å; F522-C526 PolarHBondContact O-N 2.89Å; F522-C526 PolarHBondContact O-SG 2.87Å; F522-I680 HydrophobicContact CE2-CG1 4.37Å; F522-I680 HydrophobicContact CZ-CB 4.34Å; F522-I680 HydrophobicContact CZ-CG1 4.03Å; F522-T683 HydrophobicContact CD1-CG2 3.61Å; F522-T683 HydrophobicContact CE1-CG2 3.75Å; F522-T683 HydrophobicContact CG-CG2 4.37Å
523	V	92.9	Very high	91.5	Very high	41 Å²	41	35.6 Å²	35.6	25%	0.248	18%	0.178	C	C	.	.	I	π-helix	trans	-69.1	-39.4	171.8	-179.8	0	0	0	0	109.9	V488 T492 L518 C519 L525 C526 I527	V488-V523 HydrophobicContact CG1-CG2 3.97Å; T492-V523 HydrophobicContact CG2-CG2 3.64Å; L518-V523 PolarHBondContact O-N 3.14Å; C519-V523 HydrophobicContact CB-CG2 4.45Å; C519-V523 WeakPolarHBondContact O-CB 3.37Å; V523-L525 VanDerWaalsContact C-N 3.31Å; V523-L525 PolarHBondContact O-N 3.38Å; V523-C526 WeakPolarHBondContact O-CB 3.45Å; V523-C526 PolarHBondContact O-N 3.26Å; V523-C526 VanDerWaalsContact O-N 3.08Å; V523-I527 HydrophobicContact CG1-CD1 4.18Å; V523-I527 WeakPolarHBondContact O-CG1 3.48Å; V523-I527 PolarHBondContact O-N 2.69Å
524	Y	93.5	Very high	91.2	Very high	15 Å²	15	38 Å²	38	6%	0.059	20%	0.197	C	C	.	.	H	α-helix	trans	-56	-44.4	170.5	-179.1	-107.8	0	0	0	112	C519 C520 F522 C526 I527 M528 M564 Y586 Q589 F592 E593 L596	C519-Y524 PolarHBondContact O-N 3.21Å; C520-Y524 WeakPolarHBondContact O-CB 3.25Å; F522-Y524 VanDerWaalsContact C-N 3.35Å; Y524-C526 VanDerWaalsContact C-N 3.32Å; Y524-C526 PolarHBondContact O-N 2.94Å; Y524-I527 PolarHBondContact O-N 3.07Å; Y524-M528 HydrophobicContact CD1-CG 4.18Å; Y524-M528 HydrophobicContact CD2-CE 4.37Å; Y524-M528 HydrophobicContact CE1-CG 3.75Å; Y524-M528 HydrophobicContact CE1-SD 4.34Å; Y524-M528 HydrophobicContact CE2-CE 3.68Å; Y524-M528 HydrophobicContact CE2-CG 4.19Å; Y524-M528 HydrophobicContact CE2-SD 4.18Å; Y524-M528 WeakPolarHBondContact O-CG 3.28Å; Y524-M528 PolarHBondContact O-N 3.15Å; Y524-M564 HydrophobicContact CD1-CE 4.47Å; Y524-M564 HydrophobicContact CD1-SD 4.09Å; Y524-M564 HydrophobicContact CE1-SD 4.21Å; Y524-Y586 PolarHBondContact OH-OH 3.23Å; Y524-Q589 PolarHBondContact OH-NE2 3.4Å; Y524-F592 HydrophobicContact CD2-CD1 4.46Å; Y524-F592 AromaticContact CD2-CE1 3.89Å; Y524-F592 HydrophobicContact CD2-CE1 3.89Å; Y524-F592 AromaticContact CE2-CD1 3.85Å; Y524-F592 HydrophobicContact CE2-CD1 3.85Å; Y524-F592 AromaticContact CE2-CE1 3.66Å; Y524-F592 HydrophobicContact CE2-CE1 3.66Å; Y524-E593 HydrophobicContact CE1-CG 3.85Å; Y524-E593 WeakPolarHBondContact OH-CG 3.18Å; Y524-E593 PolarHBondContact OH-OE1 2.82Å; Y524-L596 HydrophobicContact CD1-CD1 4.29Å; Y524-L596 HydrophobicContact CD2-CD1 3.73Å; Y524-L596 HydrophobicContact CE2-CD1 4.19Å; Y524-L596 HydrophobicContact CG-CD1 3.77Å
525	L	92.4	Very high	90.8	Very high	23 Å²	23	37.4 Å²	37.4	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-42.7	173.7	178.9	65.9	0	0	0	112.3	I484 L521 F522 V523 M528 I529 L561	I484-L525 HydrophobicContact CG2-CD2 4.12Å; L521-L525 PolarHBondContact O-N 3.33Å; F522-L525 WeakPolarHBondContact O-CB 3.27Å; F522-L525 PolarHBondContact O-N 3.25Å; V523-L525 VanDerWaalsContact C-N 3.31Å; V523-L525 PolarHBondContact O-N 3.38Å; L525-M528 PolarHBondContact O-N 3.06Å; L525-I529 HydrophobicContact CG-CD1 4.45Å; L525-I529 WeakPolarHBondContact O-CG1 3.37Å; L525-I529 PolarHBondContact O-N 2.98Å; L525-L561 HydrophobicContact CD2-CD2 4.38Å
526	C	93.5	Very high	90.4	Very high	14 Å²	14	36.4 Å²	36.4	10%	0.095	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-41.9	176.4	-65.3	0	0	0	0	112.1	F522 V523 Y524 M528 I529 I530	F522-C526 PolarHBondContact O-N 2.89Å; F522-C526 PolarHBondContact O-SG 2.87Å; V523-C526 WeakPolarHBondContact O-CB 3.45Å; V523-C526 PolarHBondContact O-N 3.26Å; V523-C526 VanDerWaalsContact O-N 3.08Å; Y524-C526 VanDerWaalsContact C-N 3.32Å; Y524-C526 PolarHBondContact O-N 2.94Å; C526-M528 VanDerWaalsContact C-N 3.31Å; C526-M528 PolarHBondContact O-N 3.35Å; C526-I529 PolarHBondContact O-N 2.77Å; C526-I530 WeakPolarHBondContact O-CG1 3.36Å; C526-I530 PolarHBondContact O-N 3.01Å; C526-I530 VanDerWaalsContact O-N 3.09Å
527	I	93.5	Very high	89.7	Confident	92 Å²	92	35.3 Å²	35.3	47%	0.472	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-42.4	174.4	-65.2	166.6	0	0	0	110	V523 Y524 I529 I530 Y531	V523-I527 HydrophobicContact CG1-CD1 4.18Å; V523-I527 WeakPolarHBondContact O-CG1 3.48Å; V523-I527 PolarHBondContact O-N 2.69Å; Y524-I527 PolarHBondContact O-N 3.07Å; I527-I529 VanDerWaalsContact C-N 3.35Å; I527-I529 PolarHBondContact O-N 3.35Å; I527-I530 PolarHBondContact O-N 3.16Å; I527-Y531 WeakPolarHBondContact O-CB 3.31Å; I527-Y531 PolarHBondContact O-N 3.15Å
528	M	91.7	Very high	89	Confident	14 Å²	14	36.3 Å²	36.3	7%	0.069	20%	0.197	C	C	.	.	H	α-helix	trans	-64.7	-35.1	176.4	-69.2	-60.3	99.8	0	0	113	Y524 L525 C526 K532 L557 F585 Y586	Y524-M528 HydrophobicContact CD1-CG 4.18Å; Y524-M528 HydrophobicContact CD2-CE 4.37Å; Y524-M528 HydrophobicContact CE1-CG 3.75Å; Y524-M528 HydrophobicContact CE1-SD 4.34Å; Y524-M528 HydrophobicContact CE2-CE 3.68Å; Y524-M528 HydrophobicContact CE2-CG 4.19Å; Y524-M528 HydrophobicContact CE2-SD 4.18Å; Y524-M528 WeakPolarHBondContact O-CG 3.28Å; Y524-M528 PolarHBondContact O-N 3.15Å; L525-M528 PolarHBondContact O-N 3.06Å; C526-M528 VanDerWaalsContact C-N 3.31Å; C526-M528 PolarHBondContact O-N 3.35Å; M528-K532 VanDerWaalsContact O-CB 3.28Å; M528-K532 WeakPolarHBondContact O-CB 3.42Å; M528-K532 PolarHBondContact O-N 2.89Å; M528-L557 HydrophobicContact CB-CD2 3.8Å; M528-F585 HydrophobicContact SD-CD2 4.48Å; M528-F585 HydrophobicContact SD-CG 4.42Å; M528-Y586 HydrophobicContact CE-CD1 4.46Å; M528-Y586 HydrophobicContact CE-CE1 3.83Å; M528-Y586 HydrophobicContact SD-CE1 3.96Å
529	I	92.4	Very high	88.3	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-50.3	173.5	-68.7	164.3	0	0	0	110.4	K481 I484 I485 L525 C526 I527 Y531 K532 W533 L557	K481-I529 HydrophobicContact CB-CG2 4Å; K481-I529 HydrophobicContact CD-CG2 4.09Å; K481-I529 HydrophobicContact CG-CG2 4.09Å; I484-I529 HydrophobicContact CG2-CD1 4.28Å; I485-I529 HydrophobicContact CD1-CB 4.48Å; I485-I529 HydrophobicContact CD1-CG2 3.84Å; I485-I529 HydrophobicContact CG1-CD1 4.32Å; L525-I529 HydrophobicContact CG-CD1 4.45Å; L525-I529 WeakPolarHBondContact O-CG1 3.37Å; L525-I529 PolarHBondContact O-N 2.98Å; C526-I529 PolarHBondContact O-N 2.77Å; I527-I529 VanDerWaalsContact C-N 3.35Å; I527-I529 PolarHBondContact O-N 3.35Å; I529-Y531 VanDerWaalsContact C-N 3.35Å; I529-K532 PolarHBondContact O-N 3.34Å; I529-W533 HydrophobicContact CG2-CD2 4.18Å; I529-W533 HydrophobicContact CG2-CE3 4.2Å; I529-W533 HydrophobicContact CG2-CH2 4.09Å; I529-W533 HydrophobicContact CG2-CZ2 4.08Å; I529-W533 HydrophobicContact CG2-CZ3 4.15Å; I529-W533 PolarHBondContact O-N 2.96Å; I529-L557 HydrophobicContact CG1-CD1 3.78Å
530	I	91.7	Very high	87.7	Confident	96 Å²	96	39.8 Å²	39.8	49%	0.492	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-42.3	-179.6	-64.6	169.2	0	0	0	110.3	C526 I527 K532 W533 A534	C526-I530 WeakPolarHBondContact O-CG1 3.36Å; C526-I530 PolarHBondContact O-N 3.01Å; C526-I530 VanDerWaalsContact O-N 3.09Å; I527-I530 PolarHBondContact O-N 3.16Å; I530-K532 VanDerWaalsContact C-N 3.34Å; I530-K532 PolarHBondContact O-N 3Å; I530-W533 PolarHBondContact O-N 3.47Å; I530-A534 PolarHBondContact O-N 3.19Å
531	Y	90.1	Very high	87	Confident	40 Å²	40	43.4 Å²	43.4	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-44.2	176.4	-173	-97.7	0	0	0	111.5	I527 I529 W533 A534 A535 M543 Y548 F585	I527-Y531 WeakPolarHBondContact O-CB 3.31Å; I527-Y531 PolarHBondContact O-N 3.15Å; I529-Y531 VanDerWaalsContact C-N 3.35Å; Y531-W533 VanDerWaalsContact C-N 3.32Å; Y531-W533 PolarHBondContact O-N 3Å; Y531-A534 PolarHBondContact O-N 3.33Å; Y531-A534 VanDerWaalsContact O-N 3.13Å; Y531-A535 HydrophobicContact CD1-CB 4.32Å; Y531-A535 HydrophobicContact CE1-CB 3.99Å; Y531-A535 VanDerWaalsContact O-CB 3.31Å; Y531-A535 WeakPolarHBondContact O-CB 3.36Å; Y531-A535 PolarHBondContact O-N 3.17Å; Y531-M543 HydrophobicContact CE2-CE 3.95Å; Y531-Y548 PolarHBondContact OH-OH 3.37Å; Y531-F585 HydrophobicContact CD1-CB 4.28Å; Y531-F585 HydrophobicContact CD1-CD1 4.17Å; Y531-F585 HydrophobicContact CE1-CB 4.07Å
532	K	89.1	Confident	86.5	Confident	40 Å²	40	48.4 Å²	48.4	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-40.9	175.7	-177	170.5	-179.4	161	0	111.9	M528 I529 I530 A534 F536 P555 L557 F585	M528-K532 VanDerWaalsContact O-CB 3.28Å; M528-K532 WeakPolarHBondContact O-CB 3.42Å; M528-K532 PolarHBondContact O-N 2.89Å; I529-K532 PolarHBondContact O-N 3.34Å; I530-K532 VanDerWaalsContact C-N 3.34Å; I530-K532 PolarHBondContact O-N 3Å; K532-A534 VanDerWaalsContact C-N 3.31Å; K532-A534 PolarHBondContact O-N 2.87Å; K532-F536 HydrophobicContact CG-CD2 4.11Å; K532-F536 PolarHBondContact O-N 2.8Å; K532-P555 PolarHBondContact NZ-O 2.76Å; K532-L557 HydrophobicContact CD-CD1 3.97Å; K532-L557 HydrophobicContact CD-CD2 4.33Å; K532-L557 HydrophobicContact CD-CG 3.94Å; K532-F585 HydrophobicContact CB-CE1 4.04Å; K532-F585 HydrophobicContact CD-CE1 4.18Å; K532-F585 HydrophobicContact CG-CE1 4.23Å
533	W	86.9	Confident	85.7	Confident	118 Å²	118	50.4 Å²	50.4	45%	0.447	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-30.9	175.7	-74.5	-27.7	0	0	0	113.4	F478 K481 I485 I529 I530 Y531	F478-W533 HydrophobicContact CD2-CZ2 4.29Å; F478-W533 HydrophobicContact CE2-CH2 4.47Å; K481-W533 HydrophobicContact CB-CH2 4.22Å; K481-W533 HydrophobicContact CB-CZ2 3.78Å; K481-W533 HydrophobicContact CD-CZ2 3.82Å; K481-W533 HydrophobicContact CG-CZ2 4.46Å; I485-W533 HydrophobicContact CD1-CH2 3.9Å; I485-W533 HydrophobicContact CD1-CZ3 3.79Å; I529-W533 HydrophobicContact CG2-CD2 4.18Å; I529-W533 HydrophobicContact CG2-CE3 4.2Å; I529-W533 HydrophobicContact CG2-CH2 4.09Å; I529-W533 HydrophobicContact CG2-CZ2 4.08Å; I529-W533 HydrophobicContact CG2-CZ3 4.15Å; I529-W533 PolarHBondContact O-N 2.96Å; I530-W533 PolarHBondContact O-N 3.47Å; Y531-W533 VanDerWaalsContact C-N 3.32Å; Y531-W533 PolarHBondContact O-N 3Å
534	A	85.6	Confident	84.8	Confident	55 Å²	55	53.8 Å²	53.8	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-86.1	-36.9	-179.7	0	0	0	0	0	114	I530 Y531 K532	I530-A534 PolarHBondContact O-N 3.19Å; Y531-A534 PolarHBondContact O-N 3.33Å; Y531-A534 VanDerWaalsContact O-N 3.13Å; K532-A534 VanDerWaalsContact C-N 3.31Å; K532-A534 PolarHBondContact O-N 2.87Å
535	A	82.8	Confident	83.9	Confident	1 Å²	1	56 Å²	56	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-86.8	-38.6	-170.8	0	0	0	0	0	113.7	Y531 T537 M543 Y548	Y531-A535 HydrophobicContact CD1-CB 4.32Å; Y531-A535 HydrophobicContact CE1-CB 3.99Å; Y531-A535 VanDerWaalsContact O-CB 3.31Å; Y531-A535 WeakPolarHBondContact O-CB 3.36Å; Y531-A535 PolarHBondContact O-N 3.17Å; A535-T537 PolarHBondContact O-N 3.38Å; A535-M543 HydrophobicContact CB-SD 4.14Å; A535-Y548 HydrophobicContact CB-CD1 4.41Å; A535-Y548 HydrophobicContact CB-CE1 4.35Å
536	F	82.6	Confident	83	Confident	25 Å²	25	55.6 Å²	55.6	11%	0.11	31%	0.308	C	S	.	.			trans	-98.4	92.7	-173.6	-67.5	-86	0	0	0	111.7	K532 Y548 A554 P555 F585	K532-F536 HydrophobicContact CG-CD2 4.11Å; K532-F536 PolarHBondContact O-N 2.8Å; F536-Y548 HydrophobicContact CD1-CD1 4.44Å; F536-Y548 AromaticContact CE1-CD1 3.85Å; F536-Y548 HydrophobicContact CE1-CD1 3.85Å; F536-Y548 HydrophobicContact CE2-CD1 4.26Å; F536-Y548 HydrophobicContact CE2-CE1 4.4Å; F536-Y548 AromaticContact CZ-CD1 3.74Å; F536-Y548 HydrophobicContact CZ-CD1 3.74Å; F536-Y548 HydrophobicContact CZ-CE1 4.05Å; F536-A554 HydrophobicContact CB-CB 4.05Å; F536-A554 HydrophobicContact CD1-CB 3.56Å; F536-A554 HydrophobicContact CD2-CB 4.23Å; F536-A554 HydrophobicContact CE1-CB 4.04Å; F536-A554 HydrophobicContact CG-CB 3.67Å; F536-P555 HydrophobicContact CZ-CG 4.3Å; F536-F585 AromaticContact CE2-CD1 3.83Å; F536-F585 HydrophobicContact CE2-CD1 3.83Å; F536-F585 HydrophobicContact CE2-CE1 4.08Å
537	T	79.1	Confident	82.2	Confident	37 Å²	37	60.2 Å²	60.2	23%	0.227	32%	0.324	C	S	.	.			trans	-89.7	172.8	171.2	47.1	0	0	0	0	112	A535 Y539 G550 G551	A535-T537 PolarHBondContact O-N 3.38Å; T537-Y539 PolarHBondContact OG1-O 3.3Å; T537-G550 CarbonylContact O-C 3.38Å; T537-G550 VanDerWaalsContact O-CA 3.27Å; T537-G550 WeakPolarHBondContact O-CA 3.43Å; T537-G551 PolarHBondContact O-N 3.36Å
538	A	76.9	Confident	81.5	Confident	42 Å²	42	55.9 Å²	55.9	35%	0.347	30%	0.301	S	S	.	.	S	Bend	trans	-64.8	-40.9	177.2	0	0	0	0	0	112.4	P448	P448-A538 HydrophobicContact CB-CB 3.72Å; P448-A538 HydrophobicContact CG-CB 3.9Å
539	Y	76.8	Confident	80.6	Confident	98 Å²	98	55.7 Å²	55.7	38%	0.384	30%	0.301	S	S	.	.	S	Bend	trans	-91.4	156.6	171.8	56.6	-85	0	0	0	110.9	N449 T537 K541	N449-Y539 WeakPolarHBondContact OD1-CB 3.38Å; T537-Y539 PolarHBondContact OG1-O 3.3Å; Y539-K541 PolarHBondContact O-N 3.22Å
540	G	77.5	Confident	79.9	Confident	27 Å²	27	55.6 Å²	55.6	28%	0.278	30%	0.301	S	S	.	.			trans	-67.1	131.5	174.7	0	0	0	0	0	111.3	Y548	G540-Y548 CarbonylContact C-O 3.38Å; G540-Y548 WeakPolarHBondContact CA-O 3.49Å
541	K	77.4	Confident	79.3	Confident	87 Å²	87	52.9 Å²	52.9	38%	0.378	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.9	-177.4	-174.8	176.3	179	179.6	0	110.1	Y539 M543 Y548	Y539-K541 PolarHBondContact O-N 3.22Å; K541-M543 PolarHBondContact O-N 3.24Å; K541-Y548 PolarHBondContact N-O 3.31Å; K541-Y548 PolarHBondContact O-N 3.27Å
542	Q	79.1	Confident	78.7	Confident	130 Å²	130	57.1 Å²	57.1	61%	0.607	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.6	166.4	-166.9	70.8	6.4	0	0	108.6
543	M	75.3	Confident	78.3	Confident	61 Å²	61	55.5 Å²	55.5	30%	0.3	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	165.5	171.1	-164.1	160.2	159.7	0	0	108.5	Y531 A535 K541 V545 G546 Y548	Y531-M543 HydrophobicContact CE2-CE 3.95Å; A535-M543 HydrophobicContact CB-SD 4.14Å; K541-M543 PolarHBondContact O-N 3.24Å; M543-V545 PolarHBondContact O-N 3.11Å; M543-G546 PolarHBondContact N-O 3.32Å; M543-G546 PolarHBondContact O-N 3.19Å; M543-G546 VanDerWaalsContact O-N 3.08Å; M543-Y548 HydrophobicContact CB-CD2 3.98Å; M543-Y548 HydrophobicContact CB-CE2 3.84Å
544	A	72.8	Confident	78.1	Confident	111 Å²	111	51.2 Å²	51.2	92%	0.917	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.5	-179.2	0	0	0	0	0	114.1
545	V	74.2	Confident	78.1	Confident	61 Å²	61	49 Å²	49	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-14.8	-172.7	-176.5	0	0	0	0	112.6	M543 Y572 P587	M543-V545 PolarHBondContact O-N 3.11Å; V545-Y572 PolarHBondContact O-OH 3.23Å; V545-P587 HydrophobicContact CG1-CG 3.69Å
546	G	73.6	Confident	78.3	Confident	15 Å²	15	51.5 Å²	51.5	16%	0.155	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	176.6	-177.8	0	0	0	0	0	113.9	M543 Y548	M543-G546 PolarHBondContact N-O 3.32Å; M543-G546 PolarHBondContact O-N 3.19Å; M543-G546 VanDerWaalsContact O-N 3.08Å; G546-Y548 WeakPolarHBondContact O-CD2 3.29Å; G546-Y548 WeakPolarHBondContact O-CE2 3.35Å
547	Y	76.8	Confident	78.6	Confident	111 Å²	111	51.5 Å²	51.5	44%	0.435	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.8	171.6	-177.4	-109	0	0	0	110.2	P549 F574	Y547-P549 HydrophobicContact CD1-CB 4.48Å; Y547-P549 HydrophobicContact CE1-CB 3.92Å; Y547-F574 WeakPolarHBondContact O-CD2 3.13Å; Y547-F574 WeakPolarHBondContact O-CE2 3.38Å; Y547-F574 WeakPolarHBondContact O-CG 3.46Å
548	Y	79.4	Confident	79	Confident	1 Å²	1	55.4 Å²	55.4	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.5	174.3	-68.1	-93.1	0	0	0	108.4	Y531 A535 F536 G540 K541 M543 G546 G550 F574 F585	Y531-Y548 PolarHBondContact OH-OH 3.37Å; A535-Y548 HydrophobicContact CB-CD1 4.41Å; A535-Y548 HydrophobicContact CB-CE1 4.35Å; F536-Y548 HydrophobicContact CD1-CD1 4.44Å; F536-Y548 AromaticContact CE1-CD1 3.85Å; F536-Y548 HydrophobicContact CE1-CD1 3.85Å; F536-Y548 HydrophobicContact CE2-CD1 4.26Å; F536-Y548 HydrophobicContact CE2-CE1 4.4Å; F536-Y548 AromaticContact CZ-CD1 3.74Å; F536-Y548 HydrophobicContact CZ-CD1 3.74Å; F536-Y548 HydrophobicContact CZ-CE1 4.05Å; G540-Y548 CarbonylContact C-O 3.38Å; G540-Y548 WeakPolarHBondContact CA-O 3.49Å; K541-Y548 PolarHBondContact N-O 3.31Å; K541-Y548 PolarHBondContact O-N 3.27Å; M543-Y548 HydrophobicContact CB-CD2 3.98Å; M543-Y548 HydrophobicContact CB-CE2 3.84Å; G546-Y548 WeakPolarHBondContact O-CD2 3.29Å; G546-Y548 WeakPolarHBondContact O-CE2 3.35Å; Y548-G550 PolarHBondContact O-N 2.95Å; Y548-G550 VanDerWaalsContact O-N 3.08Å; Y548-F574 HydrophobicContact CD1-CE2 4.18Å; Y548-F574 AromaticContact CD1-CZ 3.87Å; Y548-F574 HydrophobicContact CD1-CZ 3.87Å; Y548-F574 HydrophobicContact CE1-CE2 4.08Å; Y548-F574 AromaticContact CE1-CZ 3.92Å; Y548-F574 HydrophobicContact CE1-CZ 3.92Å; Y548-F585 WeakPolarHBondContact CE1-O 3.35Å; Y548-F585 PolarHBondContact OH-O 2.95Å
549	P	72.4	Confident	79.4	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.065	33%	0.325	C	S	.	.			trans	-73.3	0.6	-170.8	27.7	-34.9	0	0	0	114.9	Y547 H552 C553 F574 P577	Y547-P549 HydrophobicContact CD1-CB 4.48Å; Y547-P549 HydrophobicContact CE1-CB 3.92Å; P549-H552 PolarHBondContact O-CE1 3.3Å; P549-C553 HydrophobicContact CG-CB 3.88Å; P549-F574 HydrophobicContact CG-CD1 3.79Å; P549-F574 HydrophobicContact CG-CE1 4.36Å; P549-F574 HydrophobicContact CG-CG 4.48Å; P549-P577 HydrophobicContact CB-CB 4.22Å
550	G	77.4	Confident	79.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.01	31%	0.31	C	S	.	.			trans	116	-177.3	177.4	0	0	0	0	0	113	T537 Y548 H552 C553	T537-G550 CarbonylContact O-C 3.38Å; T537-G550 VanDerWaalsContact O-CA 3.27Å; T537-G550 WeakPolarHBondContact O-CA 3.43Å; Y548-G550 PolarHBondContact O-N 2.95Å; Y548-G550 VanDerWaalsContact O-N 3.08Å; G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 2.83Å; G550-C553 PolarHBondContact O-N 3.29Å
551	G	78.7	Confident	80.3	Confident	39 Å²	39	54.4 Å²	54.4	40%	0.402	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20	-170.7	0	0	0	0	0	116	T537 A554	T537-G551 PolarHBondContact O-N 3.36Å; G551-A554 VanDerWaalsContact O-CB 3.25Å; G551-A554 WeakPolarHBondContact O-CB 3.02Å; G551-A554 PolarHBondContact O-N 3.39Å
552	H	78.5	Confident	80.8	Confident	129 Å²	129	54.7 Å²	54.7	60%	0.597	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.9	-28.9	-178.5	62.3	-82.9	0	0	0	113	P549 G550 C580	P549-H552 PolarHBondContact O-CE1 3.3Å; G550-H552 VanDerWaalsContact C-N 3.27Å; G550-H552 PolarHBondContact O-N 2.83Å; H552-C580 PolarHBondContact CD2-SG 2.93Å
553	C	80.2	Confident	81.2	Confident	7 Å²	7	50 Å²	50	5%	0.047	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-94.9	17.8	173.5	-57.3	0	0	0	0	113.2	P549 G550 P555 C580	P549-C553 HydrophobicContact CG-CB 3.88Å; G550-C553 PolarHBondContact O-N 3.29Å; C553-P555 VanDerWaalsContact O-CD 3.25Å; C553-P555 WeakPolarHBondContact O-CD 3.4Å; C553-C580 WeakPolarHBondContact CA-SG 3.4Å; C553-C580 HydrophobicContact CB-CB 3.69Å; C553-C580 WeakPolarHBondContact CB-SG 3.38Å; C553-C580 VanDerWaalsContact SG-CA 3.55Å; C553-C580 WeakPolarHBondContact SG-CB 3.4Å; C553-C580 CovalentContact SG-SG 2.04Å; C553-C580 PolarHBondContact SG-SG 2.89Å
554	A	83.3	Confident	81.9	Confident	27 Å²	27	47.2 Å²	47.2	22%	0.223	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-74.2	116.1	-175.1	0	0	0	0	0	112.3	F536 G551	F536-A554 HydrophobicContact CB-CB 4.05Å; F536-A554 HydrophobicContact CD1-CB 3.56Å; F536-A554 HydrophobicContact CD2-CB 4.23Å; F536-A554 HydrophobicContact CE1-CB 4.04Å; F536-A554 HydrophobicContact CG-CB 3.67Å; G551-A554 VanDerWaalsContact O-CB 3.25Å; G551-A554 WeakPolarHBondContact O-CB 3.02Å; G551-A554 PolarHBondContact O-N 3.39Å
555	P	84.8	Confident	82.6	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.052	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.6	152.1	-174.7	-22.7	33.2	0	0	0	113.4	K532 F536 C553 F585	K532-P555 PolarHBondContact NZ-O 2.76Å; F536-P555 HydrophobicContact CZ-CG 4.3Å; C553-P555 VanDerWaalsContact O-CD 3.25Å; C553-P555 WeakPolarHBondContact O-CD 3.4Å; P555-F585 HydrophobicContact CB-CD2 4.36Å; P555-F585 HydrophobicContact CB-CE1 4.37Å; P555-F585 HydrophobicContact CB-CE2 3.87Å; P555-F585 HydrophobicContact CB-CZ 3.86Å; P555-F585 HydrophobicContact CG-CE1 4.48Å; P555-F585 HydrophobicContact CG-CE2 4.47Å; P555-F585 HydrophobicContact CG-CZ 4.42Å
556	S	87.8	Confident	83.3	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-76.8	125.2	176.2	179	0	0	0	0	111.5	L558 G560	S556-L558 VanDerWaalsContact C-N 3.34Å; S556-L558 PolarHBondContact O-N 3.01Å; S556-G560 PolarHBondContact O-N 3.43Å
557	L	88.6	Confident	83.9	Confident	25 Å²	25	54.6 Å²	54.6	13%	0.131	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-38.6	179	-68.8	165.1	0	0	0	112.1	M528 I529 K532 G560 L561 F585	M528-L557 HydrophobicContact CB-CD2 3.8Å; I529-L557 HydrophobicContact CG1-CD1 3.78Å; K532-L557 HydrophobicContact CD-CD1 3.97Å; K532-L557 HydrophobicContact CD-CD2 4.33Å; K532-L557 HydrophobicContact CD-CG 3.94Å; L557-G560 PolarHBondContact O-N 3.35Å; L557-L561 PolarHBondContact O-N 3.42Å; L557-F585 HydrophobicContact CD2-CE1 4.21Å; L557-F585 HydrophobicContact CD2-CE2 4.33Å; L557-F585 HydrophobicContact CD2-CZ 3.64Å; L557-F585 HydrophobicContact CG-CZ 4.27Å
558	L	86.7	Confident	84.3	Confident	119 Å²	119	51.4 Å²	51.4	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-66.1	-47.6	-179.1	179.7	67.6	0	0	0	111.3	S556 G560 L561 I562	S556-L558 VanDerWaalsContact C-N 3.34Å; S556-L558 PolarHBondContact O-N 3.01Å; L558-G560 VanDerWaalsContact C-N 3.29Å; L558-G560 PolarHBondContact O-N 2.84Å; L558-L561 PolarHBondContact O-N 2.85Å; L558-I562 HydrophobicContact CD1-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 4.16Å; L558-I562 WeakPolarHBondContact O-CG1 3.48Å; L558-I562 PolarHBondContact O-N 3.28Å
559	I	86.5	Confident	84.3	Confident	90 Å²	90	55.9 Å²	55.9	46%	0.462	31%	0.31	S	S	.	.	H	α-helix	trans	-67.4	-36.2	179	-63	163.4	0	0	0	109.9	L561 I562 N563	I559-L561 PolarHBondContact O-N 2.81Å; I559-I562 PolarHBondContact O-N 3.49Å; I559-N563 WeakPolarHBondContact CG2-ND2 3.45Å; I559-N563 VanDerWaalsContact O-CB 3.28Å; I559-N563 WeakPolarHBondContact O-CB 3.43Å; I559-N563 VanDerWaalsContact O-CG 3.22Å; I559-N563 PolarHBondContact O-N 2.98Å; I559-N563 PolarHBondContact O-ND2 2.9Å
560	G	85.2	Confident	84.4	Confident	7 Å²	7	56.4 Å²	56.4	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-55.5	-48.4	171	0	0	0	0	0	112.6	S556 L557 L558 N563 M564	S556-G560 PolarHBondContact O-N 3.43Å; L557-G560 PolarHBondContact O-N 3.35Å; L558-G560 VanDerWaalsContact C-N 3.29Å; L558-G560 PolarHBondContact O-N 2.84Å; G560-N563 PolarHBondContact O-N 3.45Å; G560-M564 WeakPolarHBondContact O-CB 3.48Å; G560-M564 PolarHBondContact O-N 2.99Å
561	L	87.2	Confident	84.1	Confident	50 Å²	50	62.7 Å²	62.7	26%	0.262	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-40.1	178.2	-173.7	68	0	0	0	112.7	L525 L557 L558 I559 M564 V565	L525-L561 HydrophobicContact CD2-CD2 4.38Å; L557-L561 PolarHBondContact O-N 3.42Å; L558-L561 PolarHBondContact O-N 2.85Å; I559-L561 PolarHBondContact O-N 2.81Å; L561-M564 HydrophobicContact CD1-SD 4.3Å; L561-M564 WeakPolarHBondContact O-CB 3.33Å; L561-M564 PolarHBondContact O-N 2.95Å; L561-V565 PolarHBondContact O-N 2.93Å
562	I	88.6	Confident	83.8	Confident	93 Å²	93	64.4 Å²	64.4	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-44.1	176.4	-66.3	166.8	0	0	0	110.4	L558 I559 M564 V565 K566	L558-I562 HydrophobicContact CD1-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 4.16Å; L558-I562 WeakPolarHBondContact O-CG1 3.48Å; L558-I562 PolarHBondContact O-N 3.28Å; I559-I562 PolarHBondContact O-N 3.49Å; I562-M564 VanDerWaalsContact C-N 3.33Å; I562-M564 PolarHBondContact O-N 3.5Å; I562-V565 PolarHBondContact O-N 3.22Å; I562-K566 WeakPolarHBondContact O-CB 3.38Å; I562-K566 PolarHBondContact O-N 3.45Å
563	N	88.2	Confident	83.2	Confident	31 Å²	31	59.4 Å²	59.4	17%	0.166	32%	0.322	C	S	.	.	H	α-helix	trans	-69.1	-31.7	180	-73	-15.4	0	0	0	112.6	I559 G560 K566 F567 T568	I559-N563 WeakPolarHBondContact CG2-ND2 3.45Å; I559-N563 VanDerWaalsContact O-CB 3.28Å; I559-N563 WeakPolarHBondContact O-CB 3.43Å; I559-N563 VanDerWaalsContact O-CG 3.22Å; I559-N563 PolarHBondContact O-N 2.98Å; I559-N563 PolarHBondContact O-ND2 2.9Å; G560-N563 PolarHBondContact O-N 3.45Å; N563-K566 PolarHBondContact O-N 3.47Å; N563-F567 PolarHBondContact O-N 3.05Å; N563-T568 PolarHBondContact O-N 3.15Å; N563-T568 VanDerWaalsContact O-N 3.12Å
564	M	89.1	Confident	82.5	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-57	-48.6	171.2	169.3	178.5	-178.2	0	0	110.8	L521 Y524 G560 L561 I562 F567 E593 L596 V597	L521-M564 HydrophobicContact CD2-CE 4.07Å; Y524-M564 HydrophobicContact CD1-CE 4.47Å; Y524-M564 HydrophobicContact CD1-SD 4.09Å; Y524-M564 HydrophobicContact CE1-SD 4.21Å; G560-M564 WeakPolarHBondContact O-CB 3.48Å; G560-M564 PolarHBondContact O-N 2.99Å; L561-M564 HydrophobicContact CD1-SD 4.3Å; L561-M564 WeakPolarHBondContact O-CB 3.33Å; L561-M564 PolarHBondContact O-N 2.95Å; I562-M564 VanDerWaalsContact C-N 3.33Å; I562-M564 PolarHBondContact O-N 3.5Å; M564-F567 PolarHBondContact O-N 2.96Å; M564-E593 HydrophobicContact CG-CB 4.04Å; M564-E593 HydrophobicContact CG-CG 4.21Å; M564-E593 HydrophobicContact SD-CG 4.22Å; M564-L596 HydrophobicContact CE-CB 3.86Å; M564-L596 HydrophobicContact CE-CD1 4.36Å; M564-V597 HydrophobicContact CE-CG2 3.54Å; M564-V597 HydrophobicContact CG-CG2 3.51Å; M564-V597 HydrophobicContact SD-CG2 4.37Å
565	V	87	Confident	81.4	Confident	89 Å²	89	65.9 Å²	65.9	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-72.5	-34.2	179.8	179.8	0	0	0	0	112.2	L561 I562 F567	L561-V565 PolarHBondContact O-N 2.93Å; I562-V565 PolarHBondContact O-N 3.22Å; V565-F567 VanDerWaalsContact C-N 3.3Å; V565-F567 WeakPolarHBondContact O-CD2 3.25Å; V565-F567 PolarHBondContact O-N 3.28Å
566	K	88.6	Confident	80.3	Confident	154 Å²	154	70.6 Å²	70.6	67%	0.67	38%	0.376	S	S	*	.	H	α-helix	trans	-80.9	-5.6	179.5	-165.8	179.4	170.4	-170.4	0	113.5	I562 N563 T568	I562-K566 WeakPolarHBondContact O-CB 3.38Å; I562-K566 PolarHBondContact O-N 3.45Å; N563-K566 PolarHBondContact O-N 3.47Å; K566-T568 PolarHBondContact O-N 2.91Å
567	F	86.9	Confident	79.1	Confident	99 Å²	99	71.6 Å²	71.6	43%	0.434	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.8	-172.8	-59.3	-85	0	0	0	113.4	N563 M564 V565 V597	N563-F567 PolarHBondContact O-N 3.05Å; M564-F567 PolarHBondContact O-N 2.96Å; V565-F567 VanDerWaalsContact C-N 3.3Å; V565-F567 WeakPolarHBondContact O-CD2 3.25Å; V565-F567 PolarHBondContact O-N 3.28Å; F567-V597 HydrophobicContact CE1-CB 4.17Å; F567-V597 HydrophobicContact CE1-CG1 4.21Å; F567-V597 HydrophobicContact CE2-CG1 4.07Å; F567-V597 HydrophobicContact CZ-CB 3.93Å; F567-V597 HydrophobicContact CZ-CG1 3.47Å; F567-V597 VanDerWaalsContact CZ-CG1 3.47Å
568	T	84.8	Confident	77.9	Confident	43 Å²	43	75 Å²	75	26%	0.264	41%	0.413	S	S	.	.			trans	-80	125.2	179	-56.5	0	0	0	0	109.7	N563 K566	N563-T568 PolarHBondContact O-N 3.15Å; N563-T568 VanDerWaalsContact O-N 3.12Å; K566-T568 PolarHBondContact O-N 2.91Å
569	P	79.2	Confident	76.9	Confident	95 Å²	95	73.5 Å²	73.5	62%	0.617	41%	0.409	S	S	*	.			trans	-63	142.5	179.9	26.4	-33.7	0	0	0	110.6	L590	P569-L590 HydrophobicContact CB-CD2 4.36Å
570	R	75.7	Confident	76.1	Confident	21 Å²	21	71.2 Å²	71.2	8%	0.079	40%	0.401	C	S	.	.			trans	-133.1	121	178.3	-67.8	-176.7	-70.3	158	-4.2	108.8	N583 Q589 E593	R570-N583 HydrophobicContact CB-CB 4.42Å; R570-N583 WeakPolarHBondContact CD-O 3.11Å; R570-N583 HydrophobicContact CG-CB 4.22Å; R570-N583 PolarHBondContact NH1-O 2.95Å; R570-Q589 VanDerWaalsContact NH2-NE2 3.11Å; R570-E593 IonicContact CZ-OE1 3.74Å; R570-E593 IonicContact CZ-OE2 2.65Å; R570-E593 IonicContact NH2-OE1 3.86Å; R570-E593 PolarHBondContact NH2-OE1 3.04Å; R570-E593 IonicContact NH2-OE2 2.57Å; R570-E593 PolarHBondContact NH2-OE2 2.86Å
571	D	71.4	Confident	74.9	Confident	133 Å²	133	74.2 Å²	74.2	71%	0.711	43%	0.425	S	S	*	.			trans	-79.1	137.9	179.7	-59.1	-35.6	0	0	0	110.4
572	Y	71.9	Confident	73.9	Confident	75 Å²	75	72.1 Å²	72.1	29%	0.294	41%	0.414	S	S	.	.			trans	-109.3	127.1	173.4	179.3	-91.8	0	0	0	108.1	V545 F574 A584 P587	V545-Y572 PolarHBondContact O-OH 3.23Å; Y572-F574 HydrophobicContact CD2-CE2 4.32Å; Y572-F574 HydrophobicContact CE2-CD2 4.2Å; Y572-F574 AromaticContact CE2-CE2 3.48Å; Y572-F574 HydrophobicContact CE2-CE2 3.48Å; Y572-F574 VanDerWaalsContact CE2-CE2 3.48Å; Y572-F574 HydrophobicContact CE2-CZ 4.19Å; Y572-F574 AromaticContact CZ-CE2 3.73Å; Y572-A584 HydrophobicContact CD2-CB 4Å; Y572-P587 HydrophobicContact CD1-CB 4.01Å; Y572-P587 HydrophobicContact CE1-CB 3.91Å; Y572-P587 HydrophobicContact CE1-CG 4.34Å; Y572-P587 HydrophobicContact CG-CB 4.49Å
573	G	66.5	Low	73.1	Confident	24 Å²	24	72.2 Å²	72.2	25%	0.247	42%	0.415	C	S	.	.			trans	165.5	98.7	-177	0	0	0	0	0	111.4	D575 T582	G573-D575 PolarHBondContact O-N 3.41Å; G573-D575 VanDerWaalsContact O-N 3.11Å; G573-T582 WeakPolarHBondContact O-CG2 3.49Å
574	F	64.9	Low	72.6	Confident	24 Å²	24	70.9 Å²	70.9	11%	0.105	41%	0.409	C	S	.	.			trans	-83.3	33.1	179	-61	-77.3	0	0	0	112.2	Y547 Y548 P549 Y572 D576 T582	Y547-F574 WeakPolarHBondContact O-CD2 3.13Å; Y547-F574 WeakPolarHBondContact O-CE2 3.38Å; Y547-F574 WeakPolarHBondContact O-CG 3.46Å; Y548-F574 HydrophobicContact CD1-CE2 4.18Å; Y548-F574 AromaticContact CD1-CZ 3.87Å; Y548-F574 HydrophobicContact CD1-CZ 3.87Å; Y548-F574 HydrophobicContact CE1-CE2 4.08Å; Y548-F574 AromaticContact CE1-CZ 3.92Å; Y548-F574 HydrophobicContact CE1-CZ 3.92Å; P549-F574 HydrophobicContact CG-CD1 3.79Å; P549-F574 HydrophobicContact CG-CE1 4.36Å; P549-F574 HydrophobicContact CG-CG 4.48Å; Y572-F574 HydrophobicContact CD2-CE2 4.32Å; Y572-F574 HydrophobicContact CE2-CD2 4.2Å; Y572-F574 AromaticContact CE2-CE2 3.48Å; Y572-F574 HydrophobicContact CE2-CE2 3.48Å; Y572-F574 VanDerWaalsContact CE2-CE2 3.48Å; Y572-F574 HydrophobicContact CE2-CZ 4.19Å; Y572-F574 AromaticContact CZ-CE2 3.73Å; F574-D576 VanDerWaalsContact C-N 3.31Å; F574-D576 PolarHBondContact O-N 3.46Å; F574-T582 HydrophobicContact CD1-CG2 4.08Å; F574-T582 VanDerWaalsContact CD1-OG1 3.3Å; F574-T582 WeakPolarHBondContact CD1-OG1 3.43Å; F574-T582 HydrophobicContact CE1-CG2 4.35Å; F574-T582 WeakPolarHBondContact CE1-OG1 3.35Å; F574-T582 HydrophobicContact CG-CG2 4.38Å
575	D	60	Low	72.2	Confident	147 Å²	147	70.8 Å²	70.8	79%	0.786	41%	0.408	S	S	*	.			trans	-67.8	-32.6	-166.7	-62.1	-21.6	0	0	0	112	G573	G573-D575 PolarHBondContact O-N 3.41Å; G573-D575 VanDerWaalsContact O-N 3.11Å
576	D	62.4	Low	72.1	Confident	106 Å²	106	68.4 Å²	68.4	57%	0.567	39%	0.39	S	S	*	.			trans	-114.9	106.3	172.9	-78.5	-27.4	0	0	0	111.1	F574 A578 T579	F574-D576 VanDerWaalsContact C-N 3.31Å; F574-D576 PolarHBondContact O-N 3.46Å; D576-A578 PolarHBondContact O-N 2.88Å; D576-A578 VanDerWaalsContact O-N 3.15Å; D576-T579 WeakPolarHBondContact CB-OG1 3.22Å; D576-T579 PolarHBondContact O-N 3.14Å
577	P	61.3	Low	71.8	Confident	75 Å²	75	64.1 Å²	64.1	49%	0.487	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.1	177.8	22.6	-30.5	0	0	0	113.2	P549	P549-P577 HydrophobicContact CB-CB 4.22Å
578	A	63.1	Low	71.6	Confident	96 Å²	96	62.2 Å²	62.2	79%	0.793	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-30.9	-179	0	0	0	0	0	114	D576	D576-A578 PolarHBondContact O-N 2.88Å; D576-A578 VanDerWaalsContact O-N 3.15Å
579	T	65.6	Low	71.7	Confident	89 Å²	89	60.4 Å²	60.4	55%	0.546	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.1	-173.2	51.1	0	0	0	0	113.2	D576 A581	D576-T579 WeakPolarHBondContact CB-OG1 3.22Å; D576-T579 PolarHBondContact O-N 3.14Å; T579-A581 PolarHBondContact O-N 2.82Å
580	C	69.7	Low	72	Confident	42 Å²	42	59.1 Å²	59.1	28%	0.284	36%	0.362	S	S	.	.			trans	38.9	45.1	-177.9	-66.2	0	0	0	0	112.3	H552 C553 T582	H552-C580 PolarHBondContact CD2-SG 2.93Å; C553-C580 WeakPolarHBondContact CA-SG 3.4Å; C553-C580 HydrophobicContact CB-CB 3.69Å; C553-C580 WeakPolarHBondContact CB-SG 3.38Å; C553-C580 VanDerWaalsContact SG-CA 3.55Å; C553-C580 WeakPolarHBondContact SG-CB 3.4Å; C553-C580 CovalentContact SG-SG 2.04Å; C553-C580 PolarHBondContact SG-SG 2.89Å; C580-T582 PolarHBondContact O-N 3.45Å
581	A	61.6	Low	72.6	Confident	70 Å²	70	60.5 Å²	60.5	58%	0.579	38%	0.383	S	S	*	.			trans	-67	-6.8	-168.5	0	0	0	0	0	113.8	T579	T579-A581 PolarHBondContact O-N 2.82Å
582	T	66.6	Low	73.6	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.031	37%	0.369	C	S	.	.			trans	-93.8	129.8	-173.4	59.6	0	0	0	0	113.2	G573 F574 C580	G573-T582 WeakPolarHBondContact O-CG2 3.49Å; F574-T582 HydrophobicContact CD1-CG2 4.08Å; F574-T582 VanDerWaalsContact CD1-OG1 3.3Å; F574-T582 WeakPolarHBondContact CD1-OG1 3.43Å; F574-T582 HydrophobicContact CE1-CG2 4.35Å; F574-T582 WeakPolarHBondContact CE1-OG1 3.35Å; F574-T582 HydrophobicContact CG-CG2 4.38Å; C580-T582 PolarHBondContact O-N 3.45Å
583	N	71.2	Confident	74.5	Confident	95 Å²	95	55.3 Å²	55.3	51%	0.508	36%	0.355	S	S	.	.			trans	-108.1	8.7	170.6	-73.5	-51.3	0	0	0	112.6	R570	R570-N583 HydrophobicContact CB-CB 4.42Å; R570-N583 WeakPolarHBondContact CD-O 3.11Å; R570-N583 HydrophobicContact CG-CB 4.22Å; R570-N583 PolarHBondContact NH1-O 2.95Å
584	A	77.9	Confident	75.7	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	35%	0.354	C	S	.	.			trans	-106.5	141.5	-179.5	0	0	0	0	0	111.8	Y572	Y572-A584 HydrophobicContact CD2-CB 4Å
585	F	80.3	Confident	77	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	37%	0.374	C	S	.	.	S	Bend	trans	-82	-35.7	179.6	-74.6	-90	0	0	0	112.7	M528 Y531 K532 F536 Y548 P555 L557	M528-F585 HydrophobicContact SD-CD2 4.48Å; M528-F585 HydrophobicContact SD-CG 4.42Å; Y531-F585 HydrophobicContact CD1-CB 4.28Å; Y531-F585 HydrophobicContact CD1-CD1 4.17Å; Y531-F585 HydrophobicContact CE1-CB 4.07Å; K532-F585 HydrophobicContact CB-CE1 4.04Å; K532-F585 HydrophobicContact CD-CE1 4.18Å; K532-F585 HydrophobicContact CG-CE1 4.23Å; F536-F585 AromaticContact CE2-CD1 3.83Å; F536-F585 HydrophobicContact CE2-CD1 3.83Å; F536-F585 HydrophobicContact CE2-CE1 4.08Å; Y548-F585 WeakPolarHBondContact CE1-O 3.35Å; Y548-F585 PolarHBondContact OH-O 2.95Å; P555-F585 HydrophobicContact CB-CD2 4.36Å; P555-F585 HydrophobicContact CB-CE1 4.37Å; P555-F585 HydrophobicContact CB-CE2 3.87Å; P555-F585 HydrophobicContact CB-CZ 3.86Å; P555-F585 HydrophobicContact CG-CE1 4.48Å; P555-F585 HydrophobicContact CG-CE2 4.47Å; P555-F585 HydrophobicContact CG-CZ 4.42Å; L557-F585 HydrophobicContact CD2-CE1 4.21Å; L557-F585 HydrophobicContact CD2-CE2 4.33Å; L557-F585 HydrophobicContact CD2-CZ 3.64Å; L557-F585 HydrophobicContact CG-CZ 4.27Å
586	Y	84.1	Confident	78.6	Confident	39 Å²	39	54.1 Å²	54.1	15%	0.153	34%	0.341	C	S	.	.	S	Bend	trans	-150.6	154.8	-175.7	62.3	-91.4	0	0	0	110.6	Y524 M528 Q589 F592	Y524-Y586 PolarHBondContact OH-OH 3.23Å; M528-Y586 HydrophobicContact CE-CD1 4.46Å; M528-Y586 HydrophobicContact CE-CE1 3.83Å; M528-Y586 HydrophobicContact SD-CE1 3.96Å; Y586-Q589 HydrophobicContact CD1-CB 4.32Å; Y586-Q589 HydrophobicContact CD2-CB 4.14Å; Y586-Q589 HydrophobicContact CE1-CB 4.04Å; Y586-Q589 HydrophobicContact CE1-CG 3.9Å; Y586-Q589 HydrophobicContact CE2-CB 3.87Å; Y586-Q589 HydrophobicContact CE2-CG 4.44Å; Y586-Q589 HydrophobicContact CG-CB 4.35Å; Y586-Q589 WeakPolarHBondContact O-CB 3.25Å; Y586-Q589 PolarHBondContact O-N 3.47Å; Y586-F592 WeakPolarHBondContact OH-CD1 3.48Å
587	P	82	Confident	80	Confident	64 Å²	64	49.6 Å²	49.6	42%	0.416	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	136.4	179.6	27.9	-32.3	0	0	0	110.2	V545 Y572 Q589	V545-P587 HydrophobicContact CG1-CG 3.69Å; Y572-P587 HydrophobicContact CD1-CB 4.01Å; Y572-P587 HydrophobicContact CE1-CB 3.91Å; Y572-P587 HydrophobicContact CE1-CG 4.34Å; Y572-P587 HydrophobicContact CG-CB 4.49Å; P587-Q589 VanDerWaalsContact C-N 3.34Å
588	G	84	Confident	81.5	Confident	58 Å²	58	50.3 Å²	50.3	60%	0.598	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	8.8	-177.7	0	0	0	0	0	115.3	L590 G591 F592	G588-L590 VanDerWaalsContact C-N 3.3Å; G588-L590 PolarHBondContact O-N 3.22Å; G588-G591 PolarHBondContact O-N 3.2Å; G588-F592 PolarHBondContact O-N 3.46Å
589	Q	87.3	Confident	83	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-53.4	-43.3	178.5	178.8	171	13	0	0	113.2	Y524 R570 Y586 P587 G591 F592 E593	Y524-Q589 PolarHBondContact OH-NE2 3.4Å; R570-Q589 VanDerWaalsContact NH2-NE2 3.11Å; Y586-Q589 HydrophobicContact CD1-CB 4.32Å; Y586-Q589 HydrophobicContact CD2-CB 4.14Å; Y586-Q589 HydrophobicContact CE1-CB 4.04Å; Y586-Q589 HydrophobicContact CE1-CG 3.9Å; Y586-Q589 HydrophobicContact CE2-CB 3.87Å; Y586-Q589 HydrophobicContact CE2-CG 4.44Å; Y586-Q589 HydrophobicContact CG-CB 4.35Å; Y586-Q589 WeakPolarHBondContact O-CB 3.25Å; Y586-Q589 PolarHBondContact O-N 3.47Å; P587-Q589 VanDerWaalsContact C-N 3.34Å; Q589-G591 VanDerWaalsContact C-N 3.34Å; Q589-G591 PolarHBondContact O-N 3.14Å; Q589-F592 PolarHBondContact O-N 3.07Å; Q589-E593 HydrophobicContact CG-CG 4.07Å; Q589-E593 WeakPolarHBondContact CG-OE1 3.46Å; Q589-E593 PolarHBondContact NE2-OE1 3.48Å; Q589-E593 WeakPolarHBondContact O-CB 3.24Å; Q589-E593 WeakPolarHBondContact O-CG 3.35Å; Q589-E593 PolarHBondContact O-N 3.16Å
590	L	85.3	Confident	84.2	Confident	68 Å²	68	43.1 Å²	43.1	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-58.7	-43.7	-179.4	-178.9	66.7	0	0	0	112.3	P569 G588 S594	P569-L590 HydrophobicContact CB-CD2 4.36Å; G588-L590 VanDerWaalsContact C-N 3.3Å; G588-L590 PolarHBondContact O-N 3.22Å; L590-S594 VanDerWaalsContact O-CB 3.26Å; L590-S594 WeakPolarHBondContact O-CB 3.34Å; L590-S594 PolarHBondContact O-N 3.47Å; L590-S594 PolarHBondContact O-OG 3.32Å
591	G	88.6	Confident	85.2	Confident	50 Å²	50	45.8 Å²	45.8	52%	0.515	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-43	179.5	0	0	0	0	0	112	G588 Q589 F595	G588-G591 PolarHBondContact O-N 3.2Å; Q589-G591 VanDerWaalsContact C-N 3.34Å; Q589-G591 PolarHBondContact O-N 3.14Å; G591-F595 PolarHBondContact O-N 3.24Å; G591-F595 VanDerWaalsContact O-N 3.08Å
592	F	91.3	Very high	86.7	Confident	95 Å²	95	47.3 Å²	47.3	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-45.4	178.6	-173.1	-104.8	0	0	0	112.5	Y524 Y586 G588 Q589 F595 L596	Y524-F592 HydrophobicContact CD2-CD1 4.46Å; Y524-F592 AromaticContact CD2-CE1 3.89Å; Y524-F592 HydrophobicContact CD2-CE1 3.89Å; Y524-F592 AromaticContact CE2-CD1 3.85Å; Y524-F592 HydrophobicContact CE2-CD1 3.85Å; Y524-F592 AromaticContact CE2-CE1 3.66Å; Y524-F592 HydrophobicContact CE2-CE1 3.66Å; Y586-F592 WeakPolarHBondContact OH-CD1 3.48Å; G588-F592 PolarHBondContact O-N 3.46Å; Q589-F592 PolarHBondContact O-N 3.07Å; F592-F595 WeakPolarHBondContact O-CB 3.4Å; F592-F595 PolarHBondContact O-N 3.2Å; F592-L596 HydrophobicContact CD1-CD1 3.81Å; F592-L596 HydrophobicContact CD1-CG 4.25Å; F592-L596 HydrophobicContact CE1-CD1 3.43Å; F592-L596 VanDerWaalsContact CE1-CD1 3.43Å; F592-L596 HydrophobicContact CE1-CD2 4.38Å; F592-L596 HydrophobicContact CE1-CG 4Å; F592-L596 HydrophobicContact CZ-CD1 4.1Å; F592-L596 HydrophobicContact CZ-CD2 4.22Å; F592-L596 HydrophobicContact CZ-CG 4.29Å; F592-L596 WeakPolarHBondContact O-CG 3.38Å; F592-L596 PolarHBondContact O-N 3.37Å
593	E	91.4	Very high	87.9	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.2	-78.4	-177.3	-179.5	0	0	112.6	Y524 M564 R570 Q589 F595 L596 V597	Y524-E593 HydrophobicContact CE1-CG 3.85Å; Y524-E593 WeakPolarHBondContact OH-CG 3.18Å; Y524-E593 PolarHBondContact OH-OE1 2.82Å; M564-E593 HydrophobicContact CG-CB 4.04Å; M564-E593 HydrophobicContact CG-CG 4.21Å; M564-E593 HydrophobicContact SD-CG 4.22Å; R570-E593 IonicContact CZ-OE1 3.74Å; R570-E593 IonicContact CZ-OE2 2.65Å; R570-E593 IonicContact NH2-OE1 3.86Å; R570-E593 PolarHBondContact NH2-OE1 3.04Å; R570-E593 IonicContact NH2-OE2 2.57Å; R570-E593 PolarHBondContact NH2-OE2 2.86Å; Q589-E593 HydrophobicContact CG-CG 4.07Å; Q589-E593 WeakPolarHBondContact CG-OE1 3.46Å; Q589-E593 PolarHBondContact NE2-OE1 3.48Å; Q589-E593 WeakPolarHBondContact O-CB 3.24Å; Q589-E593 WeakPolarHBondContact O-CG 3.35Å; Q589-E593 PolarHBondContact O-N 3.16Å; E593-F595 VanDerWaalsContact C-N 3.27Å; E593-F595 PolarHBondContact O-N 3.4Å; E593-L596 PolarHBondContact O-N 3.19Å; E593-L596 VanDerWaalsContact O-N 3.15Å; E593-V597 WeakPolarHBondContact O-CG2 3.28Å; E593-V597 PolarHBondContact O-N 3.21Å
594	S	90.4	Very high	88.8	Confident	30 Å²	30	44.5 Å²	44.5	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-42.1	176.2	-59.8	0	0	0	0	110.8	L590 V597 I598	L590-S594 VanDerWaalsContact O-CB 3.26Å; L590-S594 WeakPolarHBondContact O-CB 3.34Å; L590-S594 PolarHBondContact O-N 3.47Å; L590-S594 PolarHBondContact O-OG 3.32Å; S594-V597 PolarHBondContact O-N 3.33Å; S594-I598 WeakPolarHBondContact O-CD1 3.34Å; S594-I598 WeakPolarHBondContact O-CG1 3.44Å; S594-I598 PolarHBondContact O-N 2.96Å
595	F	93.3	Very high	89.4	Confident	123 Å²	123	47.1 Å²	47.1	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-50.5	172.7	172.4	-100.6	0	0	0	111.6	G591 F592 E593 V597 I598 V599	G591-F595 PolarHBondContact O-N 3.24Å; G591-F595 VanDerWaalsContact O-N 3.08Å; F592-F595 WeakPolarHBondContact O-CB 3.4Å; F592-F595 PolarHBondContact O-N 3.2Å; E593-F595 VanDerWaalsContact C-N 3.27Å; E593-F595 PolarHBondContact O-N 3.4Å; F595-V597 VanDerWaalsContact C-N 3.35Å; F595-V597 PolarHBondContact O-N 3.37Å; F595-I598 PolarHBondContact O-N 2.94Å; F595-V599 HydrophobicContact CD1-CG2 4.41Å; F595-V599 HydrophobicContact CD2-CG2 4.15Å; F595-V599 HydrophobicContact CE1-CG2 4.05Å; F595-V599 HydrophobicContact CE2-CG2 3.77Å; F595-V599 HydrophobicContact CG-CG2 4.46Å; F595-V599 HydrophobicContact CZ-CG2 3.71Å; F595-V599 VanDerWaalsContact O-CG2 3.31Å; F595-V599 WeakPolarHBondContact O-CG2 3.18Å; F595-V599 PolarHBondContact O-N 3.14Å
596	L	93.1	Very high	89.9	Confident	17 Å²	17	50 Å²	50	9%	0.089	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-42.5	179.9	-69.1	179.3	0	0	0	113	C520 Y524 M564 F592 E593 V599 A600	C520-L596 HydrophobicContact CB-CB 4.23Å; C520-L596 HydrophobicContact CB-CD2 4.26Å; Y524-L596 HydrophobicContact CD1-CD1 4.29Å; Y524-L596 HydrophobicContact CD2-CD1 3.73Å; Y524-L596 HydrophobicContact CE2-CD1 4.19Å; Y524-L596 HydrophobicContact CG-CD1 3.77Å; M564-L596 HydrophobicContact CE-CB 3.86Å; M564-L596 HydrophobicContact CE-CD1 4.36Å; F592-L596 HydrophobicContact CD1-CD1 3.81Å; F592-L596 HydrophobicContact CD1-CG 4.25Å; F592-L596 HydrophobicContact CE1-CD1 3.43Å; F592-L596 VanDerWaalsContact CE1-CD1 3.43Å; F592-L596 HydrophobicContact CE1-CD2 4.38Å; F592-L596 HydrophobicContact CE1-CG 4Å; F592-L596 HydrophobicContact CZ-CD1 4.1Å; F592-L596 HydrophobicContact CZ-CD2 4.22Å; F592-L596 HydrophobicContact CZ-CG 4.29Å; F592-L596 WeakPolarHBondContact O-CG 3.38Å; F592-L596 PolarHBondContact O-N 3.37Å; E593-L596 PolarHBondContact O-N 3.19Å; E593-L596 VanDerWaalsContact O-N 3.15Å; L596-V599 PolarHBondContact O-N 3.2Å; L596-A600 WeakPolarHBondContact O-CB 3.32Å; L596-A600 PolarHBondContact O-N 3.35Å
597	V	91.9	Very high	90.2	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-65.5	-43.5	177.9	177.3	0	0	0	0	110.9	M564 F567 E593 S594 F595 V599 A600 V601	M564-V597 HydrophobicContact CE-CG2 3.54Å; M564-V597 HydrophobicContact CG-CG2 3.51Å; M564-V597 HydrophobicContact SD-CG2 4.37Å; F567-V597 HydrophobicContact CE1-CB 4.17Å; F567-V597 HydrophobicContact CE1-CG1 4.21Å; F567-V597 HydrophobicContact CE2-CG1 4.07Å; F567-V597 HydrophobicContact CZ-CB 3.93Å; F567-V597 HydrophobicContact CZ-CG1 3.47Å; F567-V597 VanDerWaalsContact CZ-CG1 3.47Å; E593-V597 WeakPolarHBondContact O-CG2 3.28Å; E593-V597 PolarHBondContact O-N 3.21Å; S594-V597 PolarHBondContact O-N 3.33Å; F595-V597 VanDerWaalsContact C-N 3.35Å; F595-V597 PolarHBondContact O-N 3.37Å; V597-V599 VanDerWaalsContact C-N 3.33Å; V597-V599 PolarHBondContact O-N 2.98Å; V597-A600 PolarHBondContact O-N 3.28Å; V597-V601 HydrophobicContact CG1-CG2 4.33Å; V597-V601 WeakPolarHBondContact O-CG2 3.31Å; V597-V601 PolarHBondContact O-N 3.44Å
598	I	93	Very high	90.5	Very high	90 Å²	90	47 Å²	47	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-60	-45.3	177.8	-69.1	166.1	0	0	0	110.6	S594 F595 V601 L602	S594-I598 WeakPolarHBondContact O-CD1 3.34Å; S594-I598 WeakPolarHBondContact O-CG1 3.44Å; S594-I598 PolarHBondContact O-N 2.96Å; F595-I598 PolarHBondContact O-N 2.94Å; I598-V601 PolarHBondContact O-N 3.22Å; I598-L602 HydrophobicContact CG2-CD1 4.01Å; I598-L602 WeakPolarHBondContact O-CG 3.13Å; I598-L602 PolarHBondContact O-N 3.41Å
599	V	93.4	Very high	90.8	Very high	31 Å²	31	50.1 Å²	50.1	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-40.9	178.7	-168.2	0	0	0	0	110.9	L516 F595 L596 V597 V601 L602 C603	L516-V599 HydrophobicContact CD1-CG1 3.86Å; L516-V599 HydrophobicContact CD2-CB 4.06Å; L516-V599 HydrophobicContact CD2-CG1 3.26Å; L516-V599 HydrophobicContact CG-CG1 4.21Å; F595-V599 HydrophobicContact CD1-CG2 4.41Å; F595-V599 HydrophobicContact CD2-CG2 4.15Å; F595-V599 HydrophobicContact CE1-CG2 4.05Å; F595-V599 HydrophobicContact CE2-CG2 3.77Å; F595-V599 HydrophobicContact CG-CG2 4.46Å; F595-V599 HydrophobicContact CZ-CG2 3.71Å; F595-V599 VanDerWaalsContact O-CG2 3.31Å; F595-V599 WeakPolarHBondContact O-CG2 3.18Å; F595-V599 PolarHBondContact O-N 3.14Å; L596-V599 PolarHBondContact O-N 3.2Å; V597-V599 VanDerWaalsContact C-N 3.33Å; V597-V599 PolarHBondContact O-N 2.98Å; V599-V601 VanDerWaalsContact C-N 3.34Å; V599-V601 PolarHBondContact O-N 2.9Å; V599-L602 PolarHBondContact O-N 3.34Å; V599-C603 PolarHBondContact O-N 3.35Å; V599-C603 PolarHBondContact O-SG 2.92Å
600	A	91.8	Very high	90.8	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-40.9	175.3	0	0	0	0	0	112.7	F517 C520 L521 L596 V597 C603	F517-A600 HydrophobicContact CD2-CB 4.08Å; F517-A600 HydrophobicContact CE2-CB 4.43Å; C520-A600 HydrophobicContact CB-CB 4.16Å; L521-A600 HydrophobicContact CD2-CB 4.42Å; L521-A600 HydrophobicContact CG-CB 4.37Å; L596-A600 WeakPolarHBondContact O-CB 3.32Å; L596-A600 PolarHBondContact O-N 3.35Å; V597-A600 PolarHBondContact O-N 3.28Å; A600-C603 PolarHBondContact O-N 3.1Å
601	V	91.5	Very high	90.9	Very high	97 Å²	97	50.1 Å²	50.1	59%	0.588	28%	0.28	S	S	*	.	H	α-helix	trans	-66.9	-38.9	176.1	172.1	0	0	0	0	111.4	V597 I598 V599 C603 A604 P605	V597-V601 HydrophobicContact CG1-CG2 4.33Å; V597-V601 WeakPolarHBondContact O-CG2 3.31Å; V597-V601 PolarHBondContact O-N 3.44Å; I598-V601 PolarHBondContact O-N 3.22Å; V599-V601 VanDerWaalsContact C-N 3.34Å; V599-V601 PolarHBondContact O-N 2.9Å; V601-C603 VanDerWaalsContact C-N 3.3Å; V601-C603 PolarHBondContact O-N 3.19Å; V601-A604 PolarHBondContact O-N 3.34Å; V601-P605 WeakPolarHBondContact O-CD 3.37Å
602	L	92.6	Very high	90.8	Very high	102 Å²	102	48.2 Å²	48.2	53%	0.534	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-26.2	177.1	-72.1	172.6	0	0	0	113.2	I598 V599 A604 P605 V606	I598-L602 HydrophobicContact CG2-CD1 4.01Å; I598-L602 WeakPolarHBondContact O-CG 3.13Å; I598-L602 PolarHBondContact O-N 3.41Å; V599-L602 PolarHBondContact O-N 3.34Å; L602-A604 VanDerWaalsContact C-N 3.32Å; L602-A604 PolarHBondContact O-N 3.32Å; L602-P605 VanDerWaalsContact O-CD 3.25Å; L602-P605 WeakPolarHBondContact O-CD 3.42Å; L602-P605 WeakPolarHBondContact O-CG 3.19Å; L602-V606 WeakPolarHBondContact O-CG2 3.13Å; L602-V606 PolarHBondContact O-N 3.24Å
603	C	91.9	Very high	90.6	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-33.3	176.6	-73.5	0	0	0	0	113.7	P513 F517 V599 A600 V601 V606 M607	P513-C603 HydrophobicContact CB-CB 4.16Å; F517-C603 HydrophobicContact CB-CB 4.39Å; V599-C603 PolarHBondContact O-N 3.35Å; V599-C603 PolarHBondContact O-SG 2.92Å; A600-C603 PolarHBondContact O-N 3.1Å; V601-C603 VanDerWaalsContact C-N 3.3Å; V601-C603 PolarHBondContact O-N 3.19Å; C603-V606 PolarHBondContact O-N 3.28Å; C603-M607 WeakPolarHBondContact O-CB 3.26Å; C603-M607 PolarHBondContact O-N 2.95Å
604	A	89.2	Confident	90.4	Very high	32 Å²	32	54.1 Å²	54.1	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-63	-53.3	-179.5	0	0	0	0	0	113.6	V601 L602 V606 M607 L608	V601-A604 PolarHBondContact O-N 3.34Å; L602-A604 VanDerWaalsContact C-N 3.32Å; L602-A604 PolarHBondContact O-N 3.32Å; A604-V606 VanDerWaalsContact C-N 3.3Å; A604-V606 PolarHBondContact O-N 2.88Å; A604-M607 PolarHBondContact O-N 3Å; A604-L608 PolarHBondContact O-N 3.28Å; A604-L608 VanDerWaalsContact O-N 3.09Å
605	P	91.2	Very high	90.2	Very high	58 Å²	58	53.5 Å²	53.5	38%	0.377	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-31.9	175.9	24.3	-31.9	0	0	0	112.6	V601 L602 L608 F609	V601-P605 WeakPolarHBondContact O-CD 3.37Å; L602-P605 VanDerWaalsContact O-CD 3.25Å; L602-P605 WeakPolarHBondContact O-CD 3.42Å; L602-P605 WeakPolarHBondContact O-CG 3.19Å; P605-L608 PolarHBondContact O-N 2.85Å; P605-F609 HydrophobicContact CB-CD2 4.34Å; P605-F609 WeakPolarHBondContact O-CD2 3.41Å; P605-F609 PolarHBondContact O-N 3.39Å
606	V	91.3	Very high	89.8	Confident	63 Å²	63	50.9 Å²	50.9	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-60.9	-47.1	173.8	171.6	0	0	0	0	110.3	P513 L602 C603 A604 L608 T610	P513-V606 HydrophobicContact CG-CG1 3.8Å; L602-V606 WeakPolarHBondContact O-CG2 3.13Å; L602-V606 PolarHBondContact O-N 3.24Å; C603-V606 PolarHBondContact O-N 3.28Å; A604-V606 VanDerWaalsContact C-N 3.3Å; A604-V606 PolarHBondContact O-N 2.88Å; V606-L608 VanDerWaalsContact C-N 3.32Å; V606-L608 PolarHBondContact O-N 3.28Å; V606-T610 WeakPolarHBondContact O-CB 3.15Å; V606-T610 PolarHBondContact O-N 3.47Å; V606-T610 VanDerWaalsContact O-N 3.09Å; V606-T610 PolarHBondContact O-OG1 3.32Å
607	M	89.1	Confident	89.4	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-39.6	177.9	-166.5	-177.6	-45.2	0	0	112	P513 Q514 C603 A604 Q668 T672 F675	P513-M607 HydrophobicContact CB-CB 4.42Å; P513-M607 HydrophobicContact CB-CE 4.21Å; Q514-M607 HydrophobicContact CB-CE 4.5Å; Q514-M607 HydrophobicContact CG-CE 3.51Å; Q514-M607 HydrophobicContact CG-SD 4.1Å; C603-M607 WeakPolarHBondContact O-CB 3.26Å; C603-M607 PolarHBondContact O-N 2.95Å; A604-M607 PolarHBondContact O-N 3Å; M607-Q668 PolarHBondContact O-NE2 2.83Å; M607-T672 HydrophobicContact CB-CG2 4.06Å; M607-T672 HydrophobicContact CG-CG2 4.3Å; M607-T672 HydrophobicContact SD-CG2 4.03Å; M607-F675 HydrophobicContact CE-CD1 3.97Å; M607-F675 HydrophobicContact CE-CE1 4.41Å
608	L	89.4	Confident	89.1	Confident	38 Å²	38	62.4 Å²	62.4	20%	0.199	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-44.7	-175.5	-166.7	126.8	0	0	0	113.2	A604 P605 V606 P612 Q668 A669 T672	A604-L608 PolarHBondContact O-N 3.28Å; A604-L608 VanDerWaalsContact O-N 3.09Å; P605-L608 PolarHBondContact O-N 2.85Å; V606-L608 VanDerWaalsContact C-N 3.32Å; V606-L608 PolarHBondContact O-N 3.28Å; L608-P612 WeakPolarHBondContact O-CD 3.38Å; L608-P612 VanDerWaalsContact O-CG 3.28Å; L608-P612 WeakPolarHBondContact O-CG 3.49Å; L608-Q668 WeakPolarHBondContact O-CG 3.46Å; L608-A669 HydrophobicContact CD1-CB 3.87Å; L608-T672 HydrophobicContact CB-CG2 4.48Å
609	F	89.4	Confident	88.6	Confident	123 Å²	123	61.9 Å²	61.9	54%	0.539	30%	0.298	S	S	.	.	H	α-helix	trans	-98	-27.5	-171.7	-66.6	-66.7	0	0	0	114.6	P605 K611 P612 Y613 L665	P605-F609 HydrophobicContact CB-CD2 4.34Å; P605-F609 WeakPolarHBondContact O-CD2 3.41Å; P605-F609 PolarHBondContact O-N 3.39Å; F609-K611 PolarHBondContact O-N 3.05Å; F609-P612 WeakPolarHBondContact O-CD 3.49Å; F609-P612 WeakPolarHBondContact O-CG 3.37Å; F609-Y613 WeakPolarHBondContact O-CB 3.2Å; F609-Y613 PolarHBondContact O-N 3.42Å; F609-L665 HydrophobicContact CD1-CD1 4.49Å
610	T	88.1	Confident	88.1	Confident	33 Å²	33	66.9 Å²	66.9	20%	0.202	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-46.7	-168.6	-59.4	0	0	0	0	112.5	V606 F614	V606-T610 WeakPolarHBondContact O-CB 3.15Å; V606-T610 PolarHBondContact O-N 3.47Å; V606-T610 VanDerWaalsContact O-N 3.09Å; V606-T610 PolarHBondContact O-OG1 3.32Å; T610-F614 HydrophobicContact CG2-CD2 3.55Å; T610-F614 HydrophobicContact CG2-CE2 3.43Å; T610-F614 VanDerWaalsContact CG2-CE2 3.43Å; T610-F614 WeakPolarHBondContact O-CD2 3.29Å; T610-F614 PolarHBondContact O-N 3.42Å
611	K	86.3	Confident	87.6	Confident	40 Å²	40	71.4 Å²	71.4	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-57.2	178.6	175.5	160.6	-177.1	169	0	113.3	L505 D506 M510 F609 Y613 F614 I615	L505-K611 HydrophobicContact CD2-CB 4.22Å; L505-K611 HydrophobicContact CD2-CD 4.04Å; L505-K611 HydrophobicContact CD2-CG 3.77Å; D506-K611 WeakPolarHBondContact OD1-CE 3.5Å; D506-K611 IonicContact OD1-NZ 3.5Å; D506-K611 PolarHBondContact OD1-NZ 2.89Å; M510-K611 HydrophobicContact CE-CD 3.58Å; F609-K611 PolarHBondContact O-N 3.05Å; K611-Y613 PolarHBondContact O-N 2.91Å; K611-F614 PolarHBondContact O-N 3.12Å; K611-I615 HydrophobicContact CG-CD1 3.81Å; K611-I615 WeakPolarHBondContact O-CG1 3.47Å; K611-I615 PolarHBondContact O-N 3.36Å
612	P	86.9	Confident	86.9	Confident	10 Å²	10	70 Å²	70	7%	0.065	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-34.8	179.5	21.3	-31.6	0	0	0	112.1	L608 F609 H616 I664 L665	L608-P612 WeakPolarHBondContact O-CD 3.38Å; L608-P612 VanDerWaalsContact O-CG 3.28Å; L608-P612 WeakPolarHBondContact O-CG 3.49Å; F609-P612 WeakPolarHBondContact O-CD 3.49Å; F609-P612 WeakPolarHBondContact O-CG 3.37Å; P612-H616 VanDerWaalsContact O-CB 3.31Å; P612-H616 WeakPolarHBondContact O-CB 3.5Å; P612-H616 PolarHBondContact O-N 3.21Å; P612-I664 HydrophobicContact CB-CG2 4.2Å; P612-L665 HydrophobicContact CG-CD1 4.05Å
613	Y	88.4	Confident	85.9	Confident	138 Å²	138	70.2 Å²	70.2	54%	0.541	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-47.9	175.8	178.3	-98	0	0	0	112.6	F609 K611 H616 R617	F609-Y613 WeakPolarHBondContact O-CB 3.2Å; F609-Y613 PolarHBondContact O-N 3.42Å; K611-Y613 PolarHBondContact O-N 2.91Å; Y613-H616 PolarHBondContact O-N 3.21Å; Y613-R617 WeakPolarHBondContact O-CB 3.39Å; Y613-R617 PolarHBondContact O-N 3.27Å
614	F	87.1	Confident	84.7	Confident	86 Å²	86	79.5 Å²	79.5	38%	0.377	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-38.4	178.8	-84.5	-63.7	0	0	0	112.7	L505 T610 K611 R617 R618	L505-F614 HydrophobicContact CD1-CB 3.92Å; T610-F614 HydrophobicContact CG2-CD2 3.55Å; T610-F614 HydrophobicContact CG2-CE2 3.43Å; T610-F614 VanDerWaalsContact CG2-CE2 3.43Å; T610-F614 WeakPolarHBondContact O-CD2 3.29Å; T610-F614 PolarHBondContact O-N 3.42Å; K611-F614 PolarHBondContact O-N 3.12Å; F614-R617 PolarHBondContact O-N 2.65Å; F614-R618 WeakPolarHBondContact O-CG 3.21Å; F614-R618 PolarHBondContact O-N 3.28Å
615	I	84.7	Confident	83.3	Confident	16 Å²	16	83.8 Å²	83.8	8%	0.082	40%	0.4	C	S	.	.	H	α-helix	trans	-64.2	-47.5	176	-66.6	170.9	0	0	0	110.3	L505 K611 R617 R618 R619 I664	L505-I615 HydrophobicContact CD1-CG1 4.22Å; K611-I615 HydrophobicContact CG-CD1 3.81Å; K611-I615 WeakPolarHBondContact O-CG1 3.47Å; K611-I615 PolarHBondContact O-N 3.36Å; I615-R617 VanDerWaalsContact C-N 3.33Å; I615-R617 PolarHBondContact O-N 3.25Å; I615-R618 PolarHBondContact O-N 3.48Å; I615-R619 PolarHBondContact O-N 2.92Å; I615-I664 HydrophobicContact CD1-CG2 4.36Å; I615-I664 HydrophobicContact CG2-CD1 4.25Å
616	H	84.8	Confident	81.2	Confident	68 Å²	68	83.7 Å²	83.7	32%	0.315	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-44.1	176.6	-178.3	53.4	0	0	0	112.4	P612 Y613 R619 K620 I661	P612-H616 VanDerWaalsContact O-CB 3.31Å; P612-H616 WeakPolarHBondContact O-CB 3.5Å; P612-H616 PolarHBondContact O-N 3.21Å; Y613-H616 PolarHBondContact O-N 3.21Å; H616-R619 PolarHBondContact O-N 3.44Å; H616-K620 WeakPolarHBondContact NE2-CE 3.49Å; H616-K620 PolarHBondContact O-N 3.38Å; H616-I661 HydrophobicContact CB-CD1 4.35Å; H616-I661 WeakPolarHBondContact ND1-CD1 3.44Å
617	R	86.3	Confident	78.9	Confident	121 Å²	121	89.4 Å²	89.4	46%	0.457	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-43.4	177.1	-175.5	176.8	174.9	176.4	0.3	111.8	Y613 F614 I615 K620 Q621	Y613-R617 WeakPolarHBondContact O-CB 3.39Å; Y613-R617 PolarHBondContact O-N 3.27Å; F614-R617 PolarHBondContact O-N 2.65Å; I615-R617 VanDerWaalsContact C-N 3.33Å; I615-R617 PolarHBondContact O-N 3.25Å; R617-K620 PolarHBondContact O-N 3.13Å; R617-Q621 WeakPolarHBondContact O-CG 3.34Å; R617-Q621 PolarHBondContact O-N 3.28Å
618	R	85.2	Confident	76.6	Confident	149 Å²	149	94.1 Å²	94.1	56%	0.562	46%	0.46	S	S	*	.	H	α-helix	trans	-62.2	-43.4	175.4	-77.9	-179.6	177.2	-178.4	-1.2	111.9	F614 I615 K620 Q621 A622	F614-R618 WeakPolarHBondContact O-CG 3.21Å; F614-R618 PolarHBondContact O-N 3.28Å; I615-R618 PolarHBondContact O-N 3.48Å; R618-K620 PolarHBondContact O-N 3.2Å; R618-Q621 PolarHBondContact O-N 3.46Å; R618-A622 WeakPolarHBondContact O-CB 3Å; R618-A622 PolarHBondContact O-N 2.53Å
619	R	82	Confident	74.2	Confident	79 Å²	79	96.5 Å²	96.5	30%	0.298	48%	0.479	S	S	.	.	H	α-helix	trans	-60.4	-45.2	176.2	-72.7	-174.1	-179.2	175.9	6.9	111.8	I615 H616 Q621 A622 S623 D657 L659	I615-R619 PolarHBondContact O-N 2.92Å; H616-R619 PolarHBondContact O-N 3.44Å; R619-Q621 PolarHBondContact O-N 3.23Å; R619-A622 PolarHBondContact O-N 3.3Å; R619-S623 WeakPolarHBondContact O-CB 3.24Å; R619-S623 PolarHBondContact O-N 3.1Å; R619-D657 VanDerWaalsContact NH2-C 3.33Å; R619-D657 PolarHBondContact NH2-O 3.05Å; R619-L659 PolarHBondContact NH1-O 2.91Å; R619-L659 PolarHBondContact NH2-O 3.01Å
620	K	82.4	Confident	71.8	Confident	137 Å²	137	95.1 Å²	95.1	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-60.9	-41.5	175.1	-78.7	-171.8	170.5	-175	0	112.7	H616 R617 R618 S623 Y624	H616-K620 WeakPolarHBondContact NE2-CE 3.49Å; H616-K620 PolarHBondContact O-N 3.38Å; R617-K620 PolarHBondContact O-N 3.13Å; R618-K620 PolarHBondContact O-N 3.2Å; K620-S623 PolarHBondContact O-N 3.42Å; K620-Y624 PolarHBondContact O-N 3.06Å
621	Q	81.6	Confident	69.4	Low	99 Å²	99	103.9 Å²	103.9	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-69	-41.4	177.8	-73.3	177.1	-24.6	0	0	112.4	R617 R618 R619 S623 Y624 N625	R617-Q621 WeakPolarHBondContact O-CG 3.34Å; R617-Q621 PolarHBondContact O-N 3.28Å; R618-Q621 PolarHBondContact O-N 3.46Å; R619-Q621 PolarHBondContact O-N 3.23Å; Q621-S623 VanDerWaalsContact C-N 3.3Å; Q621-S623 PolarHBondContact O-N 3.35Å; Q621-Y624 PolarHBondContact O-N 3.07Å; Q621-Y624 VanDerWaalsContact O-N 3.14Å; Q621-N625 PolarHBondContact O-N 2.88Å
622	A	76.8	Confident	67.2	Low	68 Å²	68	105.9 Å²	105.9	56%	0.562	53%	0.534	S	S	*	.	H	α-helix	trans	-63.3	-36.7	175.4	0	0	0	0	0	112	R618 R619 Y624 G626	R618-A622 WeakPolarHBondContact O-CB 3Å; R618-A622 PolarHBondContact O-N 2.53Å; R619-A622 PolarHBondContact O-N 3.3Å; A622-Y624 VanDerWaalsContact C-N 3.29Å; A622-Y624 PolarHBondContact O-N 3.3Å; A622-G626 PolarHBondContact O-N 2.97Å; A622-G626 VanDerWaalsContact O-N 3.16Å
623	S	71.9	Confident	64.9	Low	105 Å²	105	110.4 Å²	110.4	73%	0.734	56%	0.558	S	S	*	*	H	α-helix	trans	-67.4	-27.9	174.3	-171.2	0	0	0	0	113.2	R619 K620 Q621	R619-S623 WeakPolarHBondContact O-CB 3.24Å; R619-S623 PolarHBondContact O-N 3.1Å; K620-S623 PolarHBondContact O-N 3.42Å; Q621-S623 VanDerWaalsContact C-N 3.3Å; Q621-S623 PolarHBondContact O-N 3.35Å
624	Y	67.3	Low	63.2	Low	206 Å²	206	112.1 Å²	112.1	81%	0.808	58%	0.575	S	S	*	*	H	α-helix	trans	-83.2	-33.8	178.3	-166.5	-94	0	0	0	112.3	K620 Q621 A622	K620-Y624 PolarHBondContact O-N 3.06Å; Q621-Y624 PolarHBondContact O-N 3.07Å; Q621-Y624 VanDerWaalsContact O-N 3.14Å; A622-Y624 VanDerWaalsContact C-N 3.29Å; A622-Y624 PolarHBondContact O-N 3.3Å
625	N	59	Low	61.5	Low	122 Å²	122	117.4 Å²	117.4	65%	0.652	60%	0.598	S	S	*	*	H	α-helix	trans	-90.4	-3.3	-178.4	-75.5	3.9	0	0	0	114.6	Q621 H627	Q621-N625 PolarHBondContact O-N 2.88Å; N625-H627 VanDerWaalsContact C-N 3.3Å; N625-H627 PolarHBondContact O-N 3.47Å
626	G	48	Very low	59.4	Low	55 Å²	55	119.8 Å²	119.8	57%	0.567	62%	0.616	S	S	*	*			trans	-70	81.3	176.6	0	0	0	0	0	112	A622 V628	A622-G626 PolarHBondContact O-N 2.97Å; A622-G626 VanDerWaalsContact O-N 3.16Å; G626-V628 PolarHBondContact O-N 3.31Å
627	H	42.9	Very low	57.6	Low	184 Å²	184	125 Å²	125	85%	0.852	65%	0.646	S	S	*	*			trans	-62.9	117.4	164.8	-96	-89.4	0	0	0	109.2	N625 S629	N625-H627 VanDerWaalsContact C-N 3.3Å; N625-H627 PolarHBondContact O-N 3.47Å; H627-S629 PolarHBondContact O-N 2.96Å
628	V	41.3	Very low	55.4	Low	100 Å²	100	125.5 Å²	125.5	61%	0.606	66%	0.658	S	S	*	*			trans	-65.9	108.4	168.1	-179.5	0	0	0	0	107.8	G626 V630	G626-V628 PolarHBondContact O-N 3.31Å; V628-V630 HydrophobicContact CG1-CG2 3.71Å; V628-V630 PolarHBondContact O-N 3.5Å
629	S	38.1	Very low	53.4	Low	88 Å²	88	122.1 Å²	122.1	62%	0.615	66%	0.662	S	S	*	*			trans	-86.8	102	165.3	58.5	0	0	0	0	108.7	H627	H627-S629 PolarHBondContact O-N 2.96Å
630	V	39	Very low	51.3	Low	93 Å²	93	126 Å²	126	56%	0.564	68%	0.683	S	S	*	*			trans	-83.9	112.9	168.7	-174.7	0	0	0	0	107.4	V628	V628-V630 HydrophobicContact CG1-CG2 3.71Å; V628-V630 PolarHBondContact O-N 3.5Å
631	R	37.3	Very low	49.4	Very low	218 Å²	218	124 Å²	124	82%	0.823	68%	0.682	S	S	*	*			trans	-88.1	104.8	166.2	-172.3	177.2	-179.6	128	-0.8	107.3	D633	R631-D633 PolarHBondContact O-N 2.91Å
632	A	39.6	Very low	47.5	Very low	81 Å²	81	124.6 Å²	124.6	67%	0.669	69%	0.688	S	S	*	*			trans	-73	115.2	168.6	0	0	0	0	0	108.4
633	D	38.7	Very low	45.5	Very low	106 Å²	106	129.1 Å²	129.1	57%	0.567	70%	0.697	S	S	*	*			trans	-83.8	123.9	172.4	-150.6	-5.9	0	0	0	108.9	R631 K635	R631-D633 PolarHBondContact O-N 2.91Å; D633-K635 PolarHBondContact O-N 3.48Å
634	L	53.8	Low	43.7	Very low	174 Å²	174	132 Å²	132	91%	0.911	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	11.3	-169.4	-136.9	85.5	0	0	0	113.6
635	K	49.9	Very low	42	Very low	197 Å²	197	129.9 Å²	129.9	86%	0.857	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	-2.7	-169.3	-77.5	-174.7	175.3	179.5	0	115.3	D633	D633-K635 PolarHBondContact O-N 3.48Å
636	S	41.7	Very low	40.5	Very low	65 Å²	65	133.3 Å²	133.3	46%	0.455	71%	0.705	S	S	.	*			trans	-156	137	177.4	45.8	0	0	0	0	110.4	D638	S636-D638 PolarHBondContact O-N 3.37Å
637	D	47.3	Very low	39.6	Very low	177 Å²	177	137.6 Å²	137.6	95%	0.947	71%	0.708	S	S	*	*	S	Bend	trans	-68.1	8.5	-179.3	-93.7	-17.2	0	0	0	114.5
638	D	40.3	Very low	38.9	Very low	132 Å²	132	137.8 Å²	137.8	71%	0.706	71%	0.709	S	S	*	*			trans	-101.9	110.2	-177	-63.4	-40.5	0	0	0	110.8	S636 E640	S636-D638 PolarHBondContact O-N 3.37Å; D638-E640 PolarHBondContact O-N 3.15Å
639	A	43.4	Very low	38.3	Very low	78 Å²	78	138.9 Å²	138.9	65%	0.645	72%	0.716	S	S	*	*			trans	-87	97.7	173.5	0	0	0	0	0	110.4
640	E	36.8	Very low	37.8	Very low	160 Å²	160	138.3 Å²	138.3	75%	0.748	71%	0.712	S	S	*	*			trans	-86.9	127.4	168.5	-89.3	-171.2	154.6	0	0	111.7	D638 I642	D638-E640 PolarHBondContact O-N 3.15Å; E640-I642 PolarHBondContact O-N 2.99Å
641	V	42.3	Very low	37.3	Very low	95 Å²	95	140 Å²	140	58%	0.576	71%	0.713	S	S	*	*			trans	-84.5	99.9	178.6	-178.1	0	0	0	0	109.3
642	I	41.4	Very low	36.9	Very low	113 Å²	113	133.1 Å²	133.1	58%	0.579	71%	0.711	S	S	*	*			trans	-95.7	111.3	175.9	-58.3	170.3	0	0	0	109.6	E640 H644	E640-I642 PolarHBondContact O-N 2.99Å; I642-H644 PolarHBondContact O-N 2.77Å
643	H	36.7	Very low	36.6	Very low	162 Å²	162	131.1 Å²	131.1	75%	0.75	70%	0.698	S	S	*	*			trans	-76.2	97.4	173.6	-85.9	-73.7	0	0	0	111.3	K645	H643-K645 PolarHBondContact O-N 3.43Å
644	H	33	Very low	36.4	Very low	166 Å²	166	129.5 Å²	129.5	77%	0.769	71%	0.707	S	S	*	*			trans	-76.5	98.7	162.6	-90.8	-80.3	0	0	0	109.8	I642	I642-H644 PolarHBondContact O-N 2.77Å
645	K	31.9	Very low	35.9	Very low	162 Å²	162	127.6 Å²	127.6	70%	0.704	70%	0.697	S	S	*	*			trans	-91.4	96	163.1	-101.1	176.9	175.8	167.6	0	108.3	H643 K647	H643-K645 PolarHBondContact O-N 3.43Å; K645-K647 PolarHBondContact O-N 2.87Å
646	E	27.9	Very low	35.9	Very low	193 Å²	193	123 Å²	123	90%	0.902	68%	0.679	S	S	*	*			trans	-67.6	89	154.5	-76.8	-177.7	163.4	0	0	107.4
647	K	29.3	Very low	36.5	Very low	146 Å²	146	123 Å²	123	64%	0.635	67%	0.674	S	S	*	*			trans	-84.6	113.6	167.6	-88.7	-178.2	173	-180	0	107.3	K645 V649	K645-K647 PolarHBondContact O-N 2.87Å; K647-V649 PolarHBondContact O-N 2.95Å
648	E	28.4	Very low	37.1	Very low	187 Å²	187	120.7 Å²	120.7	87%	0.874	66%	0.661	S	S	*	*			trans	-48	132.6	166.2	-72.1	-176	154.4	0	0	110.2	S650	E648-S650 PolarHBondContact O-N 3.27Å
649	V	27.6	Very low	38.5	Very low	124 Å²	124	116.8 Å²	116.8	75%	0.752	64%	0.64	S	S	*	*			trans	-54.3	96.6	-178.4	-178	0	0	0	0	110.2	K647	K647-V649 PolarHBondContact O-N 2.95Å
650	S	26.9	Very low	40.4	Very low	75 Å²	75	116.3 Å²	116.3	52%	0.524	63%	0.631	S	S	.	*			trans	-103	101.4	164	96.2	0	0	0	0	107.6	R503 E648 G652	R503-S650 PolarHBondContact NH2-OG 3.47Å; E648-S650 PolarHBondContact O-N 3.27Å; S650-G652 PolarHBondContact O-N 3.01Å
651	H	30.4	Very low	42.6	Very low	128 Å²	128	111.8 Å²	111.8	59%	0.593	61%	0.611	S	S	*	*			trans	-54.6	129	173.4	-72.5	-72.7	0	0	0	111.1
652	G	28.8	Very low	44.8	Very low	74 Å²	74	109.4 Å²	109.4	76%	0.763	61%	0.605	S	S	*	*	S	Bend	trans	72.8	52.5	145.8	0	0	0	0	0	118.8	S650	S650-G652 PolarHBondContact O-N 3.01Å
653	G	31.5	Very low	47.2	Very low	40 Å²	40	108.6 Å²	108.6	41%	0.412	60%	0.599	S	S	.	*			trans	-172.7	71.7	168.4	0	0	0	0	0	110.8	R503	R503-G653 PolarHBondContact NH2-O 2.63Å
654	G	34.7	Very low	49.5	Very low	72 Å²	72	101.6 Å²	101.6	74%	0.742	57%	0.567	S	S	*	*			trans	-132.9	81.4	-169.1	0	0	0	0	0	111.1
655	D	44.9	Very low	52.3	Low	133 Å²	133	97 Å²	97	71%	0.711	55%	0.548	S	S	*	.	S	Bend	trans	-158.6	-30.2	152.1	-124.7	-2.2	0	0	0	110.9
656	H	49	Very low	55.1	Low	102 Å²	102	94.3 Å²	94.3	47%	0.472	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-78.3	-21.4	-179.3	-69.4	-66.4	0	0	0	115.7	D658 L659	H656-D658 PolarHBondContact O-N 3.13Å; H656-L659 HydrophobicContact CB-CD1 4Å; H656-L659 WeakPolarHBondContact ND1-CD1 3.22Å; H656-L659 PolarHBondContact O-N 3.49Å
657	D	54	Low	58.1	Low	65 Å²	65	89.2 Å²	89.2	35%	0.348	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-74.3	-8.2	-176.8	-81.8	-21.8	0	0	0	113.3	R503 R619	R503-D657 IonicContact CZ-OD2 3.74Å; R503-D657 IonicContact NH1-OD2 2.72Å; R503-D657 PolarHBondContact NH1-OD2 2.76Å; R619-D657 VanDerWaalsContact NH2-C 3.33Å; R619-D657 PolarHBondContact NH2-O 3.05Å
658	D	61.1	Low	61	Low	127 Å²	127	82.6 Å²	82.6	68%	0.679	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-105.5	-7.3	176.4	-69.9	-36.1	0	0	0	113.1	H656	H656-D658 PolarHBondContact O-N 3.13Å
659	L	67.9	Low	64	Low	50 Å²	50	75 Å²	75	26%	0.262	46%	0.458	S	S	.	.	S	Bend	trans	-64.2	153.3	179.4	-65.9	169.2	0	0	0	112.6	R619 H656 E663 I664	R619-L659 PolarHBondContact NH1-O 2.91Å; R619-L659 PolarHBondContact NH2-O 3.01Å; H656-L659 HydrophobicContact CB-CD1 4Å; H656-L659 WeakPolarHBondContact ND1-CD1 3.22Å; H656-L659 PolarHBondContact O-N 3.49Å; L659-E663 HydrophobicContact CB-CB 4.4Å; L659-E663 VanDerWaalsContact CD2-OE2 3.23Å; L659-E663 WeakPolarHBondContact CD2-OE2 2.87Å; L659-I664 HydrophobicContact CB-CG1 4.15Å
660	P	83.5	Confident	67.1	Low	69 Å²	69	73.5 Å²	73.5	45%	0.448	45%	0.446	S	S	.	.			trans	-57.7	143.4	171	25.5	-34.2	0	0	0	110.4	G662 E663 I664	P660-G662 PolarHBondContact O-N 3.43Å; P660-E663 WeakPolarHBondContact CD-OE2 3.41Å; P660-E663 HydrophobicContact CG-CB 4.06Å; P660-E663 HydrophobicContact CG-CG 3.72Å; P660-E663 WeakPolarHBondContact CG-OE1 3.33Å; P660-E663 PolarHBondContact O-N 3.49Å; P660-I664 PolarHBondContact O-N 3.45Å
661	I	84.7	Confident	70.1	Confident	65 Å²	65	73.1 Å²	73.1	33%	0.333	44%	0.435	S	S	.	.	H	α-helix	trans	-57.8	-30.4	-175.5	-63.9	156.6	0	0	0	111.7	H616 I664 L665	H616-I661 HydrophobicContact CB-CD1 4.35Å; H616-I661 WeakPolarHBondContact ND1-CD1 3.44Å; I661-I664 PolarHBondContact O-N 3.13Å; I661-L665 WeakPolarHBondContact O-CB 3.44Å; I661-L665 PolarHBondContact O-N 3.17Å
662	G	87.9	Confident	73	Confident	44 Å²	44	67.3 Å²	67.3	45%	0.454	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-43.3	174.3	0	0	0	0	0	113	P660 L665 I666	P660-G662 PolarHBondContact O-N 3.43Å; G662-L665 PolarHBondContact O-N 3.2Å; G662-I666 VanDerWaalsContact O-CG1 3.29Å; G662-I666 WeakPolarHBondContact O-CG1 3.36Å; G662-I666 PolarHBondContact O-N 3.17Å
663	E	90.4	Very high	76	Confident	97 Å²	97	68.6 Å²	68.6	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177.4	-73.3	172.6	-160.3	0	0	111.7	L659 P660 L665 I666 L667	L659-E663 HydrophobicContact CB-CB 4.4Å; L659-E663 VanDerWaalsContact CD2-OE2 3.23Å; L659-E663 WeakPolarHBondContact CD2-OE2 2.87Å; P660-E663 WeakPolarHBondContact CD-OE2 3.41Å; P660-E663 HydrophobicContact CG-CB 4.06Å; P660-E663 HydrophobicContact CG-CG 3.72Å; P660-E663 WeakPolarHBondContact CG-OE1 3.33Å; P660-E663 PolarHBondContact O-N 3.49Å; E663-L665 VanDerWaalsContact C-N 3.29Å; E663-L665 PolarHBondContact O-N 2.73Å; E663-I666 PolarHBondContact O-N 3.28Å; E663-L667 WeakPolarHBondContact O-CB 3.27Å; E663-L667 PolarHBondContact O-N 3.49Å
664	I	86.9	Confident	78.8	Confident	14 Å²	14	71.9 Å²	71.9	7%	0.072	40%	0.402	C	S	.	.	H	α-helix	trans	-59.6	-42.7	174.1	-60.4	175.1	0	0	0	110.5	P612 I615 L659 P660 I661 Q668	P612-I664 HydrophobicContact CB-CG2 4.2Å; I615-I664 HydrophobicContact CD1-CG2 4.36Å; I615-I664 HydrophobicContact CG2-CD1 4.25Å; L659-I664 HydrophobicContact CB-CG1 4.15Å; P660-I664 PolarHBondContact O-N 3.45Å; I661-I664 PolarHBondContact O-N 3.13Å; I664-Q668 VanDerWaalsContact O-CB 3.23Å; I664-Q668 WeakPolarHBondContact O-CB 3.48Å; I664-Q668 PolarHBondContact O-N 3.35Å
665	L	89.9	Confident	81.5	Confident	70 Å²	70	69.1 Å²	69.1	37%	0.366	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-42.6	177.8	-175.2	70.1	0	0	0	111.6	F609 P612 I661 G662 E663 A669	F609-L665 HydrophobicContact CD1-CD1 4.49Å; P612-L665 HydrophobicContact CG-CD1 4.05Å; I661-L665 WeakPolarHBondContact O-CB 3.44Å; I661-L665 PolarHBondContact O-N 3.17Å; G662-L665 PolarHBondContact O-N 3.2Å; E663-L665 VanDerWaalsContact C-N 3.29Å; E663-L665 PolarHBondContact O-N 2.73Å; L665-A669 VanDerWaalsContact O-CB 3.28Å; L665-A669 WeakPolarHBondContact O-CB 3.2Å; L665-A669 PolarHBondContact O-N 3.42Å
666	I	91.8	Very high	83.6	Confident	106 Å²	106	64 Å²	64	54%	0.544	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-48.9	177.6	-68	164.7	0	0	0	110.5	G662 E663 Q668 A669 I670	G662-I666 VanDerWaalsContact O-CG1 3.29Å; G662-I666 WeakPolarHBondContact O-CG1 3.36Å; G662-I666 PolarHBondContact O-N 3.17Å; E663-I666 PolarHBondContact O-N 3.28Å; I666-Q668 VanDerWaalsContact C-N 3.32Å; I666-Q668 PolarHBondContact O-N 3.15Å; I666-A669 WeakPolarHBondContact O-CB 3.31Å; I666-A669 PolarHBondContact O-N 3.42Å; I666-A669 VanDerWaalsContact O-N 3.17Å; I666-I670 HydrophobicContact CG2-CD1 3.94Å; I666-I670 WeakPolarHBondContact O-CG1 3.5Å; I666-I670 PolarHBondContact O-N 2.76Å
667	L	89.8	Confident	85.7	Confident	85 Å²	85	64.5 Å²	64.5	45%	0.445	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-43.2	178.8	-175.7	64.7	0	0	0	111.4	E663 I670 H671	E663-L667 WeakPolarHBondContact O-CB 3.27Å; E663-L667 PolarHBondContact O-N 3.49Å; L667-I670 PolarHBondContact O-N 3.37Å; L667-H671 WeakPolarHBondContact O-CB 3.19Å; L667-H671 PolarHBondContact O-N 3.37Å
668	Q	90.2	Very high	87.5	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-66.9	-36.6	176.9	-170.7	63	23.8	0	0	112.4	M607 L608 I664 I666 T672	M607-Q668 PolarHBondContact O-NE2 2.83Å; L608-Q668 WeakPolarHBondContact O-CG 3.46Å; I664-Q668 VanDerWaalsContact O-CB 3.23Å; I664-Q668 WeakPolarHBondContact O-CB 3.48Å; I664-Q668 PolarHBondContact O-N 3.35Å; I666-Q668 VanDerWaalsContact C-N 3.32Å; I666-Q668 PolarHBondContact O-N 3.15Å; Q668-T672 WeakPolarHBondContact O-CB 3.27Å; Q668-T672 PolarHBondContact O-N 2.78Å; Q668-T672 PolarHBondContact O-OG1 2.93Å
669	A	92.1	Very high	88.8	Confident	26 Å²	26	56.5 Å²	56.5	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-64.4	-45.3	175.7	0	0	0	0	0	111.4	L608 L665 I666 T672 I673	L608-A669 HydrophobicContact CD1-CB 3.87Å; L665-A669 VanDerWaalsContact O-CB 3.28Å; L665-A669 WeakPolarHBondContact O-CB 3.2Å; L665-A669 PolarHBondContact O-N 3.42Å; I666-A669 WeakPolarHBondContact O-CB 3.31Å; I666-A669 PolarHBondContact O-N 3.42Å; I666-A669 VanDerWaalsContact O-N 3.17Å; A669-T672 PolarHBondContact O-N 3.47Å; A669-I673 WeakPolarHBondContact O-CG1 3.4Å; A669-I673 PolarHBondContact O-N 2.86Å
670	I	92.1	Very high	90	Very high	94 Å²	94	58.7 Å²	58.7	48%	0.482	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-52.5	175.2	-66.5	166.7	0	0	0	109.9	I666 L667 T672 I673 E674	I666-I670 HydrophobicContact CG2-CD1 3.94Å; I666-I670 WeakPolarHBondContact O-CG1 3.5Å; I666-I670 PolarHBondContact O-N 2.76Å; L667-I670 PolarHBondContact O-N 3.37Å; I670-T672 VanDerWaalsContact C-N 3.3Å; I670-T672 PolarHBondContact O-N 2.98Å; I670-I673 PolarHBondContact O-N 3.02Å; I670-E674 VanDerWaalsContact O-CB 3.3Å; I670-E674 WeakPolarHBondContact O-CB 3.32Å; I670-E674 PolarHBondContact O-N 3.13Å
671	H	89.7	Confident	90.5	Very high	66 Å²	66	58.9 Å²	58.9	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-38.4	-179.8	178.8	-100.1	0	0	0	113	Q514 L667 F675	Q514-H671 PolarHBondContact NE2-CE1 3.24Å; L667-H671 WeakPolarHBondContact O-CB 3.19Å; L667-H671 PolarHBondContact O-N 3.37Å; H671-F675 VanDerWaalsContact O-CB 3.27Å; H671-F675 WeakPolarHBondContact O-CB 3.13Å; H671-F675 PolarHBondContact O-N 3.07Å
672	T	91.2	Very high	90.9	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-45.7	177.9	-55.3	0	0	0	0	111.6	M607 L608 Q668 A669 I670 F675 C676	M607-T672 HydrophobicContact CB-CG2 4.06Å; M607-T672 HydrophobicContact CG-CG2 4.3Å; M607-T672 HydrophobicContact SD-CG2 4.03Å; L608-T672 HydrophobicContact CB-CG2 4.48Å; Q668-T672 WeakPolarHBondContact O-CB 3.27Å; Q668-T672 PolarHBondContact O-N 2.78Å; Q668-T672 PolarHBondContact O-OG1 2.93Å; A669-T672 PolarHBondContact O-N 3.47Å; I670-T672 VanDerWaalsContact C-N 3.3Å; I670-T672 PolarHBondContact O-N 2.98Å; T672-F675 PolarHBondContact O-N 2.8Å; T672-C676 PolarHBondContact O-N 3.46Å; T672-C676 VanDerWaalsContact O-N 3.12Å; T672-C676 PolarHBondContact O-SG 3.39Å; T672-C676 VanDerWaalsContact O-SG 3.34Å
673	I	92.3	Very high	91.1	Very high	102 Å²	102	54.7 Å²	54.7	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-47.4	178.3	-69.4	168.5	0	0	0	110.1	A669 I670 C676 L677	A669-I673 WeakPolarHBondContact O-CG1 3.4Å; A669-I673 PolarHBondContact O-N 2.86Å; I670-I673 PolarHBondContact O-N 3.02Å; I673-C676 PolarHBondContact O-N 3.32Å; I673-L677 HydrophobicContact CG2-CD1 3.78Å; I673-L677 HydrophobicContact CG2-CG 4.41Å; I673-L677 WeakPolarHBondContact O-CB 3.1Å; I673-L677 WeakPolarHBondContact O-CG 3.46Å; I673-L677 PolarHBondContact O-N 3.09Å
674	E	91.6	Very high	91.2	Very high	109 Å²	109	52.8 Å²	52.8	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-49.8	177.7	-173.9	-178.8	170.1	0	0	110.7	I670 C676 L677 S678	I670-E674 VanDerWaalsContact O-CB 3.3Å; I670-E674 WeakPolarHBondContact O-CB 3.32Å; I670-E674 PolarHBondContact O-N 3.13Å; E674-C676 PolarHBondContact O-N 3.2Å; E674-L677 PolarHBondContact O-N 3.41Å; E674-S678 WeakPolarHBondContact O-CA 3.4Å; E674-S678 WeakPolarHBondContact O-CB 3.21Å; E674-S678 PolarHBondContact O-N 3.46Å; E674-S678 PolarHBondContact O-OG 3.22Å
675	F	90	Very high	91.6	Very high	13 Å²	13	53 Å²	53	6%	0.057	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-44.8	-179.4	-179.2	-90.3	0	0	0	112.8	Q514 F517 M607 H671 T672 S679 K761	Q514-F675 HydrophobicContact CB-CE1 3.78Å; Q514-F675 HydrophobicContact CB-CE2 3.84Å; Q514-F675 HydrophobicContact CB-CZ 3.38Å; Q514-F675 HydrophobicContact CG-CD1 3.89Å; Q514-F675 HydrophobicContact CG-CD2 3.89Å; Q514-F675 HydrophobicContact CG-CE1 3.63Å; Q514-F675 HydrophobicContact CG-CE2 3.61Å; Q514-F675 HydrophobicContact CG-CG 4.03Å; Q514-F675 HydrophobicContact CG-CZ 3.48Å; Q514-F675 VanDerWaalsContact CG-CZ 3.48Å; F517-F675 AromaticContact CD1-CE1 3.99Å; F517-F675 HydrophobicContact CD1-CE1 3.99Å; M607-F675 HydrophobicContact CE-CD1 3.97Å; M607-F675 HydrophobicContact CE-CE1 4.41Å; H671-F675 VanDerWaalsContact O-CB 3.27Å; H671-F675 WeakPolarHBondContact O-CB 3.13Å; H671-F675 PolarHBondContact O-N 3.07Å; T672-F675 PolarHBondContact O-N 2.8Å; F675-S679 WeakPolarHBondContact O-CB 3.34Å; F675-S679 PolarHBondContact O-N 2.97Å; F675-S679 PolarHBondContact O-OG 3.46Å; F675-K761 HydrophobicContact CE2-CD 4.11Å
676	C	90.4	Very high	91.9	Very high	25 Å²	25	49.7 Å²	49.7	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-48.3	180	-72.9	0	0	0	0	111.8	F517 T672 I673 E674	F517-C676 HydrophobicContact CZ-CB 4.4Å; T672-C676 PolarHBondContact O-N 3.46Å; T672-C676 VanDerWaalsContact O-N 3.12Å; T672-C676 PolarHBondContact O-SG 3.39Å; T672-C676 VanDerWaalsContact O-SG 3.34Å; I673-C676 PolarHBondContact O-N 3.32Å; E674-C676 PolarHBondContact O-N 3.2Å
677	L	92	Very high	92	Very high	113 Å²	113	47.2 Å²	47.2	59%	0.592	26%	0.264	S	S	*	.	H	α-helix	trans	-68.1	-43.9	179.2	-67.5	177.9	0	0	0	111.7	I673 E674 S679 I680 S681	I673-L677 HydrophobicContact CG2-CD1 3.78Å; I673-L677 HydrophobicContact CG2-CG 4.41Å; I673-L677 WeakPolarHBondContact O-CB 3.1Å; I673-L677 WeakPolarHBondContact O-CG 3.46Å; I673-L677 PolarHBondContact O-N 3.09Å; E674-L677 PolarHBondContact O-N 3.41Å; L677-S679 VanDerWaalsContact C-N 3.3Å; L677-S679 PolarHBondContact O-N 3.31Å; L677-I680 PolarHBondContact O-N 3.29Å; L677-S681 WeakPolarHBondContact O-CB 3.32Å; L677-S681 PolarHBondContact O-N 3.06Å
678	S	91.2	Very high	92.3	Very high	23 Å²	23	45.1 Å²	45.1	16%	0.161	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-32.3	179.1	-66.8	0	0	0	0	111.8	E674 I680 S681 H682	E674-S678 WeakPolarHBondContact O-CA 3.4Å; E674-S678 WeakPolarHBondContact O-CB 3.21Å; E674-S678 PolarHBondContact O-N 3.46Å; E674-S678 PolarHBondContact O-OG 3.22Å; S678-I680 VanDerWaalsContact C-N 3.31Å; S678-I680 PolarHBondContact O-N 3.38Å; S678-S681 PolarHBondContact O-N 3.25Å; S678-H682 WeakPolarHBondContact O-CB 3.47Å; S678-H682 PolarHBondContact O-CD2 3.48Å; S678-H682 PolarHBondContact O-N 2.71Å
679	S	89.7	Confident	92.5	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-37.4	176	-63.5	0	0	0	0	112.8	F675 L677 T683	F675-S679 WeakPolarHBondContact O-CB 3.34Å; F675-S679 PolarHBondContact O-N 2.97Å; F675-S679 PolarHBondContact O-OG 3.46Å; L677-S679 VanDerWaalsContact C-N 3.3Å; L677-S679 PolarHBondContact O-N 3.31Å; S679-T683 PolarHBondContact O-N 2.91Å; S679-T683 PolarHBondContact O-OG1 3.35Å
680	I	91.8	Very high	92.7	Very high	96 Å²	96	46.4 Å²	46.4	49%	0.492	25%	0.249	S	C	.	.	H	α-helix	trans	-73.5	-49	174.5	-58.1	171.8	0	0	0	110.4	F522 L677 S678 H682 T683 A684	F522-I680 HydrophobicContact CE2-CG1 4.37Å; F522-I680 HydrophobicContact CZ-CB 4.34Å; F522-I680 HydrophobicContact CZ-CG1 4.03Å; L677-I680 PolarHBondContact O-N 3.29Å; S678-I680 VanDerWaalsContact C-N 3.31Å; S678-I680 PolarHBondContact O-N 3.38Å; I680-H682 PolarHBondContact O-N 3.08Å; I680-T683 PolarHBondContact O-N 3.37Å; I680-A684 PolarHBondContact O-N 2.91Å; I680-A684 VanDerWaalsContact O-N 3.15Å
681	S	94	Very high	92.8	Very high	73 Å²	73	44.3 Å²	44.3	51%	0.51	25%	0.246	S	C	.	.	H	α-helix	trans	-60.5	-45	-178.7	-175.6	0	0	0	0	112.5	L677 S678 A684 S685	L677-S681 WeakPolarHBondContact O-CB 3.32Å; L677-S681 PolarHBondContact O-N 3.06Å; S678-S681 PolarHBondContact O-N 3.25Å; S681-A684 PolarHBondContact O-N 3.33Å; S681-S685 WeakPolarHBondContact O-CB 3.49Å; S681-S685 PolarHBondContact O-N 3.28Å
682	H	93.7	Very high	93	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.06	24%	0.237	C	C	.	.	H	α-helix	trans	-66.7	-42.2	-178.5	-66	-171.2	0	0	0	110.9	M491 S678 I680 A684 S685 Y686 V756 E757	M491-H682 HydrophobicContact CE-CB 3.6Å; M491-H682 HydrophobicContact SD-CB 3.74Å; S678-H682 WeakPolarHBondContact O-CB 3.47Å; S678-H682 PolarHBondContact O-CD2 3.48Å; S678-H682 PolarHBondContact O-N 2.71Å; I680-H682 PolarHBondContact O-N 3.08Å; H682-A684 VanDerWaalsContact C-N 3.29Å; H682-A684 PolarHBondContact O-N 2.94Å; H682-S685 VanDerWaalsContact O-CB 3.31Å; H682-S685 WeakPolarHBondContact O-CB 3.36Å; H682-S685 PolarHBondContact O-N 3.18Å; H682-S685 VanDerWaalsContact O-N 3.07Å; H682-Y686 WeakPolarHBondContact O-CD2 3.48Å; H682-Y686 PolarHBondContact O-N 2.87Å; H682-V756 PolarHBondContact CE1-O 3.24Å; H682-V756 VanDerWaalsContact CE1-O 3.22Å; H682-E757 HydrophobicContact CB-CB 4.25Å; H682-E757 HydrophobicContact CB-CG 3.74Å
683	T	92.5	Very high	93.2	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-41	176	-54.1	0	0	0	0	111.4	V488 F522 S679 I680 Y686	V488-T683 HydrophobicContact CG2-CG2 3.94Å; F522-T683 HydrophobicContact CD1-CG2 3.61Å; F522-T683 HydrophobicContact CE1-CG2 3.75Å; F522-T683 HydrophobicContact CG-CG2 4.37Å; S679-T683 PolarHBondContact O-N 2.91Å; S679-T683 PolarHBondContact O-OG1 3.35Å; I680-T683 PolarHBondContact O-N 3.37Å; T683-Y686 PolarHBondContact O-N 3.36Å
684	A	92.4	Very high	93.2	Very high	56 Å²	56	39 Å²	39	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-35.9	174.2	0	0	0	0	0	112.5	I680 S681 H682 Y686 L687	I680-A684 PolarHBondContact O-N 2.91Å; I680-A684 VanDerWaalsContact O-N 3.15Å; S681-A684 PolarHBondContact O-N 3.33Å; H682-A684 VanDerWaalsContact C-N 3.29Å; H682-A684 PolarHBondContact O-N 2.94Å; A684-Y686 PolarHBondContact O-N 3.34Å; A684-L687 WeakPolarHBondContact O-CB 3.42Å; A684-L687 VanDerWaalsContact O-CG 3.27Å; A684-L687 WeakPolarHBondContact O-CG 3.3Å; A684-L687 PolarHBondContact O-N 3.49Å
685	S	94.9	Very high	93.3	Very high	19 Å²	19	35.6 Å²	35.6	13%	0.133	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-31.3	178	-169.1	0	0	0	0	112.9	S681 H682 L687 R688 E757	S681-S685 WeakPolarHBondContact O-CB 3.49Å; S681-S685 PolarHBondContact O-N 3.28Å; H682-S685 VanDerWaalsContact O-CB 3.31Å; H682-S685 WeakPolarHBondContact O-CB 3.36Å; H682-S685 PolarHBondContact O-N 3.18Å; H682-S685 VanDerWaalsContact O-N 3.07Å; S685-L687 PolarHBondContact O-N 3.23Å; S685-R688 WeakPolarHBondContact O-CB 3.47Å; S685-R688 PolarHBondContact O-N 2.97Å; S685-R688 VanDerWaalsContact O-N 3.13Å; S685-R688 PolarHBondContact OG-NH1 3.4Å; S685-R688 PolarHBondContact OG-NH2 3.37Å; S685-E757 WeakPolarHBondContact CB-OE1 3.47Å; S685-E757 PolarHBondContact OG-OE1 3.41Å
686	Y	95.6	Very high	93.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17	174.8	-79.1	-77.5	0	0	0	114.4	G487 Q490 M491 H682 T683 A684 R688 L689 L753 E757	G487-Y686 VanDerWaalsContact CA-CD2 3.45Å; Q490-Y686 VanDerWaalsContact CD-OH 3.22Å; Q490-Y686 PolarHBondContact OE1-OH 3.1Å; M491-Y686 HydrophobicContact CG-CE2 3.6Å; M491-Y686 HydrophobicContact SD-CD2 4.07Å; M491-Y686 HydrophobicContact SD-CE2 3.62Å; H682-Y686 WeakPolarHBondContact O-CD2 3.48Å; H682-Y686 PolarHBondContact O-N 2.87Å; T683-Y686 PolarHBondContact O-N 3.36Å; A684-Y686 PolarHBondContact O-N 3.34Å; Y686-R688 PolarHBondContact O-N 3.45Å; Y686-L689 HydrophobicContact CD1-CD1 3.85Å; Y686-L689 WeakPolarHBondContact O-CB 3.46Å; Y686-L689 PolarHBondContact O-N 2.93Å; Y686-L753 HydrophobicContact CD1-CD1 4.07Å; Y686-L753 HydrophobicContact CD1-CD2 3.76Å; Y686-L753 HydrophobicContact CD1-CG 4.46Å; Y686-L753 HydrophobicContact CE1-CB 4.32Å; Y686-L753 HydrophobicContact CE1-CD1 4.11Å; Y686-L753 HydrophobicContact CE1-CD2 3.77Å; Y686-L753 HydrophobicContact CE1-CG 4.28Å; Y686-L753 HydrophobicContact CG-CD2 4.21Å; Y686-E757 HydrophobicContact CE2-CB 3.85Å; Y686-E757 HydrophobicContact CE2-CG 4.19Å
687	L	94.7	Very high	93.6	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.288	20%	0.202	S	C	.	.	H	α-helix	trans	-58	-18.3	171.2	-67.3	175.4	0	0	0	112.7	M480 I484 A684 S685 L689 W690 A691	M480-L687 HydrophobicContact CG-CD2 3.83Å; I484-L687 HydrophobicContact CD1-CD2 4.29Å; I484-L687 HydrophobicContact CG1-CD2 4.09Å; A684-L687 WeakPolarHBondContact O-CB 3.42Å; A684-L687 VanDerWaalsContact O-CG 3.27Å; A684-L687 WeakPolarHBondContact O-CG 3.3Å; A684-L687 PolarHBondContact O-N 3.49Å; S685-L687 PolarHBondContact O-N 3.23Å; L687-L689 VanDerWaalsContact C-N 3.25Å; L687-L689 PolarHBondContact O-N 3Å; L687-W690 HydrophobicContact CB-CE3 4.24Å; L687-W690 HydrophobicContact CD2-CE3 4.16Å; L687-W690 WeakPolarHBondContact O-CB 3.05Å; L687-W690 PolarHBondContact O-N 3.24Å; L687-W690 VanDerWaalsContact O-N 3.12Å; L687-A691 PolarHBondContact O-N 3.43Å
688	R	95.5	Very high	93.6	Very high	41 Å²	41	31.8 Å²	31.8	16%	0.155	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-36.1	172	-166.8	-176	-57.6	109.5	12.1	113.3	S685 Y686 W690 A691 L692 H749	S685-R688 WeakPolarHBondContact O-CB 3.47Å; S685-R688 PolarHBondContact O-N 2.97Å; S685-R688 VanDerWaalsContact O-N 3.13Å; S685-R688 PolarHBondContact OG-NH1 3.4Å; S685-R688 PolarHBondContact OG-NH2 3.37Å; Y686-R688 PolarHBondContact O-N 3.45Å; R688-W690 PolarHBondContact O-N 2.89Å; R688-A691 PolarHBondContact O-N 2.74Å; R688-L692 HydrophobicContact CG-CD1 3.62Å; R688-L692 HydrophobicContact CG-CG 4.19Å; R688-L692 PolarHBondContact O-N 3.33Å; R688-H749 WeakPolarHBondContact CD-ND1 3.42Å; R688-H749 HydrophobicContact CG-CB 4.49Å
689	L	95.3	Very high	93.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-43.8	175.1	-68.2	168.7	0	0	0	110.6	L352 V355 M356 L486 Y686 L687 S693 L753	L352-L689 HydrophobicContact CB-CD2 4.28Å; L352-L689 HydrophobicContact CD2-CD1 3.96Å; L352-L689 HydrophobicContact CD2-CD2 4.01Å; V355-L689 HydrophobicContact CB-CD2 4.34Å; V355-L689 HydrophobicContact CG1-CB 4.15Å; V355-L689 HydrophobicContact CG1-CD2 4.2Å; M356-L689 HydrophobicContact CE-CD2 3.41Å; M356-L689 VanDerWaalsContact CE-CD2 3.41Å; M356-L689 HydrophobicContact CE-CG 4.1Å; M356-L689 HydrophobicContact CG-CD2 3.82Å; M356-L689 HydrophobicContact SD-CD2 4.41Å; L486-L689 HydrophobicContact CB-CD1 4.44Å; Y686-L689 HydrophobicContact CD1-CD1 3.85Å; Y686-L689 WeakPolarHBondContact O-CB 3.46Å; Y686-L689 PolarHBondContact O-N 2.93Å; L687-L689 VanDerWaalsContact C-N 3.25Å; L687-L689 PolarHBondContact O-N 3Å; L689-S693 WeakPolarHBondContact O-CB 3.04Å; L689-S693 PolarHBondContact O-N 2.86Å; L689-L753 HydrophobicContact CD2-CD1 3.91Å; L689-L753 HydrophobicContact CG-CD1 4.03Å
690	W	95.2	Very high	93.8	Very high	59 Å²	59	34.3 Å²	34.3	22%	0.223	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-50.1	176.5	156.5	51.8	0	0	0	112	N476 K479 M480 L687 R688 L692 S693 L694	N476-W690 WeakPolarHBondContact OD1-CZ2 3.39Å; N476-W690 PolarHBondContact OD1-NE1 3.15Å; K479-W690 HydrophobicContact CB-CB 4.37Å; K479-W690 HydrophobicContact CB-CG 4.26Å; M480-W690 HydrophobicContact CB-CD2 3.97Å; M480-W690 HydrophobicContact CB-CE3 4.29Å; M480-W690 HydrophobicContact CB-CG 4.11Å; M480-W690 HydrophobicContact CG-CD2 4.31Å; M480-W690 HydrophobicContact CG-CE3 4.11Å; M480-W690 HydrophobicContact CG-CZ3 4.49Å; L687-W690 HydrophobicContact CB-CE3 4.24Å; L687-W690 HydrophobicContact CD2-CE3 4.16Å; L687-W690 WeakPolarHBondContact O-CB 3.05Å; L687-W690 PolarHBondContact O-N 3.24Å; L687-W690 VanDerWaalsContact O-N 3.12Å; R688-W690 PolarHBondContact O-N 2.89Å; W690-L692 PolarHBondContact O-N 3.4Å; W690-S693 PolarHBondContact O-N 2.95Å; W690-L694 WeakPolarHBondContact O-CB 3.42Å; W690-L694 PolarHBondContact O-N 2.84Å
691	A	95.1	Very high	93.8	Very high	51 Å²	51	33 Å²	33	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-59	-47.5	-175.1	0	0	0	0	0	112.5	L687 R688 L694 A695	L687-A691 PolarHBondContact O-N 3.43Å; R688-A691 PolarHBondContact O-N 2.74Å; A691-L694 PolarHBondContact O-N 3.26Å; A691-A695 WeakPolarHBondContact O-CB 3.42Å; A691-A695 PolarHBondContact O-N 2.65Å
692	L	95	Very high	93.8	Very high	24 Å²	24	32.5 Å²	32.5	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-39.6	179	-69.8	165.7	0	0	0	111.9	M356 R688 W690 L694 A695 H696 H749	M356-L692 HydrophobicContact CB-CB 4.15Å; M356-L692 HydrophobicContact CE-CD1 4.21Å; M356-L692 HydrophobicContact CG-CB 4.29Å; M356-L692 HydrophobicContact CG-CD1 4.23Å; M356-L692 HydrophobicContact SD-CD1 3.5Å; M356-L692 VanDerWaalsContact SD-CD1 3.5Å; R688-L692 HydrophobicContact CG-CD1 3.62Å; R688-L692 HydrophobicContact CG-CG 4.19Å; R688-L692 PolarHBondContact O-N 3.33Å; W690-L692 PolarHBondContact O-N 3.4Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.16Å; L692-A695 PolarHBondContact O-N 2.76Å; L692-H696 WeakPolarHBondContact O-CB 3.35Å; L692-H696 PolarHBondContact O-N 2.92Å; L692-H749 HydrophobicContact CD1-CB 3.71Å; L692-H749 WeakPolarHBondContact CD1-CD2 3.25Å
693	S	94.2	Very high	93.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-32.5	176.2	-169.9	0	0	0	0	112.9	V355 M356 K479 L689 W690 A697	V355-S693 VanDerWaalsContact O-CB 3.28Å; V355-S693 WeakPolarHBondContact O-CB 3.48Å; V355-S693 PolarHBondContact O-OG 3.31Å; M356-S693 VanDerWaalsContact O-CA 3.29Å; M356-S693 WeakPolarHBondContact O-CA 3.46Å; K479-S693 WeakPolarHBondContact CE-OG 3.21Å; K479-S693 PolarHBondContact NZ-O 3.41Å; K479-S693 PolarHBondContact NZ-OG 2.67Å; L689-S693 WeakPolarHBondContact O-CB 3.04Å; L689-S693 PolarHBondContact O-N 2.86Å; W690-S693 PolarHBondContact O-N 2.95Å; S693-A697 WeakPolarHBondContact O-CB 3.37Å; S693-A697 PolarHBondContact O-N 3.26Å
694	L	92.6	Very high	93.7	Very high	35 Å²	35	35.6 Å²	35.6	18%	0.183	20%	0.197	C	C	.	.	H	α-helix	trans	-74.7	-45.7	173.6	-169.5	155.8	0	0	0	110.8	L472 N476 W690 A691 L692 H696 A697 Q698	L472-L694 HydrophobicContact CD1-CD1 3.91Å; L472-L694 HydrophobicContact CD1-CD2 4.18Å; L472-L694 HydrophobicContact CD1-CG 4.1Å; N476-L694 HydrophobicContact CB-CD1 4.29Å; W690-L694 WeakPolarHBondContact O-CB 3.42Å; W690-L694 PolarHBondContact O-N 2.84Å; A691-L694 PolarHBondContact O-N 3.26Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.16Å; L694-H696 VanDerWaalsContact C-N 3.35Å; L694-H696 PolarHBondContact O-N 3.16Å; L694-A697 PolarHBondContact O-N 2.98Å; L694-Q698 HydrophobicContact CD2-CG 3.8Å; L694-Q698 WeakPolarHBondContact O-CG 3.47Å; L694-Q698 PolarHBondContact O-N 2.75Å
695	A	94.1	Very high	93.6	Very high	37 Å²	37	34.6 Å²	34.6	31%	0.306	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-45.2	177.8	0	0	0	0	0	112	A691 L692 A697 Q698 L699	A691-A695 WeakPolarHBondContact O-CB 3.42Å; A691-A695 PolarHBondContact O-N 2.65Å; L692-A695 PolarHBondContact O-N 2.76Å; A695-A697 PolarHBondContact O-N 3.27Å; A695-Q698 PolarHBondContact O-N 3.47Å; A695-L699 WeakPolarHBondContact O-CB 3.14Å; A695-L699 WeakPolarHBondContact O-CG 3.27Å; A695-L699 PolarHBondContact O-N 2.77Å
696	H	93.9	Very high	93.4	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	21%	0.213	C	C	.	.	H	α-helix	trans	-60.8	-44.9	177.6	-173.5	72.2	0	0	0	112.6	F357 H362 L692 L694 Q698 S700	F357-H696 AromaticContact CD2-CE1 3.65Å; F357-H696 AromaticContact CD2-ND1 3.82Å; F357-H696 AromaticContact CE2-CE1 3.14Å; F357-H696 WeakPolarHBondContact CE2-CE1 3.3Å; F357-H696 AromaticContact CE2-ND1 3.59Å; F357-H696 AromaticContact CE2-NE2 3.87Å; F357-H696 AromaticContact CZ-CE1 3.58Å; H362-H696 AromaticContact CE1-CE1 3.72Å; H362-H696 AromaticContact CE1-NE2 3.62Å; H362-H696 AromaticContact ND1-CE1 3.22Å; H362-H696 PolarHBondContact ND1-CE1 2.86Å; H362-H696 AromaticContact ND1-NE2 2.97Å; H362-H696 PolarHBondContact ND1-NE2 3.45Å; L692-H696 WeakPolarHBondContact O-CB 3.35Å; L692-H696 PolarHBondContact O-N 2.92Å; L694-H696 VanDerWaalsContact C-N 3.35Å; L694-H696 PolarHBondContact O-N 3.16Å; H696-Q698 PolarHBondContact O-N 3.48Å; H696-S700 WeakPolarHBondContact O-CB 3.45Å; H696-S700 PolarHBondContact O-N 2.84Å; H696-S700 VanDerWaalsContact O-N 3.09Å; H696-S700 PolarHBondContact O-OG 3.45Å
697	A	91.7	Very high	93.1	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-37.3	176.8	0	0	0	0	0	112.4	S693 L694 A695 S700 E701	S693-A697 WeakPolarHBondContact O-CB 3.37Å; S693-A697 PolarHBondContact O-N 3.26Å; L694-A697 PolarHBondContact O-N 2.98Å; A695-A697 PolarHBondContact O-N 3.27Å; A697-S700 WeakPolarHBondContact CA-OG 3.4Å; A697-S700 PolarHBondContact O-OG 2.91Å; A697-E701 WeakPolarHBondContact O-CB 3.41Å; A697-E701 PolarHBondContact O-N 2.89Å; A697-E701 VanDerWaalsContact O-N 3.14Å
698	Q	92.8	Very high	92.8	Very high	63 Å²	63	39.6 Å²	39.6	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-74	-40.8	178.1	-69	-58.8	-66.5	0	0	112.5	L694 A695 H696 E701 V702	L694-Q698 HydrophobicContact CD2-CG 3.8Å; L694-Q698 WeakPolarHBondContact O-CG 3.47Å; L694-Q698 PolarHBondContact O-N 2.75Å; A695-Q698 PolarHBondContact O-N 3.47Å; H696-Q698 PolarHBondContact O-N 3.48Å; Q698-E701 PolarHBondContact O-N 2.88Å; Q698-V702 VanDerWaalsContact O-CG2 3.28Å; Q698-V702 WeakPolarHBondContact O-CG2 3.23Å; Q698-V702 PolarHBondContact O-N 3.28Å
699	L	93	Very high	92.3	Very high	73 Å²	73	44.9 Å²	44.9	38%	0.382	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-40.4	177.1	-74.3	171.6	0	0	0	111.8	A695 V702 L703 L738 E742	A695-L699 WeakPolarHBondContact O-CB 3.14Å; A695-L699 WeakPolarHBondContact O-CG 3.27Å; A695-L699 PolarHBondContact O-N 2.77Å; L699-V702 PolarHBondContact O-N 3.18Å; L699-L703 WeakPolarHBondContact O-CB 3.33Å; L699-L703 PolarHBondContact O-N 2.97Å; L699-L738 HydrophobicContact CB-CD2 3.78Å; L699-E742 HydrophobicContact CD1-CG 4.3Å
700	S	92.4	Very high	91.8	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-39.2	174.1	53.9	0	0	0	0	112.3	H696 A697 L703 W704	H696-S700 WeakPolarHBondContact O-CB 3.45Å; H696-S700 PolarHBondContact O-N 2.84Å; H696-S700 VanDerWaalsContact O-N 3.09Å; H696-S700 PolarHBondContact O-OG 3.45Å; A697-S700 WeakPolarHBondContact CA-OG 3.4Å; A697-S700 PolarHBondContact O-OG 2.91Å; S700-L703 PolarHBondContact O-N 3.04Å; S700-W704 WeakPolarHBondContact O-CB 3.29Å; S700-W704 PolarHBondContact O-N 3.41Å
701	E	91.4	Very high	91.3	Very high	69 Å²	69	47 Å²	47	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-41.5	175.6	-172	170.4	170.1	0	0	112.4	A419 K471 A697 Q698 W704 S705	A419-E701 HydrophobicContact CB-CB 3.98Å; K471-E701 IonicContact NZ-OE2 2.74Å; K471-E701 PolarHBondContact NZ-OE2 3.4Å; A697-E701 WeakPolarHBondContact O-CB 3.41Å; A697-E701 PolarHBondContact O-N 2.89Å; A697-E701 VanDerWaalsContact O-N 3.14Å; Q698-E701 PolarHBondContact O-N 2.88Å; E701-W704 PolarHBondContact O-N 3.12Å; E701-S705 VanDerWaalsContact O-CB 3.31Å; E701-S705 WeakPolarHBondContact O-CB 3.32Å; E701-S705 PolarHBondContact O-N 3.34Å; E701-S705 PolarHBondContact O-OG 3.34Å
702	V	92.9	Very high	90.8	Very high	62 Å²	62	50.3 Å²	50.3	38%	0.376	25%	0.25	S	S	.	.	H	α-helix	trans	-65	-45.4	174.9	172.1	0	0	0	0	110.8	Q698 L699 W704 S705 M706	Q698-V702 VanDerWaalsContact O-CG2 3.28Å; Q698-V702 WeakPolarHBondContact O-CG2 3.23Å; Q698-V702 PolarHBondContact O-N 3.28Å; L699-V702 PolarHBondContact O-N 3.18Å; V702-W704 VanDerWaalsContact C-N 3.34Å; V702-W704 PolarHBondContact O-N 2.86Å; V702-S705 WeakPolarHBondContact CA-OG 3.24Å; V702-S705 PolarHBondContact O-N 3.23Å; V702-S705 PolarHBondContact O-OG 2.95Å; V702-M706 HydrophobicContact CG1-CE 3.94Å; V702-M706 HydrophobicContact CG1-CG 4.17Å; V702-M706 HydrophobicContact CG1-SD 3.73Å; V702-M706 WeakPolarHBondContact O-CB 3.28Å; V702-M706 WeakPolarHBondContact O-CG 3.33Å; V702-M706 PolarHBondContact O-N 3.41Å
703	L	92.8	Very high	90.4	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-43	178.9	-171	69	0	0	0	111.3	L699 S700 V707 F730 L733 T734 L738	L699-L703 WeakPolarHBondContact O-CB 3.33Å; L699-L703 PolarHBondContact O-N 2.97Å; S700-L703 PolarHBondContact O-N 3.04Å; L703-V707 HydrophobicContact CD1-CG2 3.86Å; L703-V707 VanDerWaalsContact O-CB 3.3Å; L703-V707 WeakPolarHBondContact O-CB 3.33Å; L703-V707 PolarHBondContact O-N 2.93Å; L703-F730 HydrophobicContact CB-CE2 4.38Å; L703-F730 HydrophobicContact CD2-CD2 4.01Å; L703-F730 HydrophobicContact CD2-CE2 3.82Å; L703-F730 HydrophobicContact CG-CD2 3.81Å; L703-F730 HydrophobicContact CG-CE2 3.77Å; L703-L733 HydrophobicContact CD1-CB 3.96Å; L703-L733 HydrophobicContact CD1-CD1 3.93Å; L703-L733 HydrophobicContact CD2-CB 4.3Å; L703-T734 VanDerWaalsContact CD2-OG1 3.27Å; L703-T734 WeakPolarHBondContact CD2-OG1 3.34Å; L703-L738 HydrophobicContact CD2-CD1 3.55Å; L703-L738 HydrophobicContact CD2-CG 4.31Å
704	W	92	Very high	89.8	Confident	60 Å²	60	59.4 Å²	59.4	23%	0.227	29%	0.292	C	S	.	.	I	π-helix	trans	-62.8	-48.6	175	-176.9	-80.9	0	0	0	112	F418 K420 S700 E701 V702 M708 R709 F712 F730	F418-W704 HydrophobicContact CB-CE3 4.49Å; K420-W704 VanDerWaalsContact CE-CE2 3.48Å; K420-W704 HydrophobicContact CG-CZ2 4.4Å; S700-W704 WeakPolarHBondContact O-CB 3.29Å; S700-W704 PolarHBondContact O-N 3.41Å; E701-W704 PolarHBondContact O-N 3.12Å; V702-W704 VanDerWaalsContact C-N 3.34Å; V702-W704 PolarHBondContact O-N 2.86Å; W704-M708 HydrophobicContact CD2-CB 4.13Å; W704-M708 HydrophobicContact CD2-CG 4.41Å; W704-M708 HydrophobicContact CE3-CB 4.34Å; W704-M708 HydrophobicContact CE3-CG 4.12Å; W704-M708 HydrophobicContact CG-CB 4.48Å; W704-M708 HydrophobicContact CZ3-CG 4.29Å; W704-M708 WeakPolarHBondContact O-CB 3.44Å; W704-M708 PolarHBondContact O-N 3.4Å; W704-M708 VanDerWaalsContact O-N 3.13Å; W704-R709 PolarHBondContact O-N 3.42Å; W704-F712 HydrophobicContact CZ2-CE2 4.24Å; W704-F730 HydrophobicContact CE3-CE2 4.36Å; W704-F730 AromaticContact CE3-CZ 3.94Å; W704-F730 HydrophobicContact CE3-CZ 3.94Å; W704-F730 HydrophobicContact CZ3-CZ 4.43Å
705	S	90.7	Very high	89.5	Confident	35 Å²	35	66.5 Å²	66.5	25%	0.245	33%	0.325	C	S	.	.	I	π-helix	trans	-73.1	-29.5	-174.3	63	0	0	0	0	114	E701 V702 R709	E701-S705 VanDerWaalsContact O-CB 3.31Å; E701-S705 WeakPolarHBondContact O-CB 3.32Å; E701-S705 PolarHBondContact O-N 3.34Å; E701-S705 PolarHBondContact O-OG 3.34Å; V702-S705 WeakPolarHBondContact CA-OG 3.24Å; V702-S705 PolarHBondContact O-N 3.23Å; V702-S705 PolarHBondContact O-OG 2.95Å; S705-R709 WeakPolarHBondContact O-CB 3.44Å; S705-R709 PolarHBondContact O-NE 3.01Å; S705-R709 PolarHBondContact O-NH2 3.29Å
706	M	90	Very high	89.2	Confident	136 Å²	136	67.6 Å²	67.6	67%	0.67	34%	0.339	S	S	*	.	I	π-helix	trans	-87.5	-39.7	178.1	-69.3	-170.3	175.6	0	0	112.9	V702	V702-M706 HydrophobicContact CG1-CE 3.94Å; V702-M706 HydrophobicContact CG1-CG 4.17Å; V702-M706 HydrophobicContact CG1-SD 3.73Å; V702-M706 WeakPolarHBondContact O-CB 3.28Å; V702-M706 WeakPolarHBondContact O-CG 3.33Å; V702-M706 PolarHBondContact O-N 3.41Å
707	V	90.3	Very high	88.8	Confident	32 Å²	32	78.1 Å²	78.1	19%	0.194	38%	0.38	C	S	.	.	I	π-helix	trans	-94.1	-63.1	-174.5	-175.6	0	0	0	0	110.9	L703 R709 M710 V726 F730 L733	L703-V707 HydrophobicContact CD1-CG2 3.86Å; L703-V707 VanDerWaalsContact O-CB 3.3Å; L703-V707 WeakPolarHBondContact O-CB 3.33Å; L703-V707 PolarHBondContact O-N 2.93Å; V707-R709 VanDerWaalsContact C-N 3.34Å; V707-R709 PolarHBondContact O-N 2.81Å; V707-M710 WeakPolarHBondContact O-CB 3.29Å; V707-M710 PolarHBondContact O-N 3.17Å; V707-V726 HydrophobicContact CG1-CG1 3.78Å; V707-V726 WeakPolarHBondContact O-CG1 3.31Å; V707-F730 HydrophobicContact CB-CD2 4.4Å; V707-F730 HydrophobicContact CG1-CB 3.91Å; V707-L733 HydrophobicContact CG2-CD1 4.45Å
708	M	87.3	Confident	88.5	Confident	12 Å²	12	85 Å²	85	6%	0.059	41%	0.414	C	S	.	.	I	π-helix	trans	-65.7	-34.5	-173.5	-74.8	-61.4	-61.5	0	0	113.1	W704 M710 G711 F712 F727 F730	W704-M708 HydrophobicContact CD2-CB 4.13Å; W704-M708 HydrophobicContact CD2-CG 4.41Å; W704-M708 HydrophobicContact CE3-CB 4.34Å; W704-M708 HydrophobicContact CE3-CG 4.12Å; W704-M708 HydrophobicContact CG-CB 4.48Å; W704-M708 HydrophobicContact CZ3-CG 4.29Å; W704-M708 WeakPolarHBondContact O-CB 3.44Å; W704-M708 PolarHBondContact O-N 3.4Å; W704-M708 VanDerWaalsContact O-N 3.13Å; M708-M710 VanDerWaalsContact C-N 3.27Å; M708-M710 PolarHBondContact O-N 2.87Å; M708-G711 PolarHBondContact O-N 2.75Å; M708-G711 VanDerWaalsContact O-N 3.13Å; M708-F712 HydrophobicContact CB-CE2 4.47Å; M708-F712 HydrophobicContact CE-CE2 4.25Å; M708-F712 HydrophobicContact CE-CZ 4.05Å; M708-F712 VanDerWaalsContact O-CD2 3.28Å; M708-F712 WeakPolarHBondContact O-CD2 3.41Å; M708-F727 HydrophobicContact CE-CD2 4.15Å; M708-F727 HydrophobicContact SD-CD2 4.08Å; M708-F730 HydrophobicContact CG-CB 4.1Å; M708-F730 HydrophobicContact CG-CD1 3.95Å; M708-F730 HydrophobicContact CG-CD2 3.54Å; M708-F730 HydrophobicContact CG-CE1 4.28Å; M708-F730 HydrophobicContact CG-CE2 3.89Å; M708-F730 HydrophobicContact CG-CG 3.57Å; M708-F730 HydrophobicContact CG-CZ 4.26Å; M708-F730 HydrophobicContact SD-CB 3.8Å; M708-F730 HydrophobicContact SD-CD1 3.98Å; M708-F730 HydrophobicContact SD-CD2 4.36Å; M708-F730 HydrophobicContact SD-CG 3.78Å
709	R	86.2	Confident	88.2	Confident	152 Å²	152	82 Å²	82	57%	0.574	40%	0.4	S	S	*	.	H	α-helix	trans	-59.9	-36.5	176.4	-168.1	176.1	66.2	-149.5	-3.8	112.6	W704 S705 V707 G711 F712	W704-R709 PolarHBondContact O-N 3.42Å; S705-R709 WeakPolarHBondContact O-CB 3.44Å; S705-R709 PolarHBondContact O-NE 3.01Å; S705-R709 PolarHBondContact O-NH2 3.29Å; V707-R709 VanDerWaalsContact C-N 3.34Å; V707-R709 PolarHBondContact O-N 2.81Å; R709-G711 PolarHBondContact O-N 2.95Å; R709-F712 PolarHBondContact O-N 3.17Å
710	M	85.1	Confident	88	Confident	100 Å²	100	81.6 Å²	81.6	49%	0.493	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-32.1	178.7	-169.1	65.4	-173.5	0	0	111.7	V707 M708 F712 I713 F714	V707-M710 WeakPolarHBondContact O-CB 3.29Å; V707-M710 PolarHBondContact O-N 3.17Å; M708-M710 VanDerWaalsContact C-N 3.27Å; M708-M710 PolarHBondContact O-N 2.87Å; M710-F712 VanDerWaalsContact C-N 3.35Å; M710-I713 HydrophobicContact SD-CD1 4.06Å; M710-F714 HydrophobicContact CE-CE2 3.97Å; M710-F714 HydrophobicContact CE-CZ 4.03Å
711	G	83.1	Confident	87.8	Confident	3 Å²	3	86 Å²	86	3%	0.031	43%	0.43	C	S	.	.	H	α-helix	trans	-65	-36.1	175.7	0	0	0	0	0	113.1	M708 R709 I713 I723	M708-G711 PolarHBondContact O-N 2.75Å; M708-G711 VanDerWaalsContact O-N 3.13Å; R709-G711 PolarHBondContact O-N 2.95Å; G711-I713 VanDerWaalsContact C-N 3.33Å; G711-I713 PolarHBondContact O-N 2.9Å; G711-I723 WeakPolarHBondContact O-CG1 3.37Å
712	F	85.9	Confident	87.7	Confident	121 Å²	121	84 Å²	84	53%	0.531	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.3	-176.7	-64.1	-56.1	0	0	0	115	W704 M708 R709 M710 I723	W704-F712 HydrophobicContact CZ2-CE2 4.24Å; M708-F712 HydrophobicContact CB-CE2 4.47Å; M708-F712 HydrophobicContact CE-CE2 4.25Å; M708-F712 HydrophobicContact CE-CZ 4.05Å; M708-F712 VanDerWaalsContact O-CD2 3.28Å; M708-F712 WeakPolarHBondContact O-CD2 3.41Å; R709-F712 PolarHBondContact O-N 3.17Å; M710-F712 VanDerWaalsContact C-N 3.35Å; F712-I723 HydrophobicContact CD1-CD1 4.37Å
713	I	85.9	Confident	87.5	Confident	109 Å²	109	83.7 Å²	83.7	56%	0.559	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-28.3	-179.6	-64.6	170.6	0	0	0	111.5	M710 G711	M710-I713 HydrophobicContact SD-CD1 4.06Å; G711-I713 VanDerWaalsContact C-N 3.33Å; G711-I713 PolarHBondContact O-N 2.9Å
714	F	82.3	Confident	87.4	Confident	109 Å²	109	90 Å²	90	48%	0.478	44%	0.444	S	S	.	.			trans	-88.5	120.4	-177.3	-63.4	-72.9	0	0	0	111.4	M710 G719 A722	M710-F714 HydrophobicContact CE-CE2 3.97Å; M710-F714 HydrophobicContact CE-CZ 4.03Å; F714-G719 VanDerWaalsContact O-CA 3.31Å; F714-G719 WeakPolarHBondContact O-CA 3.37Å; F714-A722 HydrophobicContact CD2-CB 4.23Å
715	E	85.9	Confident	87.4	Confident	185 Å²	185	92.4 Å²	92.4	86%	0.864	46%	0.46	S	S	*	.			trans	-91.1	157.7	173.8	-62.8	-175.8	172.8	0	0	112
716	G	87	Confident	87.4	Confident	59 Å²	59	92.3 Å²	92.3	61%	0.608	46%	0.458	S	S	*	.	H	α-helix	trans	86.4	-171.8	176.7	0	0	0	0	0	115.5	M718 G719 A720	G716-M718 VanDerWaalsContact C-N 3.28Å; G716-M718 PolarHBondContact O-N 3.39Å; G716-G719 WeakPolarHBondContact O-CA 3.05Å; G716-G719 PolarHBondContact O-N 3.41Å; G716-A720 PolarHBondContact O-N 2.94Å; G716-A720 VanDerWaalsContact O-N 3.16Å
717	Y	87.2	Confident	87.5	Confident	226 Å²	226	91.2 Å²	91.2	89%	0.886	45%	0.45	S	S	*	.	H	α-helix	trans	-61.3	-34.7	-178	-67.9	-76.4	0	0	0	113.3	G719 A720 L721	Y717-G719 VanDerWaalsContact C-N 3.29Å; Y717-G719 PolarHBondContact O-N 2.87Å; Y717-A720 PolarHBondContact O-N 3.23Å; Y717-L721 PolarHBondContact O-N 3.03Å
718	M	84.2	Confident	87.6	Confident	148 Å²	148	98.1 Å²	98.1	73%	0.729	47%	0.473	S	S	*	.	H	α-helix	trans	-63.9	-36.9	172.6	-70.3	-61.4	-63.2	0	0	111.5	G716 L721 A722	G716-M718 VanDerWaalsContact C-N 3.28Å; G716-M718 PolarHBondContact O-N 3.39Å; M718-L721 PolarHBondContact O-N 2.94Å; M718-A722 WeakPolarHBondContact O-CB 3.4Å; M718-A722 PolarHBondContact O-N 3.29Å
719	G	87.6	Confident	87.8	Confident	1 Å²	1	99.5 Å²	99.5	1%	0.01	49%	0.486	C	S	.	.	H	α-helix	trans	-60.6	-42.1	172.5	0	0	0	0	0	112.7	F714 G716 Y717 L721 A722 I723	F714-G719 VanDerWaalsContact O-CA 3.31Å; F714-G719 WeakPolarHBondContact O-CA 3.37Å; G716-G719 WeakPolarHBondContact O-CA 3.05Å; G716-G719 PolarHBondContact O-N 3.41Å; Y717-G719 VanDerWaalsContact C-N 3.29Å; Y717-G719 PolarHBondContact O-N 2.87Å; G719-L721 PolarHBondContact O-N 3.42Å; G719-A722 PolarHBondContact O-N 2.95Å; G719-I723 WeakPolarHBondContact O-CB 3.38Å; G719-I723 VanDerWaalsContact O-CG1 3.23Å; G719-I723 WeakPolarHBondContact O-CG1 3.25Å; G719-I723 PolarHBondContact O-N 3.36Å
720	A	87.8	Confident	88.1	Confident	63 Å²	63	93 Å²	93	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.7	0	0	0	0	0	112.8	G716 Y717 Y724	G716-A720 PolarHBondContact O-N 2.94Å; G716-A720 VanDerWaalsContact O-N 3.16Å; Y717-A720 PolarHBondContact O-N 3.23Å; A720-Y724 PolarHBondContact O-N 3.44Å; A720-Y724 VanDerWaalsContact O-N 3.08Å
721	L	88.8	Confident	88.5	Confident	98 Å²	98	90.1 Å²	90.1	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-42.2	175	-177.2	65.8	0	0	0	111.6	Y717 M718 G719 Y724 L725	Y717-L721 PolarHBondContact O-N 3.03Å; M718-L721 PolarHBondContact O-N 2.94Å; G719-L721 PolarHBondContact O-N 3.42Å; L721-Y724 PolarHBondContact O-N 2.79Å; L721-L725 PolarHBondContact O-N 2.95Å; L721-L725 VanDerWaalsContact O-N 3.13Å
722	A	88.1	Confident	89	Confident	25 Å²	25	95.3 Å²	95.3	21%	0.207	48%	0.476	C	S	.	.	H	α-helix	trans	-62	-46.3	177.1	0	0	0	0	0	111.6	F714 M718 G719 Y724 L725 V726	F714-A722 HydrophobicContact CD2-CB 4.23Å; M718-A722 WeakPolarHBondContact O-CB 3.4Å; M718-A722 PolarHBondContact O-N 3.29Å; G719-A722 PolarHBondContact O-N 2.95Å; A722-Y724 VanDerWaalsContact C-N 3.3Å; A722-Y724 PolarHBondContact O-N 3.33Å; A722-L725 PolarHBondContact O-N 3.23Å; A722-V726 WeakPolarHBondContact O-CB 3.27Å; A722-V726 WeakPolarHBondContact O-CG2 2.99Å; A722-V726 PolarHBondContact O-N 2.6Å
723	I	90.3	Very high	89.4	Confident	57 Å²	57	92.2 Å²	92.2	29%	0.292	47%	0.465	S	S	.	.	H	α-helix	trans	-59.1	-41.6	175.9	-70.1	165.8	0	0	0	110.8	G711 F712 G719 V726 F727	G711-I723 WeakPolarHBondContact O-CG1 3.37Å; F712-I723 HydrophobicContact CD1-CD1 4.37Å; G719-I723 WeakPolarHBondContact O-CB 3.38Å; G719-I723 VanDerWaalsContact O-CG1 3.23Å; G719-I723 WeakPolarHBondContact O-CG1 3.25Å; G719-I723 PolarHBondContact O-N 3.36Å; I723-V726 PolarHBondContact O-N 3.09Å; I723-F727 WeakPolarHBondContact O-CB 3.28Å; I723-F727 PolarHBondContact O-N 3.42Å
724	Y	90.3	Very high	89.8	Confident	159 Å²	159	87.2 Å²	87.2	62%	0.624	44%	0.439	S	S	*	.	H	α-helix	trans	-61.1	-47.7	177.7	179.6	-98	0	0	0	112.4	A720 L721 A722 F727 W728	A720-Y724 PolarHBondContact O-N 3.44Å; A720-Y724 VanDerWaalsContact O-N 3.08Å; L721-Y724 PolarHBondContact O-N 2.79Å; A722-Y724 VanDerWaalsContact C-N 3.3Å; A722-Y724 PolarHBondContact O-N 3.33Å; Y724-F727 PolarHBondContact O-N 2.94Å; Y724-W728 PolarHBondContact O-N 3.4Å; Y724-W728 VanDerWaalsContact O-N 3.09Å
725	L	91	Very high	90.4	Very high	110 Å²	110	86.4 Å²	86.4	58%	0.576	44%	0.439	S	S	*	.	H	α-helix	trans	-66.5	-43.4	178.3	-67.6	177.5	0	0	0	112.2	L721 A722 F727 W728 A729	L721-L725 PolarHBondContact O-N 2.95Å; L721-L725 VanDerWaalsContact O-N 3.13Å; A722-L725 PolarHBondContact O-N 3.23Å; L725-F727 VanDerWaalsContact C-N 3.32Å; L725-F727 PolarHBondContact O-N 3.07Å; L725-W728 PolarHBondContact O-N 3.47Å; L725-A729 PolarHBondContact O-N 3.01Å; L725-A729 VanDerWaalsContact O-N 3.12Å
726	V	91.6	Very high	90.7	Very high	34 Å²	34	79.1 Å²	79.1	21%	0.206	41%	0.409	C	S	.	.	H	α-helix	trans	-64.1	-39.2	177.4	171.3	0	0	0	0	110.8	V707 A722 I723 A729 F730	V707-V726 HydrophobicContact CG1-CG1 3.78Å; V707-V726 WeakPolarHBondContact O-CG1 3.31Å; A722-V726 WeakPolarHBondContact O-CB 3.27Å; A722-V726 WeakPolarHBondContact O-CG2 2.99Å; A722-V726 PolarHBondContact O-N 2.6Å; I723-V726 PolarHBondContact O-N 3.09Å; V726-A729 PolarHBondContact O-N 3.28Å; V726-F730 WeakPolarHBondContact O-CB 3.48Å; V726-F730 PolarHBondContact O-N 3.04Å
727	F	92.4	Very high	91	Very high	113 Å²	113	79.9 Å²	79.9	50%	0.496	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-38.8	175.8	-178.2	-98.7	0	0	0	111.9	M708 I723 Y724 L725 F730 A731	M708-F727 HydrophobicContact CE-CD2 4.15Å; M708-F727 HydrophobicContact SD-CD2 4.08Å; I723-F727 WeakPolarHBondContact O-CB 3.28Å; I723-F727 PolarHBondContact O-N 3.42Å; Y724-F727 PolarHBondContact O-N 2.94Å; L725-F727 VanDerWaalsContact C-N 3.32Å; L725-F727 PolarHBondContact O-N 3.07Å; F727-F730 HydrophobicContact CD2-CD1 4.45Å; F727-F730 HydrophobicContact CE2-CD1 4.49Å; F727-F730 PolarHBondContact O-N 2.95Å; F727-A731 HydrophobicContact CE1-CB 4.49Å; F727-A731 VanDerWaalsContact O-CB 3.27Å; F727-A731 WeakPolarHBondContact O-CB 3.38Å; F727-A731 PolarHBondContact O-N 3.04Å
728	W	92	Very high	91.4	Very high	177 Å²	177	69.4 Å²	69.4	67%	0.67	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-42.8	175.4	-164.3	85.5	0	0	0	111.6	Y724 L725 A731 F732	Y724-W728 PolarHBondContact O-N 3.4Å; Y724-W728 VanDerWaalsContact O-N 3.09Å; L725-W728 PolarHBondContact O-N 3.47Å; W728-A731 PolarHBondContact O-N 3.21Å; W728-F732 WeakPolarHBondContact O-CB 3.33Å; W728-F732 PolarHBondContact O-N 3.39Å
729	A	91.5	Very high	91.8	Very high	41 Å²	41	63.2 Å²	63.2	34%	0.339	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-44.5	173.4	0	0	0	0	0	112	L725 V726 F732 L733	L725-A729 PolarHBondContact O-N 3.01Å; L725-A729 VanDerWaalsContact O-N 3.12Å; V726-A729 PolarHBondContact O-N 3.28Å; A729-F732 PolarHBondContact O-N 3.44Å; A729-L733 WeakPolarHBondContact O-CB 3.44Å; A729-L733 VanDerWaalsContact O-CG 3.28Å; A729-L733 WeakPolarHBondContact O-CG 3.4Å; A729-L733 PolarHBondContact O-N 3.32Å
730	F	92.8	Very high	92.1	Very high	14 Å²	14	68.8 Å²	68.8	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175.5	175	-100	0	0	0	112	L703 W704 V707 M708 V726 F727 L733 T734	L703-F730 HydrophobicContact CB-CE2 4.38Å; L703-F730 HydrophobicContact CD2-CD2 4.01Å; L703-F730 HydrophobicContact CD2-CE2 3.82Å; L703-F730 HydrophobicContact CG-CD2 3.81Å; L703-F730 HydrophobicContact CG-CE2 3.77Å; W704-F730 HydrophobicContact CE3-CE2 4.36Å; W704-F730 AromaticContact CE3-CZ 3.94Å; W704-F730 HydrophobicContact CE3-CZ 3.94Å; W704-F730 HydrophobicContact CZ3-CZ 4.43Å; V707-F730 HydrophobicContact CB-CD2 4.4Å; V707-F730 HydrophobicContact CG1-CB 3.91Å; M708-F730 HydrophobicContact CG-CB 4.1Å; M708-F730 HydrophobicContact CG-CD1 3.95Å; M708-F730 HydrophobicContact CG-CD2 3.54Å; M708-F730 HydrophobicContact CG-CE1 4.28Å; M708-F730 HydrophobicContact CG-CE2 3.89Å; M708-F730 HydrophobicContact CG-CG 3.57Å; M708-F730 HydrophobicContact CG-CZ 4.26Å; M708-F730 HydrophobicContact SD-CB 3.8Å; M708-F730 HydrophobicContact SD-CD1 3.98Å; M708-F730 HydrophobicContact SD-CD2 4.36Å; M708-F730 HydrophobicContact SD-CG 3.78Å; V726-F730 WeakPolarHBondContact O-CB 3.48Å; V726-F730 PolarHBondContact O-N 3.04Å; F727-F730 HydrophobicContact CD2-CD1 4.45Å; F727-F730 HydrophobicContact CE2-CD1 4.49Å; F727-F730 PolarHBondContact O-N 2.95Å; F730-L733 PolarHBondContact O-N 2.93Å; F730-T734 VanDerWaalsContact O-CB 3.24Å; F730-T734 WeakPolarHBondContact O-CB 3.36Å; F730-T734 PolarHBondContact O-N 3.22Å; F730-T734 PolarHBondContact O-OG1 2.98Å
731	A	92.9	Very high	92.4	Very high	40 Å²	40	71.7 Å²	71.7	33%	0.331	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-42.8	179.6	0	0	0	0	0	111.8	F727 W728 T734 L735	F727-A731 HydrophobicContact CE1-CB 4.49Å; F727-A731 VanDerWaalsContact O-CB 3.27Å; F727-A731 WeakPolarHBondContact O-CB 3.38Å; F727-A731 PolarHBondContact O-N 3.04Å; W728-A731 PolarHBondContact O-N 3.21Å; A731-T734 PolarHBondContact O-N 3.45Å; A731-L735 WeakPolarHBondContact O-CB 3.41Å; A731-L735 PolarHBondContact O-N 2.96Å
732	F	94.2	Very high	92.6	Very high	112 Å²	112	69.2 Å²	69.2	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-50.2	175.5	177	-101.4	0	0	0	111.7	W728 A729 T734 L735 S736	W728-F732 WeakPolarHBondContact O-CB 3.33Å; W728-F732 PolarHBondContact O-N 3.39Å; A729-F732 PolarHBondContact O-N 3.44Å; F732-T734 VanDerWaalsContact C-N 3.33Å; F732-T734 PolarHBondContact O-N 2.99Å; F732-L735 PolarHBondContact O-N 3.26Å; F732-S736 WeakPolarHBondContact O-CB 3.04Å; F732-S736 PolarHBondContact O-N 3.46Å; F732-S736 PolarHBondContact O-OG 3.4Å
733	L	93.7	Very high	92.9	Very high	57 Å²	57	68.3 Å²	68.3	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-39.6	178.7	-69.1	173.9	0	0	0	112	L703 V707 A729 F730 I737	L703-L733 HydrophobicContact CD1-CB 3.96Å; L703-L733 HydrophobicContact CD1-CD1 3.93Å; L703-L733 HydrophobicContact CD2-CB 4.3Å; V707-L733 HydrophobicContact CG2-CD1 4.45Å; A729-L733 WeakPolarHBondContact O-CB 3.44Å; A729-L733 VanDerWaalsContact O-CG 3.28Å; A729-L733 WeakPolarHBondContact O-CG 3.4Å; A729-L733 PolarHBondContact O-N 3.32Å; F730-L733 PolarHBondContact O-N 2.93Å; L733-I737 HydrophobicContact CD2-CD1 3.92Å; L733-I737 VanDerWaalsContact O-CB 3.31Å; L733-I737 WeakPolarHBondContact O-CB 3.25Å; L733-I737 PolarHBondContact O-N 3.48Å
734	T	94.1	Very high	93.1	Very high	4 Å²	4	70.2 Å²	70.2	3%	0.025	35%	0.349	C	S	.	.	I	π-helix	trans	-61.5	-47.9	175.2	-61.8	0	0	0	0	111	H362 F418 L703 F730 A731 F732 L738 V739	H362-T734 VanDerWaalsContact NE2-CG2 3.34Å; H362-T734 WeakPolarHBondContact NE2-CG2 3.29Å; F418-T734 HydrophobicContact CE1-CG2 4.23Å; L703-T734 VanDerWaalsContact CD2-OG1 3.27Å; L703-T734 WeakPolarHBondContact CD2-OG1 3.34Å; F730-T734 VanDerWaalsContact O-CB 3.24Å; F730-T734 WeakPolarHBondContact O-CB 3.36Å; F730-T734 PolarHBondContact O-N 3.22Å; F730-T734 PolarHBondContact O-OG1 2.98Å; A731-T734 PolarHBondContact O-N 3.45Å; F732-T734 VanDerWaalsContact C-N 3.33Å; F732-T734 PolarHBondContact O-N 2.99Å; T734-L738 HydrophobicContact CG2-CB 4.45Å; T734-L738 HydrophobicContact CG2-CD1 4.25Å; T734-L738 CarbonylContact O-C 3.46Å; T734-L738 WeakPolarHBondContact O-CA 3.48Å; T734-L738 VanDerWaalsContact O-CB 3.32Å; T734-L738 WeakPolarHBondContact O-CB 3.28Å; T734-L738 PolarHBondContact O-N 2.85Å; T734-L738 VanDerWaalsContact O-N 3.08Å; T734-V739 PolarHBondContact O-N 3.39Å
735	L	94	Very high	93.3	Very high	92 Å²	92	64.5 Å²	64.5	48%	0.482	33%	0.332	S	S	.	.	I	π-helix	trans	-66.7	-47	-179.2	-176	65.4	0	0	0	112.1	I365 A731 F732 V739 M740	I365-L735 HydrophobicContact CG2-CD1 4.07Å; A731-L735 WeakPolarHBondContact O-CB 3.41Å; A731-L735 PolarHBondContact O-N 2.96Å; F732-L735 PolarHBondContact O-N 3.26Å; L735-V739 HydrophobicContact CD1-CB 4.36Å; L735-V739 HydrophobicContact CD1-CG1 4.45Å; L735-M740 WeakPolarHBondContact O-CB 3.48Å; L735-M740 PolarHBondContact O-N 3.01Å
736	S	93.6	Very high	93.5	Very high	31 Å²	31	59.4 Å²	59.4	22%	0.217	31%	0.306	C	S	.	.	I	π-helix	trans	-74.1	-44.8	-175.2	-63.1	0	0	0	0	113.1	F732 M740 M741	F732-S736 WeakPolarHBondContact O-CB 3.04Å; F732-S736 PolarHBondContact O-N 3.46Å; F732-S736 PolarHBondContact O-OG 3.4Å; S736-M740 WeakPolarHBondContact O-CB 3.48Å; S736-M741 WeakPolarHBondContact O-CG 3.43Å; S736-M741 PolarHBondContact O-N 3.5Å
737	I	93.9	Very high	93.7	Very high	76 Å²	76	60 Å²	60	39%	0.39	31%	0.306	S	S	.	.	I	π-helix	trans	-91.7	-58	-174.7	-56.8	175.4	0	0	0	110.3	L733 M741 E742	L733-I737 HydrophobicContact CD2-CD1 3.92Å; L733-I737 VanDerWaalsContact O-CB 3.31Å; L733-I737 WeakPolarHBondContact O-CB 3.25Å; L733-I737 PolarHBondContact O-N 3.48Å; I737-M741 PolarHBondContact O-N 2.97Å; I737-E742 PolarHBondContact O-N 3.44Å
738	L	93.5	Very high	93.8	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	31%	0.306	C	S	.	.	I	π-helix	trans	-74.6	-40.8	-172	-61.2	176	0	0	0	112.6	F357 L699 L703 T734 E742	F357-L738 WeakPolarHBondContact CE2-O 3.28Å; F357-L738 WeakPolarHBondContact CZ-O 3.23Å; L699-L738 HydrophobicContact CB-CD2 3.78Å; L703-L738 HydrophobicContact CD2-CD1 3.55Å; L703-L738 HydrophobicContact CD2-CG 4.31Å; T734-L738 HydrophobicContact CG2-CB 4.45Å; T734-L738 HydrophobicContact CG2-CD1 4.25Å; T734-L738 CarbonylContact O-C 3.46Å; T734-L738 WeakPolarHBondContact O-CA 3.48Å; T734-L738 VanDerWaalsContact O-CB 3.32Å; T734-L738 WeakPolarHBondContact O-CB 3.28Å; T734-L738 PolarHBondContact O-N 2.85Å; T734-L738 VanDerWaalsContact O-N 3.08Å; L738-E742 WeakPolarHBondContact O-CB 3.41Å
739	V	94.3	Very high	94	Very high	17 Å²	17	53.4 Å²	53.4	10%	0.103	29%	0.286	C	S	.	.	I	π-helix	trans	-85.4	-50.4	-178.7	-179.6	0	0	0	0	111.6	H362 I365 M366 T734 L735 G743	H362-V739 HydrophobicContact CB-CG2 4.16Å; I365-V739 HydrophobicContact CD1-CG2 4.47Å; I365-V739 HydrophobicContact CG2-CG1 4.46Å; M366-V739 HydrophobicContact CG-CG1 3.85Å; T734-V739 PolarHBondContact O-N 3.39Å; L735-V739 HydrophobicContact CD1-CB 4.36Å; L735-V739 HydrophobicContact CD1-CG1 4.45Å; V739-G743 VanDerWaalsContact O-CA 3.3Å; V739-G743 WeakPolarHBondContact O-CA 3.45Å; V739-G743 PolarHBondContact O-N 3.21Å
740	M	92.7	Very high	94.2	Very high	118 Å²	118	51.4 Å²	51.4	58%	0.581	27%	0.27	S	S	*	.	I	π-helix	trans	-81.4	-56.2	-172.5	-169.3	179.5	69.9	0	0	113.2	L735 S736 L744	L735-M740 WeakPolarHBondContact O-CB 3.48Å; L735-M740 PolarHBondContact O-N 3.01Å; S736-M740 WeakPolarHBondContact O-CB 3.48Å; M740-L744 VanDerWaalsContact O-CB 3.29Å; M740-L744 WeakPolarHBondContact O-CB 3.4Å; M740-L744 PolarHBondContact O-N 3.01Å
741	M	94.1	Very high	94.3	Very high	124 Å²	124	51.5 Å²	51.5	61%	0.611	27%	0.271	S	S	*	.	I	π-helix	trans	-72.6	-52.2	-176	-68.7	-178.1	70.3	0	0	112.8	S736 I737 G743 L744 S745	S736-M741 WeakPolarHBondContact O-CG 3.43Å; S736-M741 PolarHBondContact O-N 3.5Å; I737-M741 PolarHBondContact O-N 2.97Å; M741-G743 VanDerWaalsContact C-N 3.34Å; M741-L744 PolarHBondContact O-N 3.14Å; M741-S745 PolarHBondContact O-N 3.12Å
742	E	94.4	Very high	94.5	Very high	46 Å²	46	55.7 Å²	55.7	22%	0.215	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-36.7	177.1	-76.2	-69.2	150.9	0	0	111.6	L699 I737 L738 S745 A746	L699-E742 HydrophobicContact CD1-CG 4.3Å; I737-E742 PolarHBondContact O-N 3.44Å; L738-E742 WeakPolarHBondContact O-CB 3.41Å; E742-S745 WeakPolarHBondContact O-CB 3.18Å; E742-S745 PolarHBondContact O-N 3.45Å; E742-A746 WeakPolarHBondContact O-CB 3.31Å; E742-A746 PolarHBondContact O-N 3.44Å
743	G	93.8	Very high	94.5	Very high	7 Å²	7	50.4 Å²	50.4	7%	0.072	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-43.8	172.7	0	0	0	0	0	112.5	F353 V739 M741 S745 A746 F747	F353-G743 WeakPolarHBondContact CE2-O 3.17Å; V739-G743 VanDerWaalsContact O-CA 3.3Å; V739-G743 WeakPolarHBondContact O-CA 3.45Å; V739-G743 PolarHBondContact O-N 3.21Å; M741-G743 VanDerWaalsContact C-N 3.34Å; G743-S745 VanDerWaalsContact C-N 3.35Å; G743-S745 PolarHBondContact O-N 2.99Å; G743-A746 PolarHBondContact O-N 3.21Å; G743-F747 WeakPolarHBondContact O-CB 3.41Å; G743-F747 PolarHBondContact O-N 3.25Å
744	L	94.1	Very high	94.5	Very high	97 Å²	97	47.8 Å²	47.8	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-38.9	175.1	-175	66.8	0	0	0	112.1	M740 M741 F747 L748	M740-L744 VanDerWaalsContact O-CB 3.29Å; M740-L744 WeakPolarHBondContact O-CB 3.4Å; M740-L744 PolarHBondContact O-N 3.01Å; M741-L744 PolarHBondContact O-N 3.14Å; L744-F747 WeakPolarHBondContact O-CB 3.37Å; L744-F747 PolarHBondContact O-N 3.04Å; L744-L748 WeakPolarHBondContact O-CG 3.4Å; L744-L748 PolarHBondContact O-N 3.08Å
745	S	94.8	Very high	94.5	Very high	38 Å²	38	50.7 Å²	50.7	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-50.9	174.4	-180	0	0	0	0	111.7	M741 E742 G743 F747 L748 H749	M741-S745 PolarHBondContact O-N 3.12Å; E742-S745 WeakPolarHBondContact O-CB 3.18Å; E742-S745 PolarHBondContact O-N 3.45Å; G743-S745 VanDerWaalsContact C-N 3.35Å; G743-S745 PolarHBondContact O-N 2.99Å; S745-F747 VanDerWaalsContact C-N 3.3Å; S745-F747 PolarHBondContact O-N 3.49Å; S745-L748 PolarHBondContact O-N 3.48Å; S745-H749 WeakPolarHBondContact O-CB 3.43Å; S745-H749 PolarHBondContact O-CD2 3.45Å; S745-H749 PolarHBondContact O-N 3.42Å
746	A	95.6	Very high	94.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-37.9	176.3	0	0	0	0	0	112.2	F353 M356 F357 E742 G743 H749 A750	F353-A746 HydrophobicContact CD2-CB 3.97Å; F353-A746 HydrophobicContact CE2-CB 3.79Å; M356-A746 HydrophobicContact CB-CB 4.01Å; M356-A746 HydrophobicContact SD-CB 4.33Å; F357-A746 HydrophobicContact CB-CB 4.47Å; E742-A746 WeakPolarHBondContact O-CB 3.31Å; E742-A746 PolarHBondContact O-N 3.44Å; G743-A746 PolarHBondContact O-N 3.21Å; A746-H749 PolarHBondContact O-N 3.05Å; A746-A750 WeakPolarHBondContact O-CB 3.45Å; A746-A750 PolarHBondContact O-N 2.98Å
747	F	95.2	Very high	94.4	Very high	46 Å²	46	47.6 Å²	47.6	20%	0.202	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-50.9	175	173.7	-88.7	0	0	0	112.1	I327 F349 F353 I399 M403 G743 L744 S745 H749 A750 L751	I327-F747 HydrophobicContact CD1-CZ 4.25Å; F349-F747 AromaticContact CE1-CD2 3.8Å; F349-F747 HydrophobicContact CE1-CD2 3.8Å; F349-F747 AromaticContact CE1-CE2 3.56Å; F349-F747 HydrophobicContact CE1-CE2 3.56Å; F349-F747 HydrophobicContact CE1-CZ 4.47Å; F349-F747 AromaticContact CZ-CD2 3.46Å; F349-F747 HydrophobicContact CZ-CD2 3.46Å; F349-F747 VanDerWaalsContact CZ-CD2 3.46Å; F349-F747 AromaticContact CZ-CE2 3.31Å; F349-F747 HydrophobicContact CZ-CE2 3.31Å; F349-F747 HydrophobicContact CZ-CG 4.19Å; F349-F747 AromaticContact CZ-CZ 3.92Å; F349-F747 HydrophobicContact CZ-CZ 3.92Å; F353-F747 HydrophobicContact CD2-CB 4.26Å; F353-F747 HydrophobicContact CE2-CB 4.22Å; I399-F747 HydrophobicContact CG2-CE2 4.36Å; M403-F747 HydrophobicContact CE-CD2 3.98Å; M403-F747 HydrophobicContact CE-CE2 4.43Å; M403-F747 HydrophobicContact SD-CD2 3.75Å; M403-F747 HydrophobicContact SD-CE2 4.38Å; G743-F747 WeakPolarHBondContact O-CB 3.41Å; G743-F747 PolarHBondContact O-N 3.25Å; L744-F747 WeakPolarHBondContact O-CB 3.37Å; L744-F747 PolarHBondContact O-N 3.04Å; S745-F747 VanDerWaalsContact C-N 3.3Å; S745-F747 PolarHBondContact O-N 3.49Å; F747-H749 VanDerWaalsContact C-N 3.28Å; F747-H749 PolarHBondContact O-N 3.35Å; F747-A750 PolarHBondContact O-N 3.36Å; F747-L751 HydrophobicContact CE1-CD2 4.45Å; F747-L751 WeakPolarHBondContact O-CB 3.48Å; F747-L751 PolarHBondContact O-N 2.9Å
748	L	95.3	Very high	94.3	Very high	97 Å²	97	44 Å²	44	51%	0.508	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-34.4	179.1	-70.3	175.6	0	0	0	112.2	L744 S745 L751 R752	L744-L748 WeakPolarHBondContact O-CG 3.4Å; L744-L748 PolarHBondContact O-N 3.08Å; S745-L748 PolarHBondContact O-N 3.48Å; L748-L751 WeakPolarHBondContact O-CB 3.46Å; L748-L751 PolarHBondContact O-N 3.47Å; L748-R752 PolarHBondContact O-N 2.72Å
749	H	96	Very high	94.1	Very high	54 Å²	54	43.8 Å²	43.8	25%	0.25	22%	0.216	C	C	.	.	H	α-helix	trans	-72.2	-37.4	176.9	-77	-47.1	0	0	0	113.2	M356 R688 L692 S745 A746 F747 L751 L753	M356-H749 HydrophobicContact CE-CB 3.95Å; M356-H749 HydrophobicContact SD-CB 3.87Å; R688-H749 WeakPolarHBondContact CD-ND1 3.42Å; R688-H749 HydrophobicContact CG-CB 4.49Å; L692-H749 HydrophobicContact CD1-CB 3.71Å; L692-H749 WeakPolarHBondContact CD1-CD2 3.25Å; S745-H749 WeakPolarHBondContact O-CB 3.43Å; S745-H749 PolarHBondContact O-CD2 3.45Å; S745-H749 PolarHBondContact O-N 3.42Å; A746-H749 PolarHBondContact O-N 3.05Å; F747-H749 VanDerWaalsContact C-N 3.28Å; F747-H749 PolarHBondContact O-N 3.35Å; H749-L751 VanDerWaalsContact C-N 3.31Å; H749-L753 WeakPolarHBondContact O-CG 3.38Å; H749-L753 PolarHBondContact O-N 3.34Å
750	A	95.7	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-38.5	169	0	0	0	0	0	111	F349 F353 A746 F747 L753 H754	F349-A750 HydrophobicContact CD2-CB 4.3Å; F349-A750 HydrophobicContact CE2-CB 4Å; F349-A750 HydrophobicContact CZ-CB 4.5Å; F353-A750 HydrophobicContact CB-CB 4.12Å; A746-A750 WeakPolarHBondContact O-CB 3.45Å; A746-A750 PolarHBondContact O-N 2.98Å; F747-A750 PolarHBondContact O-N 3.36Å; A750-L753 PolarHBondContact O-N 3.46Å; A750-H754 PolarHBondContact O-N 2.84Å; A750-H754 PolarHBondContact O-ND1 3.49Å
751	L	94.8	Very high	93.4	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-46.3	178.2	-174	59.4	0	0	0	111.9	I327 F349 F747 L748 H749 L753 H754 W755	I327-L751 HydrophobicContact CG2-CD1 3.26Å; F349-L751 HydrophobicContact CE2-CB 3.88Å; F349-L751 HydrophobicContact CE2-CD1 4.07Å; F747-L751 HydrophobicContact CE1-CD2 4.45Å; F747-L751 WeakPolarHBondContact O-CB 3.48Å; F747-L751 PolarHBondContact O-N 2.9Å; L748-L751 WeakPolarHBondContact O-CB 3.46Å; L748-L751 PolarHBondContact O-N 3.47Å; H749-L751 VanDerWaalsContact C-N 3.31Å; L751-L753 VanDerWaalsContact C-N 3.32Å; L751-L753 PolarHBondContact O-N 2.68Å; L751-H754 PolarHBondContact O-N 3.08Å; L751-W755 HydrophobicContact CD1-CD2 4.06Å; L751-W755 VanDerWaalsContact CD1-CE2 3.49Å; L751-W755 HydrophobicContact CD1-CG 4.5Å; L751-W755 HydrophobicContact CD1-CH2 4.43Å; L751-W755 HydrophobicContact CD1-CZ2 3.72Å; L751-W755 HydrophobicContact CD2-CD2 4.45Å; L751-W755 HydrophobicContact CD2-CE3 4.35Å; L751-W755 HydrophobicContact CD2-CH2 3.49Å; L751-W755 VanDerWaalsContact CD2-CH2 3.49Å; L751-W755 HydrophobicContact CD2-CZ2 3.59Å; L751-W755 HydrophobicContact CD2-CZ3 3.88Å; L751-W755 HydrophobicContact CG-CD2 3.85Å; L751-W755 HydrophobicContact CG-CE3 4.06Å; L751-W755 HydrophobicContact CG-CH2 3.98Å; L751-W755 HydrophobicContact CG-CZ2 3.75Å; L751-W755 HydrophobicContact CG-CZ3 4.11Å; L751-W755 PolarHBondContact O-N 3.36Å
752	R	95.5	Very high	93	Very high	129 Å²	129	35.8 Å²	35.8	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-55.1	-47.3	175.2	-178.1	174.3	176.7	165.1	1.8	112	L748 H754 W755 V756	L748-R752 PolarHBondContact O-N 2.72Å; R752-H754 PolarHBondContact O-N 3.23Å; R752-H754 VanDerWaalsContact O-N 3.15Å; R752-W755 PolarHBondContact O-N 2.96Å; R752-W755 VanDerWaalsContact O-N 3.16Å; R752-V756 HydrophobicContact CG-CG2 4.37Å; R752-V756 PolarHBondContact O-N 3.24Å
753	L	95.1	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	I	π-helix	trans	-55.9	-29.4	176.9	-69.2	174.7	0	0	0	113.1	M356 Y686 L689 H749 A750 L751 E757 F758	M356-L753 HydrophobicContact CE-CD1 3.57Å; Y686-L753 HydrophobicContact CD1-CD1 4.07Å; Y686-L753 HydrophobicContact CD1-CD2 3.76Å; Y686-L753 HydrophobicContact CD1-CG 4.46Å; Y686-L753 HydrophobicContact CE1-CB 4.32Å; Y686-L753 HydrophobicContact CE1-CD1 4.11Å; Y686-L753 HydrophobicContact CE1-CD2 3.77Å; Y686-L753 HydrophobicContact CE1-CG 4.28Å; Y686-L753 HydrophobicContact CG-CD2 4.21Å; L689-L753 HydrophobicContact CD2-CD1 3.91Å; L689-L753 HydrophobicContact CG-CD1 4.03Å; H749-L753 WeakPolarHBondContact O-CG 3.38Å; H749-L753 PolarHBondContact O-N 3.34Å; A750-L753 PolarHBondContact O-N 3.46Å; L751-L753 VanDerWaalsContact C-N 3.32Å; L751-L753 PolarHBondContact O-N 2.68Å; L753-E757 WeakPolarHBondContact CA-OE2 3.17Å; L753-E757 HydrophobicContact CD2-CG 4.2Å; L753-E757 PolarHBondContact N-OE2 3.43Å; L753-E757 WeakPolarHBondContact O-CB 3.48Å; L753-E757 PolarHBondContact O-N 3.44Å; L753-F758 PolarHBondContact O-N 2.89Å; L753-F758 VanDerWaalsContact O-N 3.15Å
754	H	94.1	Very high	92	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	19%	0.191	C	C	.	.	I	π-helix	trans	-82.4	-45.5	176	-69.6	76.6	0	0	0	112.3	T348 F349 A750 L751 R752 F758 Q759	T348-H754 PolarHBondContact OG1-NE2 2.93Å; F349-H754 WeakPolarHBondContact CA-CE1 3.48Å; F349-H754 AromaticContact CD2-CE1 3.93Å; F349-H754 AromaticContact CD2-ND1 3.73Å; F349-H754 PolarHBondContact N-NE2 3.3Å; A750-H754 PolarHBondContact O-N 2.84Å; A750-H754 PolarHBondContact O-ND1 3.49Å; L751-H754 PolarHBondContact O-N 3.08Å; R752-H754 PolarHBondContact O-N 3.23Å; R752-H754 VanDerWaalsContact O-N 3.15Å; H754-F758 WeakPolarHBondContact O-CB 2.95Å; H754-Q759 WeakPolarHBondContact O-CB 3.35Å; H754-Q759 VanDerWaalsContact O-CG 3.25Å; H754-Q759 WeakPolarHBondContact O-CG 3.35Å; H754-Q759 PolarHBondContact O-N 2.87Å
755	W	93.7	Very high	91.4	Very high	65 Å²	65	32.5 Å²	32.5	25%	0.246	18%	0.176	C	C	.	.	I	π-helix	trans	-69.3	-47.6	-176.9	-70	-13.9	0	0	0	113.3	I327 A330 Y331 L751 R752	I327-W755 WeakPolarHBondContact O-CZ2 3.38Å; I327-W755 PolarHBondContact O-NE1 2.85Å; I327-W755 VanDerWaalsContact O-NE1 3.08Å; A330-W755 HydrophobicContact CB-CZ2 4.21Å; Y331-W755 HydrophobicContact CD2-CB 3.63Å; Y331-W755 AromaticContact CD2-CD2 3.88Å; Y331-W755 HydrophobicContact CD2-CD2 3.88Å; Y331-W755 HydrophobicContact CD2-CE3 4.17Å; Y331-W755 AromaticContact CD2-CG 3.68Å; Y331-W755 HydrophobicContact CD2-CG 3.68Å; Y331-W755 HydrophobicContact CE2-CB 3.85Å; Y331-W755 HydrophobicContact CE2-CG 4.41Å; Y331-W755 HydrophobicContact CG-CB 4.09Å; Y331-W755 HydrophobicContact CG-CD2 4.29Å; Y331-W755 AromaticContact CG-CG 3.91Å; Y331-W755 HydrophobicContact CG-CG 3.91Å; L751-W755 HydrophobicContact CD1-CD2 4.06Å; L751-W755 VanDerWaalsContact CD1-CE2 3.49Å; L751-W755 HydrophobicContact CD1-CG 4.5Å; L751-W755 HydrophobicContact CD1-CH2 4.43Å; L751-W755 HydrophobicContact CD1-CZ2 3.72Å; L751-W755 HydrophobicContact CD2-CD2 4.45Å; L751-W755 HydrophobicContact CD2-CE3 4.35Å; L751-W755 HydrophobicContact CD2-CH2 3.49Å; L751-W755 VanDerWaalsContact CD2-CH2 3.49Å; L751-W755 HydrophobicContact CD2-CZ2 3.59Å; L751-W755 HydrophobicContact CD2-CZ3 3.88Å; L751-W755 HydrophobicContact CG-CD2 3.85Å; L751-W755 HydrophobicContact CG-CE3 4.06Å; L751-W755 HydrophobicContact CG-CH2 3.98Å; L751-W755 HydrophobicContact CG-CZ2 3.75Å; L751-W755 HydrophobicContact CG-CZ3 4.11Å; L751-W755 PolarHBondContact O-N 3.36Å; R752-W755 PolarHBondContact O-N 2.96Å; R752-W755 VanDerWaalsContact O-N 3.16Å
756	V	92.2	Very high	91	Very high	55 Å²	55	38.2 Å²	38.2	33%	0.333	20%	0.199	S	C	.	.	I	π-helix	trans	-93.5	-45.8	-173.7	-178.5	0	0	0	0	111.3	H682 R752 S760	H682-V756 PolarHBondContact CE1-O 3.24Å; H682-V756 VanDerWaalsContact CE1-O 3.22Å; R752-V756 HydrophobicContact CG-CG2 4.37Å; R752-V756 PolarHBondContact O-N 3.24Å; V756-S760 WeakPolarHBondContact O-CB 3.39Å; V756-S760 PolarHBondContact O-OG 3.45Å; V756-S760 VanDerWaalsContact O-OG 3.05Å
757	E	92.5	Very high	90.6	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.014	21%	0.208	C	C	.	.	I	π-helix	trans	-87.8	-31.6	-171	-66.9	81.9	165.8	0	0	114	H682 S685 Y686 L753	H682-E757 HydrophobicContact CB-CB 4.25Å; H682-E757 HydrophobicContact CB-CG 3.74Å; S685-E757 WeakPolarHBondContact CB-OE1 3.47Å; S685-E757 PolarHBondContact OG-OE1 3.41Å; Y686-E757 HydrophobicContact CE2-CB 3.85Å; Y686-E757 HydrophobicContact CE2-CG 4.19Å; L753-E757 WeakPolarHBondContact CA-OE2 3.17Å; L753-E757 HydrophobicContact CD2-CG 4.2Å; L753-E757 PolarHBondContact N-OE2 3.43Å; L753-E757 WeakPolarHBondContact O-CB 3.48Å; L753-E757 PolarHBondContact O-N 3.44Å
758	F	91.7	Very high	90.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.215	C	C	.	.	I	π-helix	trans	-97	-54.5	-178.3	179.3	-114.1	0	0	0	113.2	Y344 Q490 F493 L497 L753 H754 S760 K761 F762	Y344-F758 HydrophobicContact CD2-CZ 4.46Å; Q490-F758 HydrophobicContact CG-CB 4.34Å; Q490-F758 HydrophobicContact CG-CD2 3.7Å; Q490-F758 HydrophobicContact CG-CE2 4.37Å; Q490-F758 HydrophobicContact CG-CG 4.26Å; F493-F758 AromaticContact CD1-CE2 3.71Å; F493-F758 HydrophobicContact CD1-CE2 3.71Å; F493-F758 HydrophobicContact CD1-CZ 4.04Å; F493-F758 HydrophobicContact CE1-CE2 4.25Å; F493-F758 HydrophobicContact CE1-CZ 4.1Å; L497-F758 HydrophobicContact CD1-CE2 4.37Å; L497-F758 HydrophobicContact CD1-CZ 3.88Å; L753-F758 PolarHBondContact O-N 2.89Å; L753-F758 VanDerWaalsContact O-N 3.15Å; H754-F758 WeakPolarHBondContact O-CB 2.95Å; F758-S760 PolarHBondContact O-N 2.9Å; F758-K761 PolarHBondContact O-N 3.33Å; F758-F762 AromaticContact CD1-CE1 3.95Å; F758-F762 HydrophobicContact CD1-CE1 3.95Å; F758-F762 HydrophobicContact CD1-CZ 4.12Å; F758-F762 HydrophobicContact CD2-CE1 4.19Å; F758-F762 AromaticContact CE1-CE1 3.65Å; F758-F762 HydrophobicContact CE1-CE1 3.65Å; F758-F762 AromaticContact CE1-CZ 3.58Å; F758-F762 HydrophobicContact CE1-CZ 3.58Å; F758-F762 AromaticContact CE2-CE1 3.89Å; F758-F762 HydrophobicContact CE2-CE1 3.89Å; F758-F762 HydrophobicContact CG-CE1 4.22Å; F758-F762 AromaticContact CZ-CE1 3.61Å; F758-F762 HydrophobicContact CZ-CE1 3.61Å; F758-F762 AromaticContact CZ-CZ 3.83Å; F758-F762 HydrophobicContact CZ-CZ 3.83Å; F758-F762 WeakPolarHBondContact O-CE1 3.49Å
759	Q	90.4	Very high	90.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66.6	-35.3	-175.3	-75.8	171.7	0.4	0	0	112.4	P341 H754 K761 F762 Y763	P341-Q759 HydrophobicContact CB-CG 4.23Å; P341-Q759 HydrophobicContact CG-CG 4.38Å; H754-Q759 WeakPolarHBondContact O-CB 3.35Å; H754-Q759 VanDerWaalsContact O-CG 3.25Å; H754-Q759 WeakPolarHBondContact O-CG 3.35Å; H754-Q759 PolarHBondContact O-N 2.87Å; Q759-K761 PolarHBondContact O-N 3.42Å; Q759-F762 PolarHBondContact O-N 3.37Å; Q759-F762 VanDerWaalsContact O-N 3.14Å; Q759-Y763 HydrophobicContact CB-CD1 4.34Å; Q759-Y763 HydrophobicContact CB-CG 4.43Å; Q759-Y763 WeakPolarHBondContact O-CB 3.46Å; Q759-Y763 PolarHBondContact O-N 3.42Å
760	S	86.6	Confident	90.2	Very high	53 Å²	53	38.2 Å²	38.2	37%	0.371	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.8	-7.2	179.7	92.4	0	0	0	0	115.2	V756 F758	V756-S760 WeakPolarHBondContact O-CB 3.39Å; V756-S760 PolarHBondContact O-OG 3.45Å; V756-S760 VanDerWaalsContact O-OG 3.05Å; F758-S760 PolarHBondContact O-N 2.9Å
761	K	85.1	Confident	90	Very high	17 Å²	17	42.2 Å²	42.2	7%	0.074	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-93.1	-22	-178.8	-59.3	-56.6	-176	-177	0	113.8	V495 F675 F758 Q759	V495-K761 HydrophobicContact CG2-CB 4.12Å; V495-K761 HydrophobicContact CG2-CD 4.07Å; V495-K761 HydrophobicContact CG2-CG 4.12Å; F675-K761 HydrophobicContact CE2-CD 4.11Å; F758-K761 PolarHBondContact O-N 3.33Å; Q759-K761 PolarHBondContact O-N 3.42Å
762	F	86.5	Confident	89.9	Confident	21 Å²	21	43 Å²	43	9%	0.092	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.1	-11.2	-175	67	-90.8	0	0	0	114.6	V339 P341 G494 L497 F758 Q759	V339-F762 HydrophobicContact CB-CD2 4.05Å; V339-F762 HydrophobicContact CB-CE2 4.17Å; V339-F762 HydrophobicContact CG1-CE2 4.28Å; V339-F762 HydrophobicContact CG2-CD2 4.25Å; P341-F762 HydrophobicContact CB-CE2 4.06Å; P341-F762 HydrophobicContact CB-CZ 3.87Å; G494-F762 WeakPolarHBondContact O-CD1 3.41Å; L497-F762 HydrophobicContact CB-CB 4.31Å; L497-F762 HydrophobicContact CB-CD1 4.19Å; L497-F762 HydrophobicContact CB-CD2 4.41Å; L497-F762 HydrophobicContact CB-CG 4.04Å; L497-F762 HydrophobicContact CD1-CD1 4.25Å; L497-F762 HydrophobicContact CD1-CE1 3.91Å; L497-F762 HydrophobicContact CD1-CE2 4.33Å; L497-F762 HydrophobicContact CD1-CZ 3.95Å; F758-F762 AromaticContact CD1-CE1 3.95Å; F758-F762 HydrophobicContact CD1-CE1 3.95Å; F758-F762 HydrophobicContact CD1-CZ 4.12Å; F758-F762 HydrophobicContact CD2-CE1 4.19Å; F758-F762 AromaticContact CE1-CE1 3.65Å; F758-F762 HydrophobicContact CE1-CE1 3.65Å; F758-F762 AromaticContact CE1-CZ 3.58Å; F758-F762 HydrophobicContact CE1-CZ 3.58Å; F758-F762 AromaticContact CE2-CE1 3.89Å; F758-F762 HydrophobicContact CE2-CE1 3.89Å; F758-F762 HydrophobicContact CG-CE1 4.22Å; F758-F762 AromaticContact CZ-CE1 3.61Å; F758-F762 HydrophobicContact CZ-CE1 3.61Å; F758-F762 AromaticContact CZ-CZ 3.83Å; F758-F762 HydrophobicContact CZ-CZ 3.83Å; F758-F762 WeakPolarHBondContact O-CE1 3.49Å; Q759-F762 PolarHBondContact O-N 3.37Å; Q759-F762 VanDerWaalsContact O-N 3.14Å
763	Y	85.2	Confident	89.7	Confident	16 Å²	16	37.9 Å²	37.9	6%	0.063	21%	0.214	C	C	.	.			trans	-107.4	115.3	-173.4	-171.2	-106.1	0	0	0	110.4	Y331 G332 V333 A334 E338 P341 Q759	Y331-Y763 HydrophobicContact CD1-CD1 4.45Å; Y331-Y763 HydrophobicContact CD1-CE1 4.4Å; G332-Y763 PolarHBondContact O-OH 3.28Å; V333-Y763 VanDerWaalsContact C-OH 3.3Å; A334-Y763 WeakPolarHBondContact CA-OH 3.41Å; A334-Y763 HydrophobicContact CB-CD2 4.43Å; A334-Y763 HydrophobicContact CB-CE2 3.41Å; A334-Y763 VanDerWaalsContact CB-CE2 3.41Å; A334-Y763 PolarHBondContact N-OH 3.09Å; E338-Y763 WeakPolarHBondContact OE1-CA 3.31Å; P341-Y763 HydrophobicContact CG-CD2 4.12Å; P341-Y763 HydrophobicContact CG-CE2 4.03Å; Q759-Y763 HydrophobicContact CB-CD1 4.34Å; Q759-Y763 HydrophobicContact CB-CG 4.43Å; Q759-Y763 WeakPolarHBondContact O-CB 3.46Å; Q759-Y763 PolarHBondContact O-N 3.42Å
764	G	81	Confident	89.6	Confident	45 Å²	45	38.7 Å²	38.7	46%	0.464	22%	0.219	S	C	.	.			trans	-77.9	-43.9	177.5	0	0	0	0	0	112.9	E338 E766	E338-G764 PolarHBondContact OE1-N 2.94Å; G764-E766 PolarHBondContact O-N 3.32Å
765	G	82.7	Confident	89.4	Confident	20 Å²	20	38.6 Å²	38.6	21%	0.206	22%	0.219	C	C	.	.			trans	71.8	20.6	173.2	0	0	0	0	0	116	V333	V333-G765 CarbonylContact O-C 3.05Å; V333-G765 WeakPolarHBondContact O-CA 3.05Å
766	E	86.5	Confident	89	Confident	159 Å²	159	39.9 Å²	39.9	74%	0.743	23%	0.23	S	C	*	.	B	Isolated β-bridge	trans	-98.1	7.2	-177.3	-60.5	178	163.5	0	0	113.3	V333 N335 G764	V333-E766 PolarHBondContact O-N 3.42Å; N335-E766 VanDerWaalsContact OD1-C 3.24Å; N335-E766 WeakPolarHBondContact OD1-CA 3.43Å; N335-E766 WeakPolarHBondContact OD1-CB 3.31Å; N335-E766 PolarHBondContact OD1-N 2.98Å; G764-E766 PolarHBondContact O-N 3.32Å
767	G	87.3	Confident	88.7	Confident	22 Å²	22	40 Å²	40	23%	0.227	23%	0.231	C	C	.	.			trans	-76.8	176.8	-177.9	0	0	0	0	0	113	V333 N335	V333-G767 WeakPolarHBondContact O-CA 3.35Å; V333-G767 PolarHBondContact O-N 3.23Å; N335-G767 PolarHBondContact OD1-N 3.06Å
768	Y	92	Very high	88.4	Confident	85 Å²	85	41.9 Å²	41.9	33%	0.333	24%	0.241	S	C	.	.			trans	-125.2	144.5	170.4	63.5	-83.5	0	0	0	110.5	S310 P312 T313	S310-Y768 WeakPolarHBondContact O-CE1 3.21Å; S310-Y768 PolarHBondContact O-OH 2.99Å; P312-Y768 HydrophobicContact CB-CD2 3.92Å; P312-Y768 HydrophobicContact CB-CE2 3.46Å; P312-Y768 VanDerWaalsContact CB-CE2 3.46Å; P312-Y768 WeakPolarHBondContact CD-OH 3.28Å; P312-Y768 HydrophobicContact CG-CE2 4.19Å; T313-Y768 PolarHBondContact N-O 3.22Å
769	L	92.1	Very high	88.1	Confident	82 Å²	82	42 Å²	42	43%	0.429	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-73.8	139.5	-174.4	-174.2	70.3	0	0	0	110.5	V333 T771	V333-L769 HydrophobicContact CG1-CB 4.34Å; V333-L769 HydrophobicContact CG2-CB 4.23Å; L769-T771 PolarHBondContact O-N 3.36Å
770	F	93.1	Very high	87.6	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.048	27%	0.269	C	S	.	.			trans	-66.4	111.1	168.5	-178.3	-113.7	0	0	0	110.7	M10 L34 Q36 W280 P312 T313 Y314 P772	M10-F770 HydrophobicContact CE-CB 4.25Å; M10-F770 HydrophobicContact CE-CD1 4.2Å; M10-F770 HydrophobicContact CE-CD2 3.84Å; M10-F770 HydrophobicContact CE-CE2 4.22Å; M10-F770 HydrophobicContact CE-CG 3.84Å; M10-F770 HydrophobicContact SD-CD2 4.38Å; M10-F770 HydrophobicContact SD-CE2 4.39Å; L34-F770 WeakPolarHBondContact O-CZ 3.28Å; Q36-F770 HydrophobicContact CB-CD2 3.92Å; Q36-F770 HydrophobicContact CB-CE2 3.47Å; Q36-F770 VanDerWaalsContact CB-CE2 3.47Å; Q36-F770 HydrophobicContact CB-CZ 4.28Å; W280-F770 HydrophobicContact CB-CE2 4.42Å; P312-F770 HydrophobicContact CB-CB 3.97Å; P312-F770 HydrophobicContact CB-CD2 4.03Å; P312-F770 HydrophobicContact CG-CD2 3.7Å; P312-F770 HydrophobicContact CG-CE2 4.49Å; T313-F770 WeakPolarHBondContact O-CB 3.39Å; T313-F770 PolarHBondContact O-N 3.29Å; Y314-F770 HydrophobicContact CD1-CD1 4.3Å; Y314-F770 HydrophobicContact CD2-CB 4.34Å; Y314-F770 AromaticContact CD2-CD1 3.79Å; Y314-F770 HydrophobicContact CD2-CD1 3.79Å; Y314-F770 HydrophobicContact CD2-CG 4.48Å; Y314-F770 HydrophobicContact CE2-CD1 4.3Å; Y314-F770 HydrophobicContact CG-CB 4.3Å; Y314-F770 AromaticContact CG-CD1 3.8Å; Y314-F770 HydrophobicContact CG-CD1 3.8Å; Y314-F770 HydrophobicContact CG-CG 4.32Å; F770-P772 HydrophobicContact CD1-CB 4.45Å; F770-P772 HydrophobicContact CD1-CG 4.22Å; F770-P772 HydrophobicContact CE1-CB 3.66Å; F770-P772 HydrophobicContact CE1-CG 3.8Å; F770-P772 HydrophobicContact CZ-CB 3.82Å; F770-P772 HydrophobicContact CZ-CG 4.44Å; F770-P772 WeakPolarHBondContact O-CD 3.41Å
771	T	91.4	Very high	87.3	Confident	84 Å²	84	51.1 Å²	51.1	52%	0.515	28%	0.278	S	S	.	.			trans	-111.5	88.1	176.3	49.4	0	0	0	0	109.5	Q36 L769	Q36-T771 WeakPolarHBondContact CG-O 3.25Å; Q36-T771 PolarHBondContact NE2-OG1 2.98Å; L769-T771 PolarHBondContact O-N 3.36Å
772	P	92.3	Very high	86.9	Confident	33 Å²	33	50.9 Å²	50.9	21%	0.214	28%	0.28	C	S	.	.			trans	-66.7	148.7	-179.3	26.9	-32.4	0	0	0	111.1	G33 F770 S774	G33-P772 WeakPolarHBondContact O-CB 3.36Å; G33-P772 WeakPolarHBondContact O-CG 3.08Å; F770-P772 HydrophobicContact CD1-CB 4.45Å; F770-P772 HydrophobicContact CD1-CG 4.22Å; F770-P772 HydrophobicContact CE1-CB 3.66Å; F770-P772 HydrophobicContact CE1-CG 3.8Å; F770-P772 HydrophobicContact CZ-CB 3.82Å; F770-P772 HydrophobicContact CZ-CG 4.44Å; F770-P772 WeakPolarHBondContact O-CD 3.41Å; P772-S774 PolarHBondContact O-N 3.15Å
773	F	92.6	Very high	86.3	Confident	21 Å²	21	54.3 Å²	54.3	9%	0.092	29%	0.292	C	S	.	.			trans	-69.6	98.8	167.9	179.1	-108.1	0	0	0	108.9	V26 G30 G33 V35 F37 A258 T262 F775 I778	V26-F773 HydrophobicContact CG1-CE1 3.81Å; V26-F773 HydrophobicContact CG1-CZ 4.21Å; G30-F773 VanDerWaalsContact CA-CE1 3.47Å; G33-F773 WeakPolarHBondContact CA-O 3.09Å; V35-F773 WeakPolarHBondContact O-CB 3.12Å; V35-F773 PolarHBondContact O-N 3.03Å; F37-F773 HydrophobicContact CD2-CB 3.88Å; F37-F773 HydrophobicContact CD2-CD1 4.46Å; F37-F773 HydrophobicContact CD2-CG 4.18Å; F37-F773 HydrophobicContact CE2-CB 4.01Å; F37-F773 AromaticContact CE2-CD1 3.93Å; F37-F773 HydrophobicContact CE2-CD1 3.93Å; F37-F773 HydrophobicContact CE2-CG 4.1Å; A258-F773 HydrophobicContact CB-CE2 3.96Å; A258-F773 HydrophobicContact CB-CZ 4.19Å; T262-F773 VanDerWaalsContact OG1-CD2 3.29Å; T262-F773 WeakPolarHBondContact OG1-CD2 3.45Å; T262-F773 WeakPolarHBondContact OG1-CE2 3.03Å; F773-F775 HydrophobicContact CE1-CE1 4.29Å; F773-F775 HydrophobicContact CE1-CZ 4.34Å; F773-F775 AromaticContact CZ-CE1 3.88Å; F773-F775 HydrophobicContact CZ-CE1 3.88Å; F773-F775 HydrophobicContact CZ-CZ 4.32Å; F773-I778 HydrophobicContact CD2-CD1 4Å; F773-I778 HydrophobicContact CE2-CD1 3.79Å
774	S	91.7	Very high	85.5	Confident	16 Å²	16	59.6 Å²	59.6	11%	0.112	32%	0.32	C	S	.	.			trans	-130.4	135.7	178.3	176.7	0	0	0	0	109.7	G30 P772 D776 T777 I778	G30-S774 WeakPolarHBondContact O-CA 3.3Å; P772-S774 PolarHBondContact O-N 3.15Å; S774-D776 VanDerWaalsContact C-N 3.3Å; S774-D776 PolarHBondContact O-N 3.03Å; S774-D776 PolarHBondContact OG-N 3.42Å; S774-T777 PolarHBondContact O-OG1 2.04Å; S774-I778 WeakPolarHBondContact O-CD1 3.35Å; S774-I778 VanDerWaalsContact O-CG1 3.25Å; S774-I778 WeakPolarHBondContact O-CG1 3.49Å; S774-I778 PolarHBondContact O-N 3.4Å
775	F	91.2	Very high	85.1	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-32.5	176.7	-65.7	-53.4	0	0	0	113	S27 G30 E31 A88 K255 A258 I259 F773 T777 I778 L779	S27-F775 VanDerWaalsContact O-CE2 3.31Å; S27-F775 WeakPolarHBondContact O-CE2 3.43Å; G30-F775 WeakPolarHBondContact O-CD2 3.28Å; G30-F775 PolarHBondContact O-N 2.97Å; E31-F775 HydrophobicContact CG-CD2 4.04Å; E31-F775 HydrophobicContact CG-CE2 4.06Å; A88-F775 HydrophobicContact CB-CD2 4.4Å; A88-F775 HydrophobicContact CB-CE2 3.65Å; A88-F775 HydrophobicContact CB-CZ 4.07Å; K255-F775 HydrophobicContact CB-CD1 3.97Å; K255-F775 HydrophobicContact CB-CE1 3.89Å; K255-F775 HydrophobicContact CB-CZ 4.36Å; K255-F775 HydrophobicContact CD-CB 4.25Å; K255-F775 HydrophobicContact CD-CD1 4.23Å; K255-F775 HydrophobicContact CD-CD2 3.99Å; K255-F775 HydrophobicContact CD-CE2 4.39Å; K255-F775 HydrophobicContact CD-CG 3.91Å; K255-F775 HydrophobicContact CG-CB 4.15Å; K255-F775 HydrophobicContact CG-CD1 3.64Å; K255-F775 HydrophobicContact CG-CD2 4.32Å; K255-F775 HydrophobicContact CG-CE1 4.07Å; K255-F775 HydrophobicContact CG-CG 3.78Å; A258-F775 HydrophobicContact CB-CD1 4.46Å; A258-F775 HydrophobicContact CB-CE1 4.21Å; I259-F775 HydrophobicContact CD1-CE1 4.4Å; I259-F775 HydrophobicContact CD1-CZ 3.88Å; I259-F775 HydrophobicContact CG1-CE1 3.98Å; I259-F775 HydrophobicContact CG1-CZ 3.72Å; F773-F775 HydrophobicContact CE1-CE1 4.29Å; F773-F775 HydrophobicContact CE1-CZ 4.34Å; F773-F775 AromaticContact CZ-CE1 3.88Å; F773-F775 HydrophobicContact CZ-CE1 3.88Å; F773-F775 HydrophobicContact CZ-CZ 4.32Å; F775-T777 PolarHBondContact O-N 3Å; F775-I778 PolarHBondContact O-N 3.3Å; F775-L779 WeakPolarHBondContact O-CB 3.41Å; F775-L779 WeakPolarHBondContact O-CG 3.26Å; F775-L779 PolarHBondContact O-N 3.49Å
776	D	85.7	Confident	84.3	Confident	91 Å²	91	67 Å²	67	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-44.3	-179.5	-77.2	-25.4	0	0	0	111.5	N85 S774 L779 E780	N85-D776 PolarHBondContact ND2-OD1 2.87Å; S774-D776 VanDerWaalsContact C-N 3.3Å; S774-D776 PolarHBondContact O-N 3.03Å; S774-D776 PolarHBondContact OG-N 3.42Å; D776-L779 PolarHBondContact O-N 2.57Å; D776-E780 WeakPolarHBondContact O-CB 3.41Å; D776-E780 PolarHBondContact O-N 3.49Å
777	T	84.8	Confident	82.8	Confident	57 Å²	57	61.2 Å²	61.2	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-65.9	-40.6	178.3	58.4	0	0	0	0	111.6	S774 F775 E780 Q781	S774-T777 PolarHBondContact O-OG1 2.04Å; F775-T777 PolarHBondContact O-N 3Å; T777-E780 PolarHBondContact O-N 3.12Å; T777-Q781 WeakPolarHBondContact O-CB 2.84Å; T777-Q781 VanDerWaalsContact O-CG 3.31Å; T777-Q781 WeakPolarHBondContact O-CG 3.47Å; T777-Q781 PolarHBondContact O-N 3.3Å
778	I	86.5	Confident	80.9	Confident	44 Å²	44	65.3 Å²	65.3	23%	0.226	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-42.4	178.3	-64.5	166.4	0	0	0	111	A258 F773 S774 F775 A782	A258-I778 HydrophobicContact CB-CD1 3.81Å; A258-I778 HydrophobicContact CB-CG2 4.46Å; F773-I778 HydrophobicContact CD2-CD1 4Å; F773-I778 HydrophobicContact CE2-CD1 3.79Å; S774-I778 WeakPolarHBondContact O-CD1 3.35Å; S774-I778 VanDerWaalsContact O-CG1 3.25Å; S774-I778 WeakPolarHBondContact O-CG1 3.49Å; S774-I778 PolarHBondContact O-N 3.4Å; F775-I778 PolarHBondContact O-N 3.3Å; I778-A782 VanDerWaalsContact O-CB 3.3Å; I778-A782 WeakPolarHBondContact O-CB 3.18Å; I778-A782 PolarHBondContact O-N 3.28Å
779	L	85.4	Confident	80.3	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-37	178	-69.4	169.6	0	0	0	111.9	T251 R254 F775 D776 R783	T251-L779 HydrophobicContact CG2-CD1 3.62Å; T251-L779 HydrophobicContact CG2-CD2 3.84Å; T251-L779 HydrophobicContact CG2-CG 4.4Å; R254-L779 HydrophobicContact CB-CD2 3.97Å; F775-L779 WeakPolarHBondContact O-CB 3.41Å; F775-L779 WeakPolarHBondContact O-CG 3.26Å; F775-L779 PolarHBondContact O-N 3.49Å; D776-L779 PolarHBondContact O-N 2.57Å; L779-R783 WeakPolarHBondContact O-CG 3.35Å; L779-R783 PolarHBondContact O-N 3.2Å
780	E	79.3	Confident	79.7	Confident	123 Å²	123	63.4 Å²	63.4	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-47.8	175.3	-172.7	170.4	-160.7	0	0	111.7	D776 T777 A782 R783 I784	D776-E780 WeakPolarHBondContact O-CB 3.41Å; D776-E780 PolarHBondContact O-N 3.49Å; T777-E780 PolarHBondContact O-N 3.12Å; E780-A782 VanDerWaalsContact C-N 3.34Å; E780-A782 PolarHBondContact O-N 2.98Å; E780-R783 PolarHBondContact O-N 3.49Å; E780-I784 HydrophobicContact CG-CD1 4.39Å; E780-I784 WeakPolarHBondContact O-CG1 3.4Å; E780-I784 PolarHBondContact O-N 2.71Å; E780-I784 VanDerWaalsContact O-N 3.11Å
781	Q	80.3	Confident	79	Confident	121 Å²	121	66.3 Å²	66.3	57%	0.565	35%	0.35	S	S	*	.	H	α-helix	trans	-57.7	-46.8	174.9	-74.9	174.8	-7.9	0	0	111.7	T777 R783 I784 E785	T777-Q781 WeakPolarHBondContact O-CB 2.84Å; T777-Q781 VanDerWaalsContact O-CG 3.31Å; T777-Q781 WeakPolarHBondContact O-CG 3.47Å; T777-Q781 PolarHBondContact O-N 3.3Å; Q781-R783 VanDerWaalsContact C-N 3.31Å; Q781-R783 PolarHBondContact O-N 2.88Å; Q781-I784 WeakPolarHBondContact O-CB 3.32Å; Q781-I784 PolarHBondContact O-N 2.96Å; Q781-I784 VanDerWaalsContact O-N 3.14Å; Q781-E785 WeakPolarHBondContact O-CG 3.18Å; Q781-E785 PolarHBondContact O-N 3.28Å
782	A	77.1	Confident	78.2	Confident	13 Å²	13	65.2 Å²	65.2	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-35.9	-180	0	0	0	0	0	112.4	R254 I778 E780 I784 E785 D786	R254-A782 VanDerWaalsContact NH1-CB 3.26Å; I778-A782 VanDerWaalsContact O-CB 3.3Å; I778-A782 WeakPolarHBondContact O-CB 3.18Å; I778-A782 PolarHBondContact O-N 3.28Å; E780-A782 VanDerWaalsContact C-N 3.34Å; E780-A782 PolarHBondContact O-N 2.98Å; A782-I784 VanDerWaalsContact C-N 3.34Å; A782-E785 PolarHBondContact O-N 3.23Å; A782-D786 PolarHBondContact O-N 3.05Å
783	R	72.9	Confident	77.3	Confident	93 Å²	93	67.3 Å²	67.3	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-39.1	173.9	-75.5	168.1	-176.8	169.7	4.4	112.1	N85 L779 E780 Q781 G787 D788	N85-R783 PolarHBondContact OD1-NH2 3.38Å; L779-R783 WeakPolarHBondContact O-CG 3.35Å; L779-R783 PolarHBondContact O-N 3.2Å; E780-R783 PolarHBondContact O-N 3.49Å; Q781-R783 VanDerWaalsContact C-N 3.31Å; Q781-R783 PolarHBondContact O-N 2.88Å; R783-G787 PolarHBondContact O-N 3.08Å; R783-D788 PolarHBondContact O-N 3.11Å
784	I	70.1	Confident	76.3	Confident	127 Å²	127	70.3 Å²	70.3	65%	0.651	37%	0.365	S	S	*	.	H	α-helix	trans	-65.4	-44.2	176.7	-64.8	165.6	0	0	0	110.3	E780 Q781 A782 D786 G787	E780-I784 HydrophobicContact CG-CD1 4.39Å; E780-I784 WeakPolarHBondContact O-CG1 3.4Å; E780-I784 PolarHBondContact O-N 2.71Å; E780-I784 VanDerWaalsContact O-N 3.11Å; Q781-I784 WeakPolarHBondContact O-CB 3.32Å; Q781-I784 PolarHBondContact O-N 2.96Å; Q781-I784 VanDerWaalsContact O-N 3.14Å; A782-I784 VanDerWaalsContact C-N 3.34Å; I784-D786 PolarHBondContact O-N 3.39Å; I784-G787 PolarHBondContact O-N 3.38Å; I784-G787 VanDerWaalsContact O-N 3.16Å
785	E	71.4	Confident	75.2	Confident	163 Å²	163	74.2 Å²	74.2	76%	0.762	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-36.6	178.9	-71.5	179.3	175.8	0	0	113.3	Q781 A782 G787	Q781-E785 WeakPolarHBondContact O-CG 3.18Å; Q781-E785 PolarHBondContact O-N 3.28Å; A782-E785 PolarHBondContact O-N 3.23Å; E785-G787 PolarHBondContact O-N 3.01Å
786	D	66.3	Low	74	Confident	57 Å²	57	79.8 Å²	79.8	31%	0.305	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.7	177	-61.7	-44.1	0	0	0	113.1	R254 A782 I784 D788	R254-D786 IonicContact CZ-OD2 2.79Å; R254-D786 IonicContact NH1-OD2 3.41Å; R254-D786 PolarHBondContact NH1-OD2 3.22Å; R254-D786 VanDerWaalsContact NH2-CG 3.34Å; R254-D786 IonicContact NH2-OD1 3.49Å; R254-D786 PolarHBondContact NH2-OD1 3.15Å; R254-D786 IonicContact NH2-OD2 3.98Å; R254-D786 PolarHBondContact NH2-OD2 3.43Å; A782-D786 PolarHBondContact O-N 3.05Å; I784-D786 PolarHBondContact O-N 3.39Å; D786-D788 VanDerWaalsContact C-N 3.35Å
787	G	54.8	Low	73	Confident	37 Å²	37	78.9 Å²	78.9	38%	0.381	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	29.3	-179.9	0	0	0	0	0	114	R386 R783 I784 E785	R386-G787 PolarHBondContact NH1-O 3.36Å; R386-G787 PolarHBondContact NH2-O 3.28Å; R783-G787 PolarHBondContact O-N 3.08Å; I784-G787 PolarHBondContact O-N 3.38Å; I784-G787 VanDerWaalsContact O-N 3.16Å; E785-G787 PolarHBondContact O-N 3.01Å
788	D	47.2	Very low	71.9	Confident	108 Å²	108	80.9 Å²	80.9	58%	0.578	41%	0.411	S	S	*	.			trans	-76.3	0	179.1	-89.4	-16.5	0	0	0	113.5	K73 R386 R783 D786	K73-D788 IonicContact NZ-OD1 3.79Å; K73-D788 PolarHBondContact NZ-OD1 3.19Å; R386-D788 PolarHBondContact NH1-OXT 2.93Å; R783-D788 PolarHBondContact O-N 3.11Å; D786-D788 VanDerWaalsContact C-N 3.35Å

Retrieved 788 of 788 residues in 1013.3 ms (Link to these results)

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