A0A087YBE9_POEFO Loading...

Cytoplasmic FMR1-interacting protein

AlphaFold DB , UniProt , Accession A0A087YBE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,253 aa.

						>A0A087YBE9_POEFO|A0A087YBE9
MASTVTLEDALSNVDLLEELPLPDQQPCIEPLPASVMYQPNFNTNFEDRNAFVTGIARYIEQATVHSNMNDMLEEGQEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMNFMYFQRSAIDRFCGEVRRLCHTERRKDFVSEAYLLTLGKFINMFAVLDELKNMKCSVKNDHSAYKRAAQFLRKMSEPSSIQESQNLSMFLANHNKITQSLQQQLEVINGYEELLADIVNLCVDYYENKLYLTPSEKHMLLKVMGFGLYLMDGNSSNIYKLDAKKRINLTKIDKFFKQLQVVPLFGDMQIELSRYIKTSAHFEENKSKWTCTSISSSPQYNICEQMIQIREDHMRFISELARYSNSEVVTGSGRQESQKTDAEYRKLFDLALQGIQLLSQWSAHVMEVYSWKLVHPTDKYSNKECPDNAEEYERATRYNYTSEEKFALVEVMAMIKGLQVLMGRMESVFNHAIRHTIYSALQDFAQITLRDPLRQAIKKKKNVIQSVLQAIRKTVCDWETGREPHNDPALRGEKDPKGGFDIKVPRRAVGPSSTQLYMVRTMLESLIADKSGSKKTLRSSLEGPTILDIEKFHKESFFYTHLLNFSETLQQCCDLSQLWFREFFLELTMGRRIQFPIEMSMPWILTDHILDTKEASMMEYVLYPLDLYNDSAHYALTKFKKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKILAGSLLLDKRLRADCKNQGANIPWPTSNRYETLLKQRHVQLLGRSIDLNRLITQRVSAALHKSLELAINRFESEDLTSIMELEGLLEVNRMTHKLLSKFLTLDSFDAMFREANHNVSAPYGRITLHVFWELNYDFLPNYCYNGSTNRFVRTILPFSQEFQRDKPPNAQPHYLYGSKTLNLAYSSTFTTYRNFLGPPHIKVMCRLLGYQGIAVVMEELLKVVKSLLQGTILQYVKTLMEVMPKICRLPRHEYGSPGILEFFHHQLKDIVEYAELKTVCFQNLREVGNALLFCLLSEQSLSQEEVCDLLHAAPFQNILPRVHVKDGERLDAKMKRLEAKYTALHMVPLIERLGTPQQIAIAREGDLLTKERLCCGLSMFEVILTRVRGFLDDAIWRGPLPSNGVMHVDECVEFHRLWSAMQFVYCIPVGAHEFTVEQCFGDGLHWAGCMIIALLGQQRRFDILDFSYHLLKVQKHDGKDEIIKNVPLKKMVDRIRKFQVLNDEIFAILNKYMKSGDGENMPVEHVRCFQPPIHQSLASS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	49.6	Very low	246 Å²	246	114.3 Å²	114.3	100%	1.212	67%	0.667	S	S	*	*				0	111.3	0	-74.9	-174.4	-121.4	0	0	106.8	S3	M1-S3 PolarHBondContact O-N 3Å
2	A	34.4	Very low	49.4	Very low	105 Å²	105	110.1 Å²	110.1	87%	0.868	65%	0.648	S	S	*	*			trans	-77.8	110.2	176.8	0	0	0	0	0	107.9	T4	A2-T4 PolarHBondContact O-N 3.25Å
3	S	36.3	Very low	50.1	Low	107 Å²	107	109.2 Å²	109.2	75%	0.748	64%	0.639	S	S	*	*			trans	-70.7	122.7	172.7	51	0	0	0	0	108.9	M1 V5	M1-S3 PolarHBondContact O-N 3Å; S3-V5 PolarHBondContact O-N 3.09Å
4	T	43.6	Very low	50.9	Low	133 Å²	133	107.4 Å²	107.4	82%	0.816	63%	0.63	S	S	*	*			trans	-59.7	113	170.9	41.6	0	0	0	0	109.6	A2	A2-T4 PolarHBondContact O-N 3.25Å
5	V	43	Very low	51	Low	102 Å²	102	105.9 Å²	105.9	62%	0.618	62%	0.618	S	S	*	*			trans	-70.3	129.8	171	-179.6	0	0	0	0	107.9	S3 D9	S3-V5 PolarHBondContact O-N 3.09Å; V5-D9 HydrophobicContact CG1-CB 3.7Å
6	T	70.4	Confident	50.8	Low	65 Å²	65	102.3 Å²	102.3	40%	0.399	60%	0.595	S	S	.	*			trans	-76.2	159	-179	66.5	0	0	0	0	111.1	E8 D9 A10	T6-E8 PolarHBondContact O-N 3.32Å; T6-D9 PolarHBondContact N-OD2 3.25Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 PolarHBondContact OG1-N 3.25Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; T6-A10 PolarHBondContact O-N 3.18Å
7	L	59.4	Low	50.7	Low	132 Å²	132	103.7 Å²	103.7	69%	0.691	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-33.4	177.5	-179.5	62.3	0	0	0	111.4	A10 L11	L7-A10 PolarHBondContact O-N 3.2Å; L7-L11 HydrophobicContact CD1-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.96Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.19Å
8	E	55.6	Low	50.2	Low	147 Å²	147	107.2 Å²	107.2	69%	0.687	61%	0.609	S	S	*	*	H	α-helix	trans	-66.2	-39.5	173	-73.7	121.2	171.8	0	0	112.3	T6 A10 L11 S12	T6-E8 PolarHBondContact O-N 3.32Å; E8-A10 VanDerWaalsContact C-N 3.29Å; E8-A10 PolarHBondContact O-N 3.17Å; E8-L11 PolarHBondContact O-N 3.14Å; E8-S12 WeakPolarHBondContact O-CB 3.31Å; E8-S12 PolarHBondContact O-N 3.03Å
9	D	52	Low	49.5	Very low	84 Å²	84	110.1 Å²	110.1	45%	0.449	62%	0.617	S	S	.	*	H	α-helix	trans	-63.6	-36.7	172.8	-68.5	-43.2	0	0	0	111.8	V5 T6 N13	V5-D9 HydrophobicContact CG1-CB 3.7Å; T6-D9 PolarHBondContact N-OD2 3.25Å; T6-D9 PolarHBondContact O-N 3.4Å; T6-D9 PolarHBondContact OG1-N 3.25Å; T6-D9 PolarHBondContact OG1-OD2 2.96Å; D9-N13 WeakPolarHBondContact O-CB 3.18Å; D9-N13 PolarHBondContact O-N 3.04Å; D9-N13 PolarHBondContact O-ND2 3.47Å
10	A	62.4	Low	48.9	Very low	44 Å²	44	109.5 Å²	109.5	36%	0.364	61%	0.612	S	S	.	*	H	α-helix	trans	-70.3	-39.9	178.1	0	0	0	0	0	112.5	T6 L7 E8 V14	T6-A10 PolarHBondContact O-N 3.18Å; L7-A10 PolarHBondContact O-N 3.2Å; E8-A10 VanDerWaalsContact C-N 3.29Å; E8-A10 PolarHBondContact O-N 3.17Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 3.29Å
11	L	56.5	Low	48.2	Very low	92 Å²	92	109.4 Å²	109.4	48%	0.482	62%	0.616	S	S	.	*	H	α-helix	trans	-69.7	-43.6	175.4	-76.2	160.3	0	0	0	111.3	L7 E8 N13 V14 D15	L7-L11 HydrophobicContact CD1-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 3.96Å; L7-L11 WeakPolarHBondContact O-CB 3.42Å; L7-L11 WeakPolarHBondContact O-CG 3.44Å; L7-L11 PolarHBondContact O-N 3.19Å; E8-L11 PolarHBondContact O-N 3.14Å; L11-N13 VanDerWaalsContact C-N 3.29Å; L11-N13 PolarHBondContact O-N 3.2Å; L11-V14 CarbonylContact O-C 3.5Å; L11-V14 WeakPolarHBondContact O-CA 3.49Å; L11-V14 WeakPolarHBondContact O-CB 3.48Å; L11-V14 PolarHBondContact O-N 3.14Å; L11-D15 PolarHBondContact O-N 3.45Å
12	S	46.5	Very low	48.6	Very low	64 Å²	64	105.5 Å²	105.5	45%	0.448	60%	0.599	S	S	.	*	H	α-helix	trans	-58.7	-40.8	175.6	-165.3	0	0	0	0	111.5	E8 V14 D15 L16	E8-S12 WeakPolarHBondContact O-CB 3.31Å; E8-S12 PolarHBondContact O-N 3.03Å; S12-V14 VanDerWaalsContact C-N 3.26Å; S12-V14 PolarHBondContact O-N 3.43Å; S12-D15 PolarHBondContact O-N 2.8Å; S12-L16 VanDerWaalsContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CB 3.44Å; S12-L16 VanDerWaalsContact O-CD1 3.28Å; S12-L16 WeakPolarHBondContact O-CD1 3.44Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 2.85Å
13	N	58.4	Low	49.2	Very low	98 Å²	98	105.8 Å²	105.8	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-64.1	-26.5	173.4	-73.5	-30	0	0	0	114	D9 L11	D9-N13 WeakPolarHBondContact O-CB 3.18Å; D9-N13 PolarHBondContact O-N 3.04Å; D9-N13 PolarHBondContact O-ND2 3.47Å; L11-N13 VanDerWaalsContact C-N 3.29Å; L11-N13 PolarHBondContact O-N 3.2Å
14	V	61.3	Low	49.8	Very low	85 Å²	85	105.4 Å²	105.4	52%	0.515	58%	0.582	S	S	.	*	H	α-helix	trans	-82.4	-41.6	175.8	173	0	0	0	0	110.6	A10 L11 S12 L16 L17 E18	A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 3.29Å; L11-V14 CarbonylContact O-C 3.5Å; L11-V14 WeakPolarHBondContact O-CA 3.49Å; L11-V14 WeakPolarHBondContact O-CB 3.48Å; L11-V14 PolarHBondContact O-N 3.14Å; S12-V14 VanDerWaalsContact C-N 3.26Å; S12-V14 PolarHBondContact O-N 3.43Å; V14-L16 PolarHBondContact O-N 3.26Å; V14-L17 WeakPolarHBondContact O-CB 3.24Å; V14-L17 PolarHBondContact O-N 3.4Å; V14-E18 PolarHBondContact O-N 3.36Å
15	D	52.9	Low	50.2	Low	85 Å²	85	107.8 Å²	107.8	46%	0.455	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-33.4	174.9	-61.8	-20.3	0	0	0	110.9	L11 S12 L17 E18 E19	L11-D15 PolarHBondContact O-N 3.45Å; S12-D15 PolarHBondContact O-N 2.8Å; D15-L17 PolarHBondContact O-N 3.29Å; D15-E18 WeakPolarHBondContact O-CB 3.48Å; D15-E18 PolarHBondContact O-N 3.09Å; D15-E19 PolarHBondContact O-N 2.89Å
16	L	48.2	Very low	51	Low	47 Å²	47	104.2 Å²	104.2	25%	0.246	56%	0.56	C	S	.	*	H	α-helix	trans	-61	-25.2	170.9	-92.2	151	0	0	0	114.3	S12 V14 L20 S375	S12-L16 VanDerWaalsContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CB 3.44Å; S12-L16 VanDerWaalsContact O-CD1 3.28Å; S12-L16 WeakPolarHBondContact O-CD1 3.44Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 2.85Å; V14-L16 PolarHBondContact O-N 3.26Å; L16-L20 PolarHBondContact O-N 3.32Å; L16-S375 WeakPolarHBondContact CD2-OG 3.34Å
17	L	49.4	Very low	50.7	Low	127 Å²	127	102.8 Å²	102.8	67%	0.665	55%	0.552	S	S	*	*	H	α-helix	trans	-80.6	-24	173.2	-65	168.4	0	0	0	112	V14 D15 L20	V14-L17 WeakPolarHBondContact O-CB 3.24Å; V14-L17 PolarHBondContact O-N 3.4Å; D15-L17 PolarHBondContact O-N 3.29Å; L17-L20 HydrophobicContact CD2-CD1 4.3Å
18	E	41.2	Very low	50.9	Low	166 Å²	166	100 Å²	100	78%	0.776	54%	0.542	S	S	*	.	H	α-helix	trans	-83.7	-29.7	178.4	-160.6	170	-172.3	0	0	111.9	V14 D15	V14-E18 PolarHBondContact O-N 3.36Å; D15-E18 WeakPolarHBondContact O-CB 3.48Å; D15-E18 PolarHBondContact O-N 3.09Å
19	E	36.4	Very low	51.7	Low	163 Å²	163	93.6 Å²	93.6	76%	0.762	51%	0.513	S	S	*	.	S	Bend	trans	-88.9	-8.3	176.3	-69.2	-169.7	167.8	0	0	114.9	D15 P21	D15-E19 PolarHBondContact O-N 2.89Å; E19-P21 WeakPolarHBondContact O-CD 3.18Å; E19-P21 VanDerWaalsContact O-N 3.11Å
20	L	37.3	Very low	52.2	Low	98 Å²	98	90.7 Å²	90.7	51%	0.513	50%	0.497	S	S	.	.	S	Bend	trans	-63.4	112.7	173.8	-103.3	157.4	0	0	0	108.4	L16 L17 L22	L16-L20 PolarHBondContact O-N 3.32Å; L17-L20 HydrophobicContact CD2-CD1 4.3Å; L20-L22 PolarHBondContact O-N 3Å
21	P	35.3	Very low	52.1	Low	108 Å²	108	89.4 Å²	89.4	70%	0.701	48%	0.484	S	S	*	.			trans	-58.4	113.7	170.9	24.5	-31.1	0	0	0	106	E19 P23	E19-P21 WeakPolarHBondContact O-CD 3.18Å; E19-P21 VanDerWaalsContact O-N 3.11Å; P21-P23 WeakPolarHBondContact O-CD 3.49Å
22	L	40.9	Very low	52.4	Low	164 Å²	164	88 Å²	88	86%	0.859	48%	0.477	S	S	*	.			trans	-56.4	110	174.6	-70.8	166.3	0	0	0	105.3	L20 D24	L20-L22 PolarHBondContact O-N 3Å; L22-D24 PolarHBondContact O-N 3.44Å
23	P	46.9	Very low	52.8	Low	110 Å²	110	88.3 Å²	88.3	71%	0.714	48%	0.478	S	S	*	.			trans	-56.5	136.8	177	22.8	-30.4	0	0	0	106.7	P21 Q25	P21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-Q25 PolarHBondContact O-N 3.32Å; P23-Q25 VanDerWaalsContact O-N 3.13Å
24	D	47.4	Very low	52.5	Low	100 Å²	100	87.6 Å²	87.6	54%	0.535	49%	0.486	S	S	.	.			trans	-46	127	170.1	-173.1	3.5	0	0	0	107.5	L22 Q26 H754	L22-D24 PolarHBondContact O-N 3.44Å; D24-Q26 PolarHBondContact O-N 2.68Å; D24-H754 IonicContact OD2-CD2 2.62Å; D24-H754 IonicContact OD2-NE2 3.33Å; D24-H754 PolarHBondContact OD2-NE2 2.94Å
25	Q	52.3	Low	51.7	Low	182 Å²	182	87.4 Å²	87.4	85%	0.85	49%	0.488	S	S	*	.	S	Bend	trans	-69.4	12.9	-172.3	-65.9	-174.9	-1.1	0	0	112.6	P23	P23-Q25 PolarHBondContact O-N 3.32Å; P23-Q25 VanDerWaalsContact O-N 3.13Å
26	Q	61	Low	51	Low	28 Å²	28	90.7 Å²	90.7	13%	0.131	51%	0.511	C	S	.	.			trans	-69.1	126.9	177.1	-176.1	168.4	-33	0	0	110.9	D24 C28 R753 H754	D24-Q26 PolarHBondContact O-N 2.68Å; Q26-C28 PolarHBondContact O-N 3.38Å; Q26-R753 VanDerWaalsContact OE1-N 3.08Å; Q26-H754 VanDerWaalsContact CD-CE1 3.42Å; Q26-H754 PolarHBondContact NE2-CE1 3.09Å; Q26-H754 PolarHBondContact OE1-CD2 2.7Å; Q26-H754 PolarHBondContact OE1-CE1 3.37Å; Q26-H754 PolarHBondContact OE1-NE2 3.04Å
27	P	63.8	Low	50.8	Low	34 Å²	34	92.1 Å²	92.1	22%	0.221	52%	0.517	C	S	.	.			trans	-61.6	130.2	170.3	-21.8	33.9	0	0	0	110.9	I29 T748 K751 Q752	P27-I29 VanDerWaalsContact C-N 3.28Å; P27-I29 PolarHBondContact O-N 3.15Å; P27-T748 HydrophobicContact CB-CG2 4.09Å; P27-T748 HydrophobicContact CG-CG2 4.16Å; P27-K751 HydrophobicContact CG-CB 4.26Å; P27-K751 HydrophobicContact CG-CD 3.85Å; P27-Q752 PolarHBondContact O-NE2 3.36Å
28	C	62.4	Low	50.4	Low	73 Å²	73	96.2 Å²	96.2	49%	0.493	53%	0.525	S	S	.	.			trans	-77	77.6	176.4	-168.9	0	0	0	0	110.1	Q26 R467	Q26-C28 PolarHBondContact O-N 3.38Å; C28-R467 PolarHBondContact SG-NH2 3.41Å
29	I	73.1	Confident	51	Low	14 Å²	14	91.8 Å²	91.8	7%	0.072	51%	0.505	C	S	.	.			trans	-106.3	22.6	170.9	58	159.7	0	0	0	111.5	P27 L665 Y666 L749 Q752	P27-I29 VanDerWaalsContact C-N 3.28Å; P27-I29 PolarHBondContact O-N 3.15Å; I29-L665 HydrophobicContact CD1-CD1 3.8Å; I29-L665 HydrophobicContact CG1-CD1 4.2Å; I29-Y666 WeakPolarHBondContact CA-OH 3.49Å; I29-L749 HydrophobicContact CD1-CD2 3.96Å; I29-Q752 HydrophobicContact CD1-CG 4.1Å; I29-Q752 HydrophobicContact CG1-CG 4.37Å
30	E	62.3	Low	51.7	Low	22 Å²	22	87.4 Å²	87.4	10%	0.103	49%	0.49	C	S	.	.	S	Bend	trans	-119.2	146.1	179	-69	-176.7	-160.8	0	0	110.5	L665 Q752 V755 Q756	E30-L665 HydrophobicContact CG-CD1 4.26Å; E30-Q752 PolarHBondContact OE1-OE1 2.99Å; E30-V755 VanDerWaalsContact OE1-CA 3.22Å; E30-V755 WeakPolarHBondContact OE1-CA 3.38Å; E30-V755 WeakPolarHBondContact OE1-CG2 3.15Å; E30-V755 WeakPolarHBondContact OE2-CA 3.36Å; E30-Q756 PolarHBondContact OE2-N 2.67Å
31	P	61.3	Low	52.8	Low	17 Å²	17	88.4 Å²	88.4	11%	0.11	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-68.9	173.5	171.4	19.3	-20.9	0	0	0	112.9	K459 V463 D669	P31-K459 HydrophobicContact CB-CB 4.06Å; P31-K459 HydrophobicContact CB-CD 4.1Å; P31-K459 HydrophobicContact CB-CG 4.26Å; P31-K459 HydrophobicContact CG-CD 4.23Å; P31-V463 VanDerWaalsContact C-CG2 3.5Å; P31-D669 WeakPolarHBondContact CB-OD2 3.22Å; P31-D669 HydrophobicContact CG-CB 3.45Å; P31-D669 VanDerWaalsContact CG-CB 3.45Å; P31-D669 VanDerWaalsContact CG-OD1 3.28Å; P31-D669 WeakPolarHBondContact CG-OD1 3.38Å; P31-D669 WeakPolarHBondContact CG-OD2 3.37Å
32	L	61.4	Low	54.1	Low	62 Å²	62	89.4 Å²	89.4	33%	0.325	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-67.3	125.3	-178.2	-163.2	93.4	0	0	0	109	A34 V463	L32-A34 PolarHBondContact O-N 3.21Å; L32-V463 HydrophobicContact CB-CG2 3.93Å; L32-V463 HydrophobicContact CD1-CG1 4.46Å; L32-V463 HydrophobicContact CD1-CG2 4.45Å
33	P	56.1	Low	55.5	Low	71 Å²	71	85.2 Å²	85.2	46%	0.461	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-60.5	127.8	176.8	18.9	-28.2	0	0	0	110.6	S35 Q756	P33-S35 PolarHBondContact O-N 2.84Å; P33-Q756 HydrophobicContact CB-CB 4.48Å; P33-Q756 HydrophobicContact CB-CG 4.14Å
34	A	51.4	Low	56.8	Low	84 Å²	84	82.3 Å²	82.3	69%	0.694	45%	0.448	S	S	*	.			trans	-73.3	76.2	170.1	0	0	0	0	0	109.4	L32	L32-A34 PolarHBondContact O-N 3.21Å
35	S	43.8	Very low	58.4	Low	80 Å²	80	79.1 Å²	79.1	56%	0.559	43%	0.431	S	S	*	.			trans	-71.7	164.1	168.1	61.4	0	0	0	0	110.2	P33 M37	P33-S35 PolarHBondContact O-N 2.84Å; S35-M37 VanDerWaalsContact C-N 3.26Å; S35-M37 WeakPolarHBondContact O-CG 3.21Å; S35-M37 PolarHBondContact O-N 3.08Å
36	V	39.8	Very low	59.7	Low	154 Å²	154	71.3 Å²	71.3	93%	0.933	40%	0.395	S	S	*	.			trans	-62.4	91.8	171.4	-179.1	0	0	0	0	108.2	Y38	V36-Y38 PolarHBondContact O-N 3.11Å
37	M	44	Very low	60.4	Low	78 Å²	78	77.3 Å²	77.3	38%	0.384	42%	0.423	S	S	.	.			trans	-84.8	113.6	-179.7	-68.8	-122.6	-77.3	0	0	109.1	S35 Q39	S35-M37 VanDerWaalsContact C-N 3.26Å; S35-M37 WeakPolarHBondContact O-CG 3.21Å; S35-M37 PolarHBondContact O-N 3.08Å; M37-Q39 PolarHBondContact O-N 3.27Å
38	Y	40.6	Very low	61.1	Low	212 Å²	212	78.2 Å²	78.2	83%	0.831	43%	0.426	S	S	*	.			trans	-76.6	100.7	165.3	-179.9	-98	0	0	0	108.2	V36 P40	V36-Y38 PolarHBondContact O-N 3.11Å; Y38-P40 WeakPolarHBondContact O-CD 3.37Å
39	Q	53.7	Low	61.8	Low	74 Å²	74	76.4 Å²	76.4	35%	0.346	41%	0.408	S	S	.	.			trans	-93.5	115	175.5	-81.2	178.2	-15.5	0	0	110	M37 N41 S609	M37-Q39 PolarHBondContact O-N 3.27Å; Q39-N41 PolarHBondContact O-N 3.27Å; Q39-S609 PolarHBondContact NE2-OG 3.28Å; Q39-S609 VanDerWaalsContact NE2-OG 3.08Å
40	P	50	Low	62	Low	71 Å²	71	81.4 Å²	81.4	46%	0.461	44%	0.435	S	S	.	.			trans	-69.9	112.7	171.3	27.3	-31.2	0	0	0	109.6	Y38 F42	Y38-P40 WeakPolarHBondContact O-CD 3.37Å; P40-F42 HydrophobicContact CB-CD2 4.44Å; P40-F42 HydrophobicContact CB-CE2 3.74Å; P40-F42 HydrophobicContact CB-CZ 3.77Å; P40-F42 HydrophobicContact CG-CE2 3.73Å; P40-F42 HydrophobicContact CG-CZ 4.05Å; P40-F42 WeakPolarHBondContact O-CD2 3.46Å; P40-F42 PolarHBondContact O-N 3.03Å
41	N	60.8	Low	62.5	Low	119 Å²	119	84.2 Å²	84.2	64%	0.636	46%	0.463	S	S	*	.			trans	-83.6	109.2	173	-176.8	4.5	0	0	0	109.8	Q39 N43	Q39-N41 PolarHBondContact O-N 3.27Å; N41-N43 VanDerWaalsContact OD1-CB 3.28Å; N41-N43 WeakPolarHBondContact OD1-CB 3.37Å; N41-N43 PolarHBondContact OD1-N 2.72Å
42	F	62.9	Low	62.9	Low	129 Å²	129	85.2 Å²	85.2	57%	0.566	47%	0.465	S	S	*	.			trans	-91.3	1.4	176.6	-62.3	-75.7	0	0	0	113.4	P40 T44	P40-F42 HydrophobicContact CB-CD2 4.44Å; P40-F42 HydrophobicContact CB-CE2 3.74Å; P40-F42 HydrophobicContact CB-CZ 3.77Å; P40-F42 HydrophobicContact CG-CE2 3.73Å; P40-F42 HydrophobicContact CG-CZ 4.05Å; P40-F42 WeakPolarHBondContact O-CD2 3.46Å; P40-F42 PolarHBondContact O-N 3.03Å; F42-T44 PolarHBondContact O-N 2.97Å
43	N	71.3	Confident	62.8	Low	75 Å²	75	87.1 Å²	87.1	40%	0.401	48%	0.479	S	S	.	.			trans	-83.6	105.1	174.5	-173	4.9	0	0	0	110.2	N41 N45	N41-N43 VanDerWaalsContact OD1-CB 3.28Å; N41-N43 WeakPolarHBondContact OD1-CB 3.37Å; N41-N43 PolarHBondContact OD1-N 2.72Å; N43-N45 VanDerWaalsContact C-N 3.32Å; N43-N45 PolarHBondContact O-N 3.39Å; N43-N45 PolarHBondContact OD1-N 3.31Å
44	T	73.7	Confident	62.7	Low	49 Å²	49	86.2 Å²	86.2	30%	0.301	47%	0.473	S	S	.	.			trans	-88.3	8.6	-178	53.8	0	0	0	0	113.4	F42 F46 E47 D48 S556	F42-T44 PolarHBondContact O-N 2.97Å; T44-F46 PolarHBondContact O-N 3.37Å; T44-E47 WeakPolarHBondContact O-CB 3.47Å; T44-E47 WeakPolarHBondContact O-CG 3.46Å; T44-E47 PolarHBondContact O-N 3.29Å; T44-D48 PolarHBondContact OG1-OD1 3.15Å; T44-S556 PolarHBondContact OG1-OG 2.94Å
45	N	79.6	Confident	62.6	Low	34 Å²	34	85.8 Å²	85.8	18%	0.182	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	37.9	-173.6	-165.2	26.9	0	0	0	113.3	N43 E47 S67 D71	N43-N45 VanDerWaalsContact C-N 3.32Å; N43-N45 PolarHBondContact O-N 3.39Å; N43-N45 PolarHBondContact OD1-N 3.31Å; N45-E47 PolarHBondContact O-N 3.12Å; N45-S67 PolarHBondContact ND2-O 3.48Å; N45-S67 PolarHBondContact ND2-OG 3.22Å; N45-S67 WeakPolarHBondContact O-CB 3.4Å; N45-S67 PolarHBondContact O-OG 2.89Å; N45-D71 PolarHBondContact ND2-OD1 3.2Å
46	F	80.4	Confident	63.5	Low	18 Å²	18	84 Å²	84	8%	0.079	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	25.3	-178.6	-38	-59.5	0	0	0	116.2	T44 D48 R49 A63 T557 Y560	T44-F46 PolarHBondContact O-N 3.37Å; F46-D48 PolarHBondContact O-N 2.67Å; F46-R49 HydrophobicContact CB-CB 4.34Å; F46-R49 WeakPolarHBondContact O-CB 3.37Å; F46-R49 WeakPolarHBondContact O-CD 3.48Å; F46-R49 WeakPolarHBondContact O-CG 3.39Å; F46-R49 PolarHBondContact O-N 3.07Å; F46-R49 VanDerWaalsContact O-N 3.12Å; F46-R49 PolarHBondContact O-NE 3.43Å; F46-A63 HydrophobicContact CD2-CB 4.45Å; F46-T557 WeakPolarHBondContact CA-OG1 3.31Å; F46-Y560 HydrophobicContact CD1-CD1 4.36Å; F46-Y560 HydrophobicContact CD1-CG 4.28Å; F46-Y560 AromaticContact CE1-CD1 3.94Å; F46-Y560 HydrophobicContact CE1-CD1 3.94Å; F46-Y560 AromaticContact CE1-CD2 3.9Å; F46-Y560 HydrophobicContact CE1-CD2 3.9Å; F46-Y560 AromaticContact CE1-CG 3.46Å; F46-Y560 HydrophobicContact CE1-CG 3.46Å; F46-Y560 VanDerWaalsContact CE1-CG 3.46Å; F46-Y560 HydrophobicContact CE2-CD2 4.43Å; F46-Y560 HydrophobicContact CE2-CE2 4.5Å; F46-Y560 HydrophobicContact CZ-CD1 4.12Å; F46-Y560 AromaticContact CZ-CD2 3.55Å; F46-Y560 HydrophobicContact CZ-CD2 3.55Å; F46-Y560 HydrophobicContact CZ-CE2 4.02Å; F46-Y560 AromaticContact CZ-CG 3.6Å; F46-Y560 HydrophobicContact CZ-CG 3.6Å
47	E	76.5	Confident	64.6	Low	153 Å²	153	80.4 Å²	80.4	72%	0.715	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-55.1	-36.3	176.5	-80.9	174	-175	0	0	113.3	T44 N45 R49	T44-E47 WeakPolarHBondContact O-CB 3.47Å; T44-E47 WeakPolarHBondContact O-CG 3.46Å; T44-E47 PolarHBondContact O-N 3.29Å; N45-E47 PolarHBondContact O-N 3.12Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 3.48Å
48	D	78.5	Confident	66	Low	53 Å²	53	80.9 Å²	80.9	28%	0.283	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-85	6.9	-179.2	63.7	-33.5	0	0	0	114.3	T44 F46 N50 A51 F52 T557	T44-D48 PolarHBondContact OG1-OD1 3.15Å; F46-D48 PolarHBondContact O-N 2.67Å; D48-N50 PolarHBondContact O-N 3.37Å; D48-A51 VanDerWaalsContact O-CB 3.3Å; D48-A51 WeakPolarHBondContact O-CB 3.13Å; D48-A51 PolarHBondContact O-N 2.95Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.49Å; D48-T557 VanDerWaalsContact OD1-CB 3.31Å; D48-T557 WeakPolarHBondContact OD1-CB 3.45Å; D48-T557 PolarHBondContact OD1-OG1 3.18Å
49	R	76.4	Confident	67.7	Low	35 Å²	35	71.7 Å²	71.7	13%	0.132	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-51.5	-31.5	-179.8	63.5	-166.8	145.6	-142.6	-4.3	115.1	F46 E47 A51 F52 I60 A63 S67 T557	F46-R49 HydrophobicContact CB-CB 4.34Å; F46-R49 WeakPolarHBondContact O-CB 3.37Å; F46-R49 WeakPolarHBondContact O-CD 3.48Å; F46-R49 WeakPolarHBondContact O-CG 3.39Å; F46-R49 PolarHBondContact O-N 3.07Å; F46-R49 VanDerWaalsContact O-N 3.12Å; F46-R49 PolarHBondContact O-NE 3.43Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 3.48Å; R49-A51 PolarHBondContact O-N 3.31Å; R49-F52 PolarHBondContact O-N 2.99Å; R49-I60 HydrophobicContact CB-CG2 4.3Å; R49-I60 HydrophobicContact CG-CG2 4.15Å; R49-A63 PolarHBondContact NH1-O 2.96Å; R49-S67 PolarHBondContact NH1-OG 2.94Å; R49-T557 HydrophobicContact CB-CG2 4.24Å
50	N	77.6	Confident	68.7	Low	119 Å²	119	69.2 Å²	69.2	64%	0.636	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11.8	179.5	-67.3	-29.6	0	0	0	113.4	D48 F52 V53	D48-N50 PolarHBondContact O-N 3.37Å; N50-F52 VanDerWaalsContact C-N 3.35Å; N50-V53 VanDerWaalsContact O-CG2 3.22Å; N50-V53 WeakPolarHBondContact O-CG2 3.5Å
51	A	72.3	Confident	69.9	Low	82 Å²	82	72 Å²	72	68%	0.678	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-77.9	-19.7	174.5	0	0	0	0	0	112.9	D48 R49	D48-A51 VanDerWaalsContact O-CB 3.3Å; D48-A51 WeakPolarHBondContact O-CB 3.13Å; D48-A51 PolarHBondContact O-N 2.95Å; R49-A51 PolarHBondContact O-N 3.31Å
52	F	70.1	Confident	70.7	Confident	37 Å²	37	67.2 Å²	67.2	16%	0.162	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-104.9	34.9	-173	-55.6	-75.7	0	0	0	113.3	D48 R49 N50 T54 T517 T557 Q558	D48-F52 WeakPolarHBondContact OD2-CE2 3.49Å; R49-F52 PolarHBondContact O-N 2.99Å; N50-F52 VanDerWaalsContact C-N 3.35Å; F52-T54 PolarHBondContact O-N 3.49Å; F52-T517 HydrophobicContact CB-CG2 4.41Å; F52-T517 HydrophobicContact CD1-CG2 3.78Å; F52-T517 HydrophobicContact CE1-CG2 4.34Å; F52-T517 HydrophobicContact CG-CG2 4.2Å; F52-T557 HydrophobicContact CD2-CG2 3.65Å; F52-T557 HydrophobicContact CE2-CG2 3.79Å; F52-Q558 HydrophobicContact CD1-CG 4.48Å; F52-Q558 HydrophobicContact CE1-CG 3.67Å; F52-Q558 HydrophobicContact CE2-CG 4.36Å; F52-Q558 HydrophobicContact CZ-CG 3.6Å
53	V	58.1	Low	71.5	Confident	103 Å²	103	61.1 Å²	61.1	62%	0.624	35%	0.351	S	S	*	.			trans	-73	69.3	-178.8	-175	0	0	0	0	110.5	N50 I60	N50-V53 VanDerWaalsContact O-CG2 3.22Å; N50-V53 WeakPolarHBondContact O-CG2 3.5Å; V53-I60 HydrophobicContact CG2-CD1 4.04Å
54	T	54.7	Low	72	Confident	52 Å²	52	59.8 Å²	59.8	32%	0.319	35%	0.345	S	S	.	.	S	Bend	trans	-122.7	91.5	172.8	56.7	0	0	0	0	110.3	F52 A513 K516	F52-T54 PolarHBondContact O-N 3.49Å; T54-A513 WeakPolarHBondContact O-CB 3.1Å; T54-K516 HydrophobicContact CG2-CB 4.27Å; T54-K516 HydrophobicContact CG2-CD 4.15Å
55	G	50.4	Low	72.5	Confident	74 Å²	74	58.5 Å²	58.5	76%	0.763	34%	0.337	S	S	*	.	S	Bend	trans	105.4	-30.3	151.5	0	0	0	0	0	118.6
56	I	61.3	Low	72.7	Confident	43 Å²	43	57.3 Å²	57.3	22%	0.221	33%	0.331	C	S	.	.			trans	-142.3	91.6	-177.1	-52.8	173.4	0	0	0	110.9	R58 Y59 V510	I56-R58 HydrophobicContact CG2-CB 3.94Å; I56-R58 PolarHBondContact O-N 3.34Å; I56-Y59 HydrophobicContact CB-CD2 3.86Å; I56-Y59 HydrophobicContact CB-CE2 3.99Å; I56-Y59 HydrophobicContact CD1-CD2 4.48Å; I56-Y59 HydrophobicContact CD1-CE2 3.79Å; I56-Y59 HydrophobicContact CG1-CE2 4.48Å; I56-Y59 HydrophobicContact CG2-CD2 3.74Å; I56-Y59 HydrophobicContact CG2-CE2 3.71Å; I56-Y59 PolarHBondContact O-N 3.5Å; I56-V510 HydrophobicContact CD1-CB 4.5Å; I56-V510 HydrophobicContact CD1-CG2 3.52Å
57	A	63.3	Low	72.9	Confident	78 Å²	78	56.7 Å²	56.7	65%	0.645	33%	0.329	S	S	*	.	H	α-helix	trans	-55.3	-24.7	-179.7	0	0	0	0	0	114.2	Y59 I60 E61	A57-Y59 PolarHBondContact O-N 2.86Å; A57-I60 PolarHBondContact O-N 3.31Å; A57-E61 PolarHBondContact O-N 3.27Å; A57-E61 VanDerWaalsContact O-N 3.13Å
58	R	73.6	Confident	73.3	Confident	89 Å²	89	53 Å²	53	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-39.1	-179.2	-179.2	-177.3	166.8	163.8	-1.6	113.8	I56 Q62 D151 F152	I56-R58 HydrophobicContact CG2-CB 3.94Å; I56-R58 PolarHBondContact O-N 3.34Å; R58-Q62 WeakPolarHBondContact O-CB 3.3Å; R58-Q62 PolarHBondContact O-N 2.85Å; R58-Q62 VanDerWaalsContact O-N 3.07Å; R58-D151 IonicContact CZ-OD2 3.99Å; R58-D151 IonicContact NH1-OD1 3.48Å; R58-D151 IonicContact NH1-OD2 3.5Å; R58-D151 IonicContact NH2-OD2 2.73Å; R58-F152 PolarHBondContact NH2-O 2.81Å
59	Y	77.1	Confident	73.8	Confident	19 Å²	19	50.5 Å²	50.5	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-73.8	-31	-177.9	-62.7	-58.4	0	0	0	112.4	I56 A57 Q62 A63 F152 T564 M565 S568	I56-Y59 HydrophobicContact CB-CD2 3.86Å; I56-Y59 HydrophobicContact CB-CE2 3.99Å; I56-Y59 HydrophobicContact CD1-CD2 4.48Å; I56-Y59 HydrophobicContact CD1-CE2 3.79Å; I56-Y59 HydrophobicContact CG1-CE2 4.48Å; I56-Y59 HydrophobicContact CG2-CD2 3.74Å; I56-Y59 HydrophobicContact CG2-CE2 3.71Å; I56-Y59 PolarHBondContact O-N 3.5Å; A57-Y59 PolarHBondContact O-N 2.86Å; Y59-Q62 PolarHBondContact O-N 2.66Å; Y59-A63 WeakPolarHBondContact O-CB 3.23Å; Y59-A63 PolarHBondContact O-N 3.39Å; Y59-F152 HydrophobicContact CE1-CE1 4.45Å; Y59-T564 HydrophobicContact CD1-CG2 3.88Å; Y59-T564 HydrophobicContact CE1-CG2 4.23Å; Y59-M565 HydrophobicContact CD2-CG 3.8Å; Y59-M565 HydrophobicContact CD2-SD 4.36Å; Y59-M565 HydrophobicContact CE2-CG 3.74Å; Y59-M565 HydrophobicContact CE2-SD 4.47Å; Y59-M565 HydrophobicContact CG-CG 4.41Å; Y59-S568 WeakPolarHBondContact OH-CB 3.3Å; Y59-S568 PolarHBondContact OH-OG 3.45Å
60	I	74.2	Confident	74.4	Confident	21 Å²	21	50.7 Å²	50.7	11%	0.108	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-42.7	176.3	-59.1	174.8	0	0	0	110.2	R49 V53 A57 Q62 A63 T64 M561	R49-I60 HydrophobicContact CB-CG2 4.3Å; R49-I60 HydrophobicContact CG-CG2 4.15Å; V53-I60 HydrophobicContact CG2-CD1 4.04Å; A57-I60 PolarHBondContact O-N 3.31Å; I60-Q62 VanDerWaalsContact C-N 3.32Å; I60-Q62 PolarHBondContact O-N 2.88Å; I60-A63 PolarHBondContact O-N 3.29Å; I60-T64 PolarHBondContact O-N 2.76Å; I60-T64 PolarHBondContact O-OG1 2.96Å; I60-M561 HydrophobicContact CG1-CE 4.08Å
61	E	75.8	Confident	75.1	Confident	129 Å²	129	49 Å²	49	60%	0.603	30%	0.295	S	S	*	.	H	α-helix	trans	-60.3	-43.9	173.8	-170.6	179.8	-178.8	0	0	110.7	A57 T64 V65	A57-E61 PolarHBondContact O-N 3.27Å; A57-E61 VanDerWaalsContact O-N 3.13Å; E61-T64 WeakPolarHBondContact O-CB 3.45Å; E61-T64 PolarHBondContact O-N 3.06Å; E61-V65 WeakPolarHBondContact O-CG2 3.24Å; E61-V65 PolarHBondContact O-N 3.25Å
62	Q	77.1	Confident	76.1	Confident	20 Å²	20	46.6 Å²	46.6	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-41.5	174.9	-170.3	178.2	-8	0	0	112.5	R58 Y59 I60 T64 V65 H66 S154	R58-Q62 WeakPolarHBondContact O-CB 3.3Å; R58-Q62 PolarHBondContact O-N 2.85Å; R58-Q62 VanDerWaalsContact O-N 3.07Å; Y59-Q62 PolarHBondContact O-N 2.66Å; I60-Q62 VanDerWaalsContact C-N 3.32Å; I60-Q62 PolarHBondContact O-N 2.88Å; Q62-T64 VanDerWaalsContact C-N 3.27Å; Q62-T64 PolarHBondContact O-N 3.1Å; Q62-V65 PolarHBondContact O-N 3.4Å; Q62-H66 VanDerWaalsContact O-CB 3.27Å; Q62-H66 WeakPolarHBondContact O-CB 3.5Å; Q62-H66 PolarHBondContact O-N 2.95Å; Q62-S154 PolarHBondContact NE2-OG 3.43Å
63	A	79.4	Confident	77.3	Confident	1 Å²	1	46 Å²	46	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-34.7	174	0	0	0	0	0	112.3	F46 R49 Y59 I60 H66 S67 Y560	F46-A63 HydrophobicContact CD2-CB 4.45Å; R49-A63 PolarHBondContact NH1-O 2.96Å; Y59-A63 WeakPolarHBondContact O-CB 3.23Å; Y59-A63 PolarHBondContact O-N 3.39Å; I60-A63 PolarHBondContact O-N 3.29Å; A63-H66 PolarHBondContact O-N 2.88Å; A63-S67 VanDerWaalsContact O-CB 3.32Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.03Å; A63-Y560 HydrophobicContact CB-CD1 4.38Å; A63-Y560 HydrophobicContact CB-CE1 3.78Å
64	T	82.6	Confident	78.9	Confident	46 Å²	46	47.6 Å²	47.6	28%	0.282	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-47.3	176.6	-53.2	0	0	0	0	111.4	I60 E61 Q62 H66 S67 N68	I60-T64 PolarHBondContact O-N 2.76Å; I60-T64 PolarHBondContact O-OG1 2.96Å; E61-T64 WeakPolarHBondContact O-CB 3.45Å; E61-T64 PolarHBondContact O-N 3.06Å; Q62-T64 VanDerWaalsContact C-N 3.27Å; Q62-T64 PolarHBondContact O-N 3.1Å; T64-H66 VanDerWaalsContact C-N 3.31Å; T64-H66 PolarHBondContact O-N 3.19Å; T64-S67 PolarHBondContact O-N 3.45Å; T64-N68 PolarHBondContact O-N 3.31Å; T64-N68 PolarHBondContact O-ND2 3.27Å
65	V	83.3	Confident	80.9	Confident	23 Å²	23	48.9 Å²	48.9	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-41.8	175.2	178.2	0	0	0	0	110.6	E61 Q62 N68 M69 Y157	E61-V65 WeakPolarHBondContact O-CG2 3.24Å; E61-V65 PolarHBondContact O-N 3.25Å; Q62-V65 PolarHBondContact O-N 3.4Å; V65-N68 PolarHBondContact O-N 3.18Å; V65-M69 HydrophobicContact CG1-CG 4.4Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 2.86Å; V65-M69 VanDerWaalsContact O-N 3.11Å; V65-Y157 HydrophobicContact CG1-CE2 4.33Å; V65-Y157 VanDerWaalsContact CG1-OH 3.27Å; V65-Y157 WeakPolarHBondContact CG1-OH 3.13Å
66	H	83.3	Confident	83	Confident	9 Å²	9	45.4 Å²	45.4	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-46.9	179.6	-168.1	175.5	0	0	0	112.3	Q62 A63 T64 N68 M69 N70 Y157 T160 Y560	Q62-H66 VanDerWaalsContact O-CB 3.27Å; Q62-H66 WeakPolarHBondContact O-CB 3.5Å; Q62-H66 PolarHBondContact O-N 2.95Å; A63-H66 PolarHBondContact O-N 2.88Å; T64-H66 VanDerWaalsContact C-N 3.31Å; T64-H66 PolarHBondContact O-N 3.19Å; H66-N68 PolarHBondContact O-N 3.02Å; H66-M69 PolarHBondContact O-N 3.22Å; H66-M69 VanDerWaalsContact O-N 3.16Å; H66-N70 PolarHBondContact O-N 3.03Å; H66-Y157 HydrophobicContact CB-CD2 3.99Å; H66-Y157 HydrophobicContact CB-CE2 4.35Å; H66-Y157 AromaticContact CG-CD2 3.86Å; H66-T160 PolarHBondContact NE2-OG1 3.22Å; H66-Y560 AromaticContact CE1-CE2 3.98Å; H66-Y560 AromaticContact ND1-CE2 3.58Å; H66-Y560 AromaticContact ND1-CZ 3.7Å; H66-Y560 PolarHBondContact ND1-OH 2.89Å
67	S	84.6	Confident	84.6	Confident	5 Å²	5	47.1 Å²	47.1	4%	0.035	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-49.9	175.9	163.5	0	0	0	0	112.1	N45 R49 A63 T64 M69 N70 D71	N45-S67 PolarHBondContact ND2-O 3.48Å; N45-S67 PolarHBondContact ND2-OG 3.22Å; N45-S67 WeakPolarHBondContact O-CB 3.4Å; N45-S67 PolarHBondContact O-OG 2.89Å; R49-S67 PolarHBondContact NH1-OG 2.94Å; A63-S67 VanDerWaalsContact O-CB 3.32Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 3.03Å; T64-S67 PolarHBondContact O-N 3.45Å; S67-M69 PolarHBondContact O-N 3.46Å; S67-N70 WeakPolarHBondContact O-CB 3.28Å; S67-N70 PolarHBondContact O-N 2.75Å; S67-N70 VanDerWaalsContact O-N 3.08Å; S67-D71 PolarHBondContact O-N 3.34Å
68	N	86.6	Confident	86.2	Confident	74 Å²	74	49.4 Å²	49.4	40%	0.396	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-30.9	178.6	-65.8	-13.9	0	0	0	113	T64 V65 H66	T64-N68 PolarHBondContact O-N 3.31Å; T64-N68 PolarHBondContact O-ND2 3.27Å; V65-N68 PolarHBondContact O-N 3.18Å; H66-N68 PolarHBondContact O-N 3.02Å
69	M	88.8	Confident	87.3	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-73.4	-35.3	176.4	-70	-73.2	-75.7	0	0	111.3	V65 H66 S67 M72 L73 R135 E139 Y157 T160 L161 F164	V65-M69 HydrophobicContact CG1-CG 4.4Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 2.86Å; V65-M69 VanDerWaalsContact O-N 3.11Å; H66-M69 PolarHBondContact O-N 3.22Å; H66-M69 VanDerWaalsContact O-N 3.16Å; S67-M69 PolarHBondContact O-N 3.46Å; M69-M72 PolarHBondContact O-N 3.42Å; M69-L73 PolarHBondContact O-N 3.09Å; M69-R135 HydrophobicContact SD-CG 3.94Å; M69-E139 HydrophobicContact CE-CG 4.49Å; M69-E139 HydrophobicContact SD-CG 4.47Å; M69-Y157 HydrophobicContact CG-CE2 4.39Å; M69-T160 HydrophobicContact CB-CG2 4.24Å; M69-L161 HydrophobicContact CE-CD2 3.84Å; M69-F164 HydrophobicContact CB-CE2 3.82Å; M69-F164 HydrophobicContact CB-CZ 4.11Å; M69-F164 HydrophobicContact CE-CD1 4.28Å; M69-F164 HydrophobicContact CE-CD2 3.88Å; M69-F164 HydrophobicContact CE-CE1 3.92Å; M69-F164 HydrophobicContact CE-CE2 3.5Å; M69-F164 VanDerWaalsContact CE-CE2 3.5Å; M69-F164 HydrophobicContact CE-CG 4.25Å; M69-F164 HydrophobicContact CE-CZ 3.5Å; M69-F164 WeakPolarHBondContact O-CE2 3.44Å; M69-F164 VanDerWaalsContact O-CZ 3.27Å; M69-F164 WeakPolarHBondContact O-CZ 3.42Å; M69-F164 HydrophobicContact SD-CE1 4.42Å; M69-F164 HydrophobicContact SD-CE2 4.19Å; M69-F164 HydrophobicContact SD-CZ 3.8Å
70	N	88.7	Confident	88.2	Confident	40 Å²	40	46 Å²	46	21%	0.214	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-41.2	175	-70.7	-25.6	0	0	0	111.7	H66 S67 M72 L73 E74 T160	H66-N70 PolarHBondContact O-N 3.03Å; S67-N70 WeakPolarHBondContact O-CB 3.28Å; S67-N70 PolarHBondContact O-N 2.75Å; S67-N70 VanDerWaalsContact O-N 3.08Å; N70-M72 PolarHBondContact O-N 3.45Å; N70-L73 WeakPolarHBondContact O-CB 3.2Å; N70-L73 PolarHBondContact O-N 3.26Å; N70-E74 PolarHBondContact O-N 3.43Å; N70-E74 VanDerWaalsContact O-N 3.13Å; N70-T160 WeakPolarHBondContact OD1-CG2 3.38Å
71	D	91.3	Very high	89.3	Confident	82 Å²	82	45.7 Å²	45.7	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-36.4	178.2	-59.3	-19.4	0	0	0	111.6	N45 S67 E74 E75	N45-D71 PolarHBondContact ND2-OD1 3.2Å; S67-D71 PolarHBondContact O-N 3.34Å; D71-E74 PolarHBondContact O-N 3.34Å; D71-E75 PolarHBondContact O-N 2.89Å
72	M	94.9	Very high	90.4	Very high	32 Å²	32	40.7 Å²	40.7	16%	0.158	20%	0.204	C	C	.	.	H	α-helix	trans	-72.7	-27	176.7	-172.6	176	-73.1	0	0	113	M69 N70 G76 F128 A132 R135 F164	M69-M72 PolarHBondContact O-N 3.42Å; N70-M72 PolarHBondContact O-N 3.45Å; M72-G76 PolarHBondContact O-N 2.98Å; M72-F128 HydrophobicContact CG-CE2 3.79Å; M72-F128 HydrophobicContact CG-CZ 4.13Å; M72-F128 WeakPolarHBondContact O-CZ 3.5Å; M72-A132 HydrophobicContact CG-CB 4.44Å; M72-A132 HydrophobicContact SD-CB 3.84Å; M72-R135 HydrophobicContact CE-CB 4.38Å; M72-R135 HydrophobicContact CE-CG 4.25Å; M72-R135 HydrophobicContact SD-CB 4.33Å; M72-R135 HydrophobicContact SD-CG 4.36Å; M72-F164 HydrophobicContact CB-CE1 4.47Å; M72-F164 HydrophobicContact CB-CZ 3.99Å; M72-F164 HydrophobicContact CG-CE1 4.1Å; M72-F164 HydrophobicContact CG-CZ 4.13Å; M72-F164 HydrophobicContact SD-CE1 3.8Å; M72-F164 HydrophobicContact SD-CZ 4.11Å
73	L	94	Very high	91.3	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-40.8	170.8	-72.8	171.5	0	0	0	111.4	M69 N70 G76 Q77 T160 K163 F164 M167	M69-L73 PolarHBondContact O-N 3.09Å; N70-L73 WeakPolarHBondContact O-CB 3.2Å; N70-L73 PolarHBondContact O-N 3.26Å; L73-G76 PolarHBondContact O-N 3.39Å; L73-Q77 PolarHBondContact O-N 2.94Å; L73-T160 HydrophobicContact CD1-CG2 3.94Å; L73-K163 HydrophobicContact CD1-CB 3.8Å; L73-K163 HydrophobicContact CD1-CD 4.18Å; L73-K163 HydrophobicContact CD2-CB 4.1Å; L73-F164 HydrophobicContact CD1-CD2 4.07Å; L73-F164 HydrophobicContact CD1-CE2 3.99Å; L73-F164 HydrophobicContact CD2-CD2 3.58Å; L73-F164 HydrophobicContact CD2-CE2 3.79Å; L73-F164 HydrophobicContact CD2-CG 4.01Å; L73-F164 HydrophobicContact CD2-CZ 4.41Å; L73-F164 HydrophobicContact CG-CD2 3.79Å; L73-F164 HydrophobicContact CG-CE2 3.52Å; L73-F164 HydrophobicContact CG-CZ 4.2Å; L73-M167 HydrophobicContact CD2-CB 4.12Å; L73-M167 HydrophobicContact CD2-SD 3.92Å
74	E	92.6	Very high	92.2	Very high	136 Å²	136	39.7 Å²	39.7	64%	0.636	20%	0.199	S	C	*	.	H	α-helix	trans	-63	-46.1	174.6	-66.6	-64	152.9	0	0	110.8	N70 D71 G76 Q77 E78	N70-E74 PolarHBondContact O-N 3.43Å; N70-E74 VanDerWaalsContact O-N 3.13Å; D71-E74 PolarHBondContact O-N 3.34Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.47Å; E74-Q77 WeakPolarHBondContact O-CB 3.42Å; E74-Q77 PolarHBondContact O-N 3.13Å; E74-Q77 VanDerWaalsContact O-N 3.11Å; E74-E78 PolarHBondContact O-N 3.5Å; E74-E78 VanDerWaalsContact O-N 3.12Å
75	E	95.5	Very high	92.9	Very high	79 Å²	79	37.9 Å²	37.9	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-59.5	-41.6	174.4	-169.5	-173.9	172.5	0	0	111.7	D71 Q77 E78 Y79 F128	D71-E75 PolarHBondContact O-N 2.89Å; E75-Q77 VanDerWaalsContact C-N 3.3Å; E75-Q77 PolarHBondContact O-N 3.34Å; E75-E78 WeakPolarHBondContact O-CB 3.27Å; E75-E78 PolarHBondContact O-N 3.4Å; E75-Y79 HydrophobicContact CG-CD2 4.33Å; E75-Y79 HydrophobicContact CG-CE2 3.86Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.48Å; E75-Y79 PolarHBondContact O-N 3.12Å; E75-F128 HydrophobicContact CB-CE2 3.9Å; E75-F128 VanDerWaalsContact CD-CD2 3.43Å; E75-F128 HydrophobicContact CG-CD2 3.93Å; E75-F128 HydrophobicContact CG-CE2 3.81Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.4Å
76	G	95.9	Very high	93.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-36.1	175.3	0	0	0	0	0	113.4	M72 L73 E74 E78 Y79 A80	M72-G76 PolarHBondContact O-N 2.98Å; L73-G76 PolarHBondContact O-N 3.39Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.47Å; G76-E78 VanDerWaalsContact C-N 3.35Å; G76-Y79 PolarHBondContact O-N 2.96Å; G76-A80 PolarHBondContact O-N 3.29Å
77	Q	94.4	Very high	94.2	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.369	19%	0.192	S	C	.	.	H	α-helix	trans	-65.4	-37.6	174.7	-177.6	64.3	12.7	0	0	111.6	L73 E74 E75 Y79 A80 V81	L73-Q77 PolarHBondContact O-N 2.94Å; E74-Q77 WeakPolarHBondContact O-CB 3.42Å; E74-Q77 PolarHBondContact O-N 3.13Å; E74-Q77 VanDerWaalsContact O-N 3.11Å; E75-Q77 VanDerWaalsContact C-N 3.3Å; E75-Q77 PolarHBondContact O-N 3.34Å; Q77-Y79 VanDerWaalsContact C-N 3.33Å; Q77-Y79 PolarHBondContact O-N 3.33Å; Q77-A80 WeakPolarHBondContact O-CB 3.45Å; Q77-A80 PolarHBondContact O-N 2.96Å; Q77-V81 WeakPolarHBondContact O-CG2 3.49Å; Q77-V81 PolarHBondContact O-N 3.47Å
78	E	95.8	Very high	94.8	Very high	127 Å²	127	40.5 Å²	40.5	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-61.3	-41.1	174.5	-63.1	-169.3	162.9	0	0	112	E74 E75 G76 V81 M82	E74-E78 PolarHBondContact O-N 3.5Å; E74-E78 VanDerWaalsContact O-N 3.12Å; E75-E78 WeakPolarHBondContact O-CB 3.27Å; E75-E78 PolarHBondContact O-N 3.4Å; G76-E78 VanDerWaalsContact C-N 3.35Å; E78-V81 PolarHBondContact O-N 3.26Å; E78-M82 PolarHBondContact O-N 2.78Å
79	Y	97.6	Very high	95.2	Very high	34 Å²	34	38.9 Å²	38.9	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-68	-35.1	173.8	-72.7	-66.6	0	0	0	112.9	E75 G76 Q77 M82 L83 N124 F125 F128	E75-Y79 HydrophobicContact CG-CD2 4.33Å; E75-Y79 HydrophobicContact CG-CE2 3.86Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.48Å; E75-Y79 PolarHBondContact O-N 3.12Å; G76-Y79 PolarHBondContact O-N 2.96Å; Q77-Y79 VanDerWaalsContact C-N 3.33Å; Q77-Y79 PolarHBondContact O-N 3.33Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.11Å; Y79-M82 WeakPolarHBondContact O-CB 3.47Å; Y79-M82 PolarHBondContact O-N 2.96Å; Y79-L83 WeakPolarHBondContact O-CG 3.26Å; Y79-L83 PolarHBondContact O-N 3.39Å; Y79-N124 HydrophobicContact CE1-CB 4.32Å; Y79-N124 WeakPolarHBondContact OH-CB 3.25Å; Y79-F125 HydrophobicContact CD1-CB 3.65Å; Y79-F125 AromaticContact CD1-CD2 3.97Å; Y79-F125 HydrophobicContact CD1-CD2 3.97Å; Y79-F125 HydrophobicContact CD1-CG 4.21Å; Y79-F125 HydrophobicContact CE1-CB 3.8Å; Y79-F125 HydrophobicContact CG-CB 4.42Å; Y79-F125 AromaticContact CG-CD2 3.91Å; Y79-F125 HydrophobicContact CG-CD2 3.91Å; Y79-F128 HydrophobicContact CD2-CB 4.08Å; Y79-F128 AromaticContact CD2-CD1 3.59Å; Y79-F128 HydrophobicContact CD2-CD1 3.59Å; Y79-F128 HydrophobicContact CD2-CD2 4.15Å; Y79-F128 HydrophobicContact CD2-CE1 4.07Å; Y79-F128 AromaticContact CD2-CG 3.64Å; Y79-F128 HydrophobicContact CD2-CG 3.64Å; Y79-F128 HydrophobicContact CE2-CB 3.52Å; Y79-F128 AromaticContact CE2-CD1 3.9Å; Y79-F128 HydrophobicContact CE2-CD1 3.9Å; Y79-F128 AromaticContact CE2-CD2 3.78Å; Y79-F128 HydrophobicContact CE2-CD2 3.78Å; Y79-F128 AromaticContact CE2-CG 3.43Å; Y79-F128 HydrophobicContact CE2-CG 3.43Å; Y79-F128 VanDerWaalsContact CE2-CG 3.43Å; Y79-F128 HydrophobicContact CG-CD1 4.44Å
80	A	97	Very high	95.4	Very high	2 Å²	2	40 Å²	40	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-44.2	173.6	0	0	0	0	0	111.1	G76 Q77 M82 L83 Y84 V170 L171 L174 F308	G76-A80 PolarHBondContact O-N 3.29Å; Q77-A80 WeakPolarHBondContact O-CB 3.45Å; Q77-A80 PolarHBondContact O-N 2.96Å; A80-M82 PolarHBondContact O-N 3.01Å; A80-L83 PolarHBondContact O-N 3.16Å; A80-Y84 WeakPolarHBondContact O-CB 3.35Å; A80-Y84 PolarHBondContact O-N 3.26Å; A80-V170 HydrophobicContact CB-CG1 3.94Å; A80-L171 HydrophobicContact CB-CD2 3.95Å; A80-L174 HydrophobicContact CB-CD1 3.78Å; A80-L174 WeakPolarHBondContact O-CD1 3.38Å; A80-F308 HydrophobicContact CB-CD2 4.02Å; A80-F308 HydrophobicContact CB-CE2 3.46Å; A80-F308 VanDerWaalsContact CB-CE2 3.46Å; A80-F308 HydrophobicContact CB-CZ 3.95Å
81	V	96.9	Very high	95.6	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.085	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-46.2	172.7	170	0	0	0	0	111.1	Q77 E78 L83 Y84 T85 F308 F682	Q77-V81 WeakPolarHBondContact O-CG2 3.49Å; Q77-V81 PolarHBondContact O-N 3.47Å; E78-V81 PolarHBondContact O-N 3.26Å; V81-L83 PolarHBondContact O-N 2.9Å; V81-Y84 PolarHBondContact O-N 3.19Å; V81-T85 HydrophobicContact CG1-CG2 4.41Å; V81-T85 WeakPolarHBondContact O-CB 3.36Å; V81-T85 WeakPolarHBondContact O-CG2 3.31Å; V81-T85 PolarHBondContact O-N 3.12Å; V81-T85 PolarHBondContact O-OG1 3.32Å; V81-F308 HydrophobicContact CG2-CZ 3.95Å; V81-F682 HydrophobicContact CB-CD1 4.41Å; V81-F682 HydrophobicContact CG1-CB 4.31Å; V81-F682 HydrophobicContact CG1-CD1 3.89Å; V81-F682 WeakPolarHBondContact CG1-O 3.48Å; V81-F682 HydrophobicContact CG2-CD1 3.92Å; V81-F682 HydrophobicContact CG2-CE1 4.35Å
82	M	97.2	Very high	95.7	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-49.7	177	-179.6	-156.9	71.5	0	0	111.2	E78 Y79 A80 W86 K121 L122 F125	E78-M82 PolarHBondContact O-N 2.78Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.11Å; Y79-M82 WeakPolarHBondContact O-CB 3.47Å; Y79-M82 PolarHBondContact O-N 2.96Å; A80-M82 PolarHBondContact O-N 3.01Å; M82-W86 HydrophobicContact CE-CZ3 4.4Å; M82-W86 HydrophobicContact CG-CE3 4.03Å; M82-W86 HydrophobicContact CG-CZ3 4.17Å; M82-W86 WeakPolarHBondContact O-CB 3.44Å; M82-W86 PolarHBondContact O-N 2.97Å; M82-W86 HydrophobicContact SD-CE3 4.42Å; M82-W86 HydrophobicContact SD-CZ3 4.06Å; M82-K121 HydrophobicContact SD-CB 3.64Å; M82-K121 HydrophobicContact SD-CD 4.45Å; M82-L122 HydrophobicContact CE-CD2 4.18Å; M82-F125 HydrophobicContact CE-CB 4.06Å; M82-F125 HydrophobicContact CE-CG 4.29Å
83	L	97.4	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-49.7	-179.6	-70.6	171.3	0	0	0	111.7	Y79 A80 V81 T85 W86 F125 L171 L174 K178 V181	Y79-L83 WeakPolarHBondContact O-CG 3.26Å; Y79-L83 PolarHBondContact O-N 3.39Å; A80-L83 PolarHBondContact O-N 3.16Å; V81-L83 PolarHBondContact O-N 2.9Å; L83-T85 VanDerWaalsContact C-N 3.34Å; L83-T85 PolarHBondContact O-N 3.41Å; L83-W86 WeakPolarHBondContact O-CB 3.48Å; L83-W86 PolarHBondContact O-N 2.94Å; L83-F125 HydrophobicContact CD1-CE1 4.03Å; L83-F125 HydrophobicContact CD1-CE2 4.09Å; L83-F125 HydrophobicContact CD1-CZ 3.7Å; L83-F125 HydrophobicContact CD2-CD1 4.44Å; L83-F125 HydrophobicContact CD2-CE1 4.23Å; L83-L171 HydrophobicContact CD1-CD2 4.14Å; L83-L174 HydrophobicContact CB-CB 3.94Å; L83-L174 HydrophobicContact CB-CD1 4.38Å; L83-L174 HydrophobicContact CD1-CB 3.98Å; L83-K178 WeakPolarHBondContact O-CD 3.48Å; L83-K178 WeakPolarHBondContact O-CE 3.48Å; L83-K178 WeakPolarHBondContact O-CG 3.46Å; L83-V181 HydrophobicContact CD2-CG2 4.26Å
84	Y	97.9	Very high	95.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-44.7	-177.4	179.3	-106.1	0	0	0	112.2	A80 V81 W86 L174 M177 K178 F308 D310 F623 E625 F682	A80-Y84 WeakPolarHBondContact O-CB 3.35Å; A80-Y84 PolarHBondContact O-N 3.26Å; V81-Y84 PolarHBondContact O-N 3.19Å; Y84-W86 VanDerWaalsContact C-N 3.29Å; Y84-W86 PolarHBondContact O-N 3.49Å; Y84-L174 HydrophobicContact CD2-CD2 3.96Å; Y84-L174 HydrophobicContact CG-CD2 4.48Å; Y84-M177 HydrophobicContact CD2-CE 4.27Å; Y84-K178 VanDerWaalsContact O-CE 3.23Å; Y84-K178 WeakPolarHBondContact O-CE 3.45Å; Y84-K178 PolarHBondContact O-NZ 3.17Å; Y84-F308 VanDerWaalsContact CB-CE1 3.4Å; Y84-F308 HydrophobicContact CD1-CD1 4.24Å; Y84-F308 AromaticContact CD1-CE1 3.8Å; Y84-F308 HydrophobicContact CD1-CE1 3.8Å; Y84-F308 AromaticContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CE1 4.12Å; Y84-F308 HydrophobicContact CE2-CD1 4.41Å; Y84-F308 AromaticContact CG-CD1 3.67Å; Y84-F308 HydrophobicContact CG-CD1 3.67Å; Y84-F308 AromaticContact CG-CE1 3.51Å; Y84-F308 HydrophobicContact CG-CE1 3.51Å; Y84-D310 WeakPolarHBondContact CE2-OD1 3.29Å; Y84-D310 PolarHBondContact OH-N 2.84Å; Y84-D310 PolarHBondContact OH-OD1 3.4Å; Y84-F623 WeakPolarHBondContact OH-CB 3.29Å; Y84-E625 HydrophobicContact CD1-CB 4.37Å; Y84-E625 HydrophobicContact CD1-CG 4.29Å; Y84-E625 HydrophobicContact CD2-CB 4.25Å; Y84-E625 HydrophobicContact CE1-CB 3.96Å; Y84-E625 HydrophobicContact CE1-CG 3.82Å; Y84-E625 HydrophobicContact CE2-CB 3.83Å; Y84-F682 HydrophobicContact CD1-CE1 4.01Å; Y84-F682 HydrophobicContact CD1-CE2 4.5Å; Y84-F682 AromaticContact CD1-CZ 3.87Å; Y84-F682 HydrophobicContact CD1-CZ 3.87Å; Y84-F682 HydrophobicContact CE1-CE1 4.27Å; Y84-F682 HydrophobicContact CE1-CE2 4.06Å; Y84-F682 AromaticContact CE1-CZ 3.65Å; Y84-F682 HydrophobicContact CE1-CZ 3.65Å
85	T	97.2	Very high	95.3	Very high	8 Å²	8	48.7 Å²	48.7	5%	0.049	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.9	-178.6	63	0	0	0	0	114.1	V81 L83 R87 F682 K684 F686 L687	V81-T85 HydrophobicContact CG1-CG2 4.41Å; V81-T85 WeakPolarHBondContact O-CB 3.36Å; V81-T85 WeakPolarHBondContact O-CG2 3.31Å; V81-T85 PolarHBondContact O-N 3.12Å; V81-T85 PolarHBondContact O-OG1 3.32Å; L83-T85 VanDerWaalsContact C-N 3.34Å; L83-T85 PolarHBondContact O-N 3.41Å; T85-R87 PolarHBondContact O-N 3.46Å; T85-F682 HydrophobicContact CG2-CB 4.37Å; T85-F682 HydrophobicContact CG2-CD1 4.3Å; T85-F682 HydrophobicContact CG2-CG 4.24Å; T85-K684 HydrophobicContact CG2-CG 4.07Å; T85-K684 WeakPolarHBondContact OG1-CE 3.33Å; T85-F686 WeakPolarHBondContact O-CZ 3.38Å; T85-L687 HydrophobicContact CG2-CD1 3.9Å
86	W	97.6	Very high	95	Very high	15 Å²	15	46.5 Å²	46.5	6%	0.057	24%	0.244	C	C	.	.			trans	-74.8	110	176.9	-161.9	-60.7	0	0	0	111	M82 L83 Y84 E118 L122 K178 V181 D184	M82-W86 HydrophobicContact CE-CZ3 4.4Å; M82-W86 HydrophobicContact CG-CE3 4.03Å; M82-W86 HydrophobicContact CG-CZ3 4.17Å; M82-W86 WeakPolarHBondContact O-CB 3.44Å; M82-W86 PolarHBondContact O-N 2.97Å; M82-W86 HydrophobicContact SD-CE3 4.42Å; M82-W86 HydrophobicContact SD-CZ3 4.06Å; L83-W86 WeakPolarHBondContact O-CB 3.48Å; L83-W86 PolarHBondContact O-N 2.94Å; Y84-W86 VanDerWaalsContact C-N 3.29Å; Y84-W86 PolarHBondContact O-N 3.49Å; W86-E118 HydrophobicContact CH2-CB 3.68Å; W86-E118 WeakPolarHBondContact CH2-O 3.47Å; W86-E118 HydrophobicContact CZ2-CB 3.83Å; W86-L122 HydrophobicContact CE3-CD2 4.16Å; W86-L122 HydrophobicContact CH2-CD1 3.8Å; W86-L122 HydrophobicContact CH2-CD2 3.64Å; W86-L122 HydrophobicContact CH2-CG 3.51Å; W86-L122 HydrophobicContact CZ2-CD1 4.08Å; W86-L122 HydrophobicContact CZ2-CD2 4.4Å; W86-L122 HydrophobicContact CZ2-CG 4.29Å; W86-L122 HydrophobicContact CZ3-CD2 3.5Å; W86-L122 VanDerWaalsContact CZ3-CD2 3.5Å; W86-L122 HydrophobicContact CZ3-CG 3.87Å; W86-K178 PolarHBondContact O-NZ 3.11Å; W86-V181 HydrophobicContact CB-CG2 4Å; W86-V181 HydrophobicContact CD2-CG2 3.66Å; W86-V181 HydrophobicContact CE3-CG2 4.14Å; W86-V181 HydrophobicContact CG-CG2 3.58Å; W86-D184 PolarHBondContact NE1-OD2 2.73Å
87	R	96.7	Very high	94.6	Very high	57 Å²	57	55.8 Å²	55.8	22%	0.215	28%	0.284	C	S	.	.			trans	-101.2	149.4	168.4	-67.2	-171.6	178.7	173.5	7.3	110.3	T85 C89 E625 E690	T85-R87 PolarHBondContact O-N 3.46Å; R87-C89 PolarHBondContact O-N 3.23Å; R87-E625 WeakPolarHBondContact CG-OE2 3.45Å; R87-E625 IonicContact CZ-OE1 2.57Å; R87-E625 IonicContact CZ-OE2 3.71Å; R87-E625 IonicContact NE-OE1 3.86Å; R87-E625 PolarHBondContact NE-OE1 2.65Å; R87-E625 IonicContact NE-OE2 2.75Å; R87-E625 PolarHBondContact NE-OE2 3.34Å; R87-E625 IonicContact NH2-OE1 3.34Å; R87-E625 PolarHBondContact NH2-OE1 3.05Å; R87-E625 IonicContact NH2-OE2 3.67Å; R87-E690 IonicContact CZ-OE1 3.82Å; R87-E690 IonicContact CZ-OE2 3.96Å; R87-E690 IonicContact NH1-OE1 2.68Å; R87-E690 PolarHBondContact NH1-OE1 3.35Å; R87-E690 IonicContact NH1-OE2 2.59Å; R87-E690 IonicContact NH2-OE1 2.75Å; R87-E690 PolarHBondContact NH2-OE1 3.21Å; R87-E690 IonicContact NH2-OE2 2.76Å; R87-E690 PolarHBondContact NH2-OE2 3.47Å
88	S	96.2	Very high	94.3	Very high	19 Å²	19	55 Å²	55	13%	0.133	29%	0.286	C	S	.	.			trans	-67.9	116.2	-172.6	-177.4	0	0	0	0	112.9	S90 R91 S180 D184	S88-S90 PolarHBondContact OG-N 3.29Å; S88-S90 PolarHBondContact OG-OG 3.36Å; S88-R91 PolarHBondContact OG-N 3.35Å; S88-S180 WeakPolarHBondContact CB-OG 3.38Å; S88-D184 WeakPolarHBondContact CA-OD2 3.35Å; S88-D184 PolarHBondContact OG-OD1 3.06Å
89	C	95.4	Very high	93.7	Very high	41 Å²	41	55.3 Å²	55.3	28%	0.277	29%	0.292	S	S	.	.	S	Bend	trans	-72.2	-36.7	169.7	-60.9	0	0	0	0	111.2	R87 R91 A92 I93 L115 D184	R87-C89 PolarHBondContact O-N 3.23Å; C89-R91 PolarHBondContact O-N 2.89Å; C89-R91 VanDerWaalsContact O-N 3.17Å; C89-A92 WeakPolarHBondContact O-CA 3.5Å; C89-A92 WeakPolarHBondContact O-CB 3.42Å; C89-A92 PolarHBondContact O-N 2.84Å; C89-I93 WeakPolarHBondContact O-CG1 3.47Å; C89-I93 PolarHBondContact O-N 2.61Å; C89-L115 HydrophobicContact CB-CD2 3.62Å; C89-D184 PolarHBondContact N-OD1 2.77Å; C89-D184 PolarHBondContact N-OD2 3.21Å
90	S	92.9	Very high	93.2	Very high	24 Å²	24	62.3 Å²	62.3	17%	0.168	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.4	-178.1	57.5	0	0	0	0	114	S88 A92 I93 D184	S88-S90 PolarHBondContact OG-N 3.29Å; S88-S90 PolarHBondContact OG-OG 3.36Å; S90-A92 VanDerWaalsContact C-N 3.33Å; S90-I93 PolarHBondContact O-N 2.82Å; S90-D184 WeakPolarHBondContact CB-OD1 3.22Å; S90-D184 PolarHBondContact N-OD1 3.09Å; S90-D184 PolarHBondContact OG-OD1 3.11Å
91	R	93.3	Very high	92.8	Very high	127 Å²	127	64 Å²	64	48%	0.479	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.8	170.4	-70.2	179.4	-170.1	-84.3	3.6	113.4	S88 C89 M632	S88-R91 PolarHBondContact OG-N 3.35Å; C89-R91 PolarHBondContact O-N 2.89Å; C89-R91 VanDerWaalsContact O-N 3.17Å; R91-M632 VanDerWaalsContact CZ-C 3.44Å; R91-M632 PolarHBondContact NH1-O 3.3Å; R91-M632 PolarHBondContact NH2-O 3.47Å
92	A	93.6	Very high	92.4	Very high	89 Å²	89	69.6 Å²	69.6	74%	0.736	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-16.9	176.7	0	0	0	0	0	112.8	C89 S90	C89-A92 WeakPolarHBondContact O-CA 3.5Å; C89-A92 WeakPolarHBondContact O-CB 3.42Å; C89-A92 PolarHBondContact O-N 2.84Å; S90-A92 VanDerWaalsContact C-N 3.33Å
93	I	93.5	Very high	92.1	Very high	37 Å²	37	71.4 Å²	71.4	19%	0.19	38%	0.38	C	S	.	.	S	Bend	trans	-81.2	131.4	-178.7	-64	173.9	0	0	0	110.2	C89 S90 Q95 I107 T111 L115	C89-I93 WeakPolarHBondContact O-CG1 3.47Å; C89-I93 PolarHBondContact O-N 2.61Å; S90-I93 PolarHBondContact O-N 2.82Å; I93-Q95 PolarHBondContact O-N 2.98Å; I93-I107 HydrophobicContact CG2-CG2 4.36Å; I93-T111 HydrophobicContact CD1-CG2 3.94Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.29Å; I93-L115 HydrophobicContact CD1-CD1 3.91Å; I93-L115 HydrophobicContact CD1-CG 4.3Å
94	P	91.1	Very high	91.8	Very high	80 Å²	80	73.8 Å²	73.8	52%	0.519	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-64.3	125.2	176.4	26.4	-34	0	0	0	110.8	I107	P94-I107 HydrophobicContact CB-CD1 4.39Å; P94-I107 HydrophobicContact CG-CD1 4.14Å; P94-I107 HydrophobicContact CG-CG1 4.07Å; P94-I107 HydrophobicContact CG-CG2 4.38Å; P94-I107 WeakPolarHBondContact O-CG2 3.46Å
95	Q	88.5	Confident	91.5	Very high	164 Å²	164	77 Å²	77	77%	0.766	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-74.9	138	-179.6	-65.1	-173.8	-1	0	0	111.7	I93 K97	I93-Q95 PolarHBondContact O-N 2.98Å; Q95-K97 PolarHBondContact O-N 2.92Å
96	V	89.3	Confident	91.3	Very high	33 Å²	33	82.6 Å²	82.6	20%	0.2	43%	0.434	C	S	.	.			trans	-75.2	110.8	171.3	178.9	0	0	0	0	108.7	C98 Q101 R104 I107 Y108	V96-C98 WeakPolarHBondContact CG1-O 3.45Å; V96-Q101 VanDerWaalsContact CA-OE1 3.28Å; V96-Q101 HydrophobicContact CG1-CB 4.44Å; V96-R104 HydrophobicContact CG1-CB 4.27Å; V96-R104 HydrophobicContact CG1-CG 3.77Å; V96-R104 HydrophobicContact CG2-CG 4.14Å; V96-I107 HydrophobicContact CG2-CB 4.41Å; V96-I107 HydrophobicContact CG2-CD1 4.33Å; V96-I107 HydrophobicContact CG2-CG2 4.05Å; V96-Y108 HydrophobicContact CG2-CE1 4.09Å; V96-Y108 HydrophobicContact CG2-CE2 4.12Å
97	K	87.4	Confident	91.1	Very high	196 Å²	196	82.5 Å²	82.5	85%	0.852	44%	0.435	S	S	*	.			trans	-79	-36.3	-173.6	-68.3	-175.4	179.7	179.4	0	113.2	Q95	Q95-K97 PolarHBondContact O-N 2.92Å
98	C	87.1	Confident	91	Very high	62 Å²	62	81.6 Å²	81.6	42%	0.419	43%	0.432	S	S	.	.	S	Bend	trans	-147.2	166.5	-179.5	66.6	0	0	0	0	111.1	V96 E100 Q101	V96-C98 WeakPolarHBondContact CG1-O 3.45Å; C98-E100 PolarHBondContact O-N 3.47Å; C98-Q101 PolarHBondContact O-N 3.19Å
99	N	84.3	Confident	90.8	Very high	135 Å²	135	85.5 Å²	85.5	72%	0.722	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16	-177.3	-75.3	-17.4	0	0	0	114.2	R104	N99-R104 VanDerWaalsContact CB-NH1 3.27Å; N99-R104 PolarHBondContact O-NH1 3Å; N99-R104 PolarHBondContact OD1-NH1 2.87Å
100	E	86.2	Confident	90.8	Very high	180 Å²	180	89.3 Å²	89.3	84%	0.841	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	5	-175.9	-65	157	177.9	0	0	112.4	C98	C98-E100 PolarHBondContact O-N 3.47Å
101	Q	89.6	Confident	90.9	Very high	39 Å²	39	88.5 Å²	88.5	18%	0.182	45%	0.454	C	S	.	.			trans	-64.9	126.1	-177	-177.8	170.9	-20	0	0	111.4	V96 C98 N103 R104	V96-Q101 VanDerWaalsContact CA-OE1 3.28Å; V96-Q101 HydrophobicContact CG1-CB 4.44Å; C98-Q101 PolarHBondContact O-N 3.19Å; Q101-N103 VanDerWaalsContact CG-OD1 3.24Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.42Å; Q101-N103 PolarHBondContact NE2-OD1 2.96Å; Q101-N103 PolarHBondContact O-N 3.49Å; Q101-R104 HydrophobicContact CB-CB 4.35Å; Q101-R104 WeakPolarHBondContact O-CB 3.24Å; Q101-R104 PolarHBondContact O-N 3.44Å; Q101-R104 VanDerWaalsContact O-N 3.15Å
102	P	87.8	Confident	91	Very high	131 Å²	131	82.5 Å²	82.5	85%	0.851	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-45.6	-171.9	-26.5	33.9	0	0	0	114.4	R104	P102-R104 VanDerWaalsContact C-N 3.25Å; P102-R104 PolarHBondContact O-N 3.2Å
103	N	92.1	Very high	91	Very high	62 Å²	62	83.7 Å²	83.7	33%	0.332	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	17.9	-178.7	63.3	-17.2	0	0	0	113.4	Q101 V105 E106 I107	Q101-N103 VanDerWaalsContact CG-OD1 3.24Å; Q101-N103 WeakPolarHBondContact CG-OD1 3.42Å; Q101-N103 PolarHBondContact NE2-OD1 2.96Å; Q101-N103 PolarHBondContact O-N 3.49Å; N103-V105 VanDerWaalsContact C-N 3.33Å; N103-V105 PolarHBondContact O-N 3.27Å; N103-E106 WeakPolarHBondContact CB-OE2 3.35Å; N103-E106 PolarHBondContact O-N 3.45Å; N103-I107 WeakPolarHBondContact O-CB 3.29Å; N103-I107 VanDerWaalsContact O-CG1 3.24Å; N103-I107 WeakPolarHBondContact O-CG1 3.16Å; N103-I107 PolarHBondContact O-N 3.13Å
104	R	90.8	Very high	91.1	Very high	50 Å²	50	85.8 Å²	85.8	19%	0.189	44%	0.436	C	S	.	.	H	α-helix	trans	-58.1	-43.5	-177.8	176	174.2	118.5	-164.9	-19.2	112.7	V96 N99 Q101 P102 Y108 F194	V96-R104 HydrophobicContact CG1-CB 4.27Å; V96-R104 HydrophobicContact CG1-CG 3.77Å; V96-R104 HydrophobicContact CG2-CG 4.14Å; N99-R104 VanDerWaalsContact CB-NH1 3.27Å; N99-R104 PolarHBondContact O-NH1 3Å; N99-R104 PolarHBondContact OD1-NH1 2.87Å; Q101-R104 HydrophobicContact CB-CB 4.35Å; Q101-R104 WeakPolarHBondContact O-CB 3.24Å; Q101-R104 PolarHBondContact O-N 3.44Å; Q101-R104 VanDerWaalsContact O-N 3.15Å; P102-R104 VanDerWaalsContact C-N 3.25Å; P102-R104 PolarHBondContact O-N 3.2Å; R104-Y108 HydrophobicContact CG-CD2 3.86Å; R104-Y108 HydrophobicContact CG-CE2 3.57Å; R104-Y108 WeakPolarHBondContact O-CD2 3.44Å; R104-Y108 PolarHBondContact O-N 3.26Å; R104-F194 VanDerWaalsContact CZ-CE2 3.46Å; R104-F194 VanDerWaalsContact NE-CZ 3.27Å
105	V	91.6	Very high	91.4	Very high	68 Å²	68	82 Å²	82	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-49.2	-178.7	-178.9	0	0	0	0	110	N103 I107 Y108 E109 F194 L195	N103-V105 VanDerWaalsContact C-N 3.33Å; N103-V105 PolarHBondContact O-N 3.27Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.3Å; V105-Y108 PolarHBondContact O-N 2.73Å; V105-Y108 VanDerWaalsContact O-N 3.09Å; V105-E109 HydrophobicContact CG1-CG 4.38Å; V105-E109 WeakPolarHBondContact O-CG 3.32Å; V105-E109 PolarHBondContact O-N 3.25Å; V105-F194 HydrophobicContact CG2-CE1 4.28Å; V105-L195 HydrophobicContact CG1-CD2 4.16Å
106	E	92.7	Very high	91.7	Very high	125 Å²	125	77.8 Å²	77.8	58%	0.584	39%	0.392	S	S	*	.	H	α-helix	trans	-56.8	-44.5	178	-62.3	169.3	175.1	0	0	112	N103 Y108 E109 K110	N103-E106 WeakPolarHBondContact CB-OE2 3.35Å; N103-E106 PolarHBondContact O-N 3.45Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 3.07Å; E106-E109 PolarHBondContact O-N 3.47Å; E106-K110 WeakPolarHBondContact O-CB 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.2Å; E106-K110 PolarHBondContact O-N 2.68Å
107	I	93.4	Very high	92	Very high	14 Å²	14	79.5 Å²	79.5	7%	0.072	40%	0.404	C	S	.	.	H	α-helix	trans	-58.8	-46.3	176.6	-71.1	169.5	0	0	0	110.4	I93 P94 V96 N103 V105 K110 T111	I93-I107 HydrophobicContact CG2-CG2 4.36Å; P94-I107 HydrophobicContact CB-CD1 4.39Å; P94-I107 HydrophobicContact CG-CD1 4.14Å; P94-I107 HydrophobicContact CG-CG1 4.07Å; P94-I107 HydrophobicContact CG-CG2 4.38Å; P94-I107 WeakPolarHBondContact O-CG2 3.46Å; V96-I107 HydrophobicContact CG2-CB 4.41Å; V96-I107 HydrophobicContact CG2-CD1 4.33Å; V96-I107 HydrophobicContact CG2-CG2 4.05Å; N103-I107 WeakPolarHBondContact O-CB 3.29Å; N103-I107 VanDerWaalsContact O-CG1 3.24Å; N103-I107 WeakPolarHBondContact O-CG1 3.16Å; N103-I107 PolarHBondContact O-N 3.13Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.3Å; I107-K110 PolarHBondContact O-N 2.94Å; I107-T111 VanDerWaalsContact O-CB 3.28Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 PolarHBondContact O-N 3.17Å; I107-T111 PolarHBondContact O-OG1 3.26Å
108	Y	93.6	Very high	92.4	Very high	37 Å²	37	72.6 Å²	72.6	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-69.9	-36	-179.7	-72.3	-44.2	0	0	0	112.9	V96 R104 V105 E106 T111 V112 A191 F194	V96-Y108 HydrophobicContact CG2-CE1 4.09Å; V96-Y108 HydrophobicContact CG2-CE2 4.12Å; R104-Y108 HydrophobicContact CG-CD2 3.86Å; R104-Y108 HydrophobicContact CG-CE2 3.57Å; R104-Y108 WeakPolarHBondContact O-CD2 3.44Å; R104-Y108 PolarHBondContact O-N 3.26Å; V105-Y108 PolarHBondContact O-N 2.73Å; V105-Y108 VanDerWaalsContact O-N 3.09Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 3.07Å; Y108-T111 WeakPolarHBondContact O-CB 3.02Å; Y108-T111 PolarHBondContact O-N 3.23Å; Y108-V112 WeakPolarHBondContact O-CG2 3.41Å; Y108-V112 PolarHBondContact O-N 3.02Å; Y108-A191 HydrophobicContact CD1-CB 3.5Å; Y108-A191 VanDerWaalsContact CD1-CB 3.5Å; Y108-A191 HydrophobicContact CE1-CB 4.33Å; Y108-A191 HydrophobicContact CG-CB 4.07Å; Y108-F194 HydrophobicContact CD2-CB 4.18Å; Y108-F194 AromaticContact CD2-CD1 3.23Å; Y108-F194 HydrophobicContact CD2-CD1 3.23Å; Y108-F194 AromaticContact CD2-CE1 3.8Å; Y108-F194 HydrophobicContact CD2-CE1 3.8Å; Y108-F194 AromaticContact CD2-CG 3.74Å; Y108-F194 HydrophobicContact CD2-CG 3.74Å; Y108-F194 HydrophobicContact CE2-CB 4.28Å; Y108-F194 AromaticContact CE2-CD1 3.78Å; Y108-F194 HydrophobicContact CE2-CD1 3.78Å; Y108-F194 HydrophobicContact CE2-CD2 4.42Å; Y108-F194 HydrophobicContact CE2-CE1 4.3Å; Y108-F194 AromaticContact CE2-CG 3.85Å; Y108-F194 HydrophobicContact CE2-CG 3.85Å; Y108-F194 HydrophobicContact CG-CD1 4.08Å
109	E	93.4	Very high	92.8	Very high	102 Å²	102	70 Å²	70	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-47.9	174.6	-74.3	177.7	166.2	0	0	110.6	V105 E106 V112 E113 L195	V105-E109 HydrophobicContact CG1-CG 4.38Å; V105-E109 WeakPolarHBondContact O-CG 3.32Å; V105-E109 PolarHBondContact O-N 3.25Å; E106-E109 PolarHBondContact O-N 3.47Å; E109-V112 PolarHBondContact O-N 3.46Å; E109-E113 WeakPolarHBondContact O-CB 3.27Å; E109-E113 PolarHBondContact O-N 3.3Å; E109-L195 HydrophobicContact CB-CD1 4.39Å; E109-L195 HydrophobicContact CG-CD1 3.84Å; E109-L195 HydrophobicContact CG-CD2 3.89Å
110	K	94.8	Very high	93.3	Very high	121 Å²	121	67.1 Å²	67.1	53%	0.526	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-34.2	176	-65.1	-54.4	-177.6	-177.3	0	113.2	E106 I107 V112 E113 V114	E106-K110 WeakPolarHBondContact O-CB 3.35Å; E106-K110 WeakPolarHBondContact O-CG 3.2Å; E106-K110 PolarHBondContact O-N 2.68Å; I107-K110 PolarHBondContact O-N 2.94Å; K110-V112 VanDerWaalsContact C-N 3.33Å; K110-V112 PolarHBondContact O-N 3.45Å; K110-E113 WeakPolarHBondContact CD-OE2 3.36Å; K110-E113 WeakPolarHBondContact CE-OE2 3.45Å; K110-E113 IonicContact NZ-OE1 3.48Å; K110-E113 PolarHBondContact NZ-OE1 2.93Å; K110-E113 IonicContact NZ-OE2 2.67Å; K110-E113 PolarHBondContact NZ-OE2 3.29Å; K110-E113 PolarHBondContact O-N 3.47Å; K110-V114 WeakPolarHBondContact O-CG2 3.37Å; K110-V114 PolarHBondContact O-N 2.92Å
111	T	94.7	Very high	93.8	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.043	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-45.1	173.7	-62.4	0	0	0	0	110.8	I93 I107 Y108 L115 A191	I93-T111 HydrophobicContact CD1-CG2 3.94Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.29Å; I107-T111 VanDerWaalsContact O-CB 3.28Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 PolarHBondContact O-N 3.17Å; I107-T111 PolarHBondContact O-OG1 3.26Å; Y108-T111 WeakPolarHBondContact O-CB 3.02Å; Y108-T111 PolarHBondContact O-N 3.23Å; T111-L115 HydrophobicContact CG2-CD1 3.81Å; T111-L115 VanDerWaalsContact O-CB 3.3Å; T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 PolarHBondContact O-N 3.42Å; T111-A191 HydrophobicContact CG2-CB 3.74Å
112	V	94.5	Very high	94.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-47.8	176.4	169	0	0	0	0	110.5	Y108 E109 K110 V114 L115 E116 Y188 A191 A192 L195 K197	Y108-V112 WeakPolarHBondContact O-CG2 3.41Å; Y108-V112 PolarHBondContact O-N 3.02Å; E109-V112 PolarHBondContact O-N 3.46Å; K110-V112 VanDerWaalsContact C-N 3.33Å; K110-V112 PolarHBondContact O-N 3.45Å; V112-V114 VanDerWaalsContact C-N 3.28Å; V112-V114 PolarHBondContact O-N 3.18Å; V112-L115 PolarHBondContact O-N 2.96Å; V112-E116 HydrophobicContact CG1-CB 4.48Å; V112-E116 WeakPolarHBondContact O-CB 3.5Å; V112-E116 PolarHBondContact O-N 3.3Å; V112-Y188 HydrophobicContact CB-CE2 4.46Å; V112-Y188 HydrophobicContact CG1-CE2 4.02Å; V112-Y188 HydrophobicContact CG2-CD2 4.39Å; V112-Y188 HydrophobicContact CG2-CE2 4.34Å; V112-A191 HydrophobicContact CG2-CB 3.75Å; V112-A192 HydrophobicContact CG2-CB 4.13Å; V112-L195 HydrophobicContact CG2-CD1 4.06Å; V112-K197 HydrophobicContact CG1-CD 3.82Å; V112-K197 VanDerWaalsContact CG1-NZ 3.33Å
113	E	95	Very high	94.4	Very high	114 Å²	114	55.8 Å²	55.8	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-54.1	-42.5	179.5	-174.2	-178.8	157.1	0	0	112.9	E109 K110	E109-E113 WeakPolarHBondContact O-CB 3.27Å; E109-E113 PolarHBondContact O-N 3.3Å; K110-E113 WeakPolarHBondContact CD-OE2 3.36Å; K110-E113 WeakPolarHBondContact CE-OE2 3.45Å; K110-E113 IonicContact NZ-OE1 3.48Å; K110-E113 PolarHBondContact NZ-OE1 2.93Å; K110-E113 IonicContact NZ-OE2 2.67Å; K110-E113 PolarHBondContact NZ-OE2 3.29Å; K110-E113 PolarHBondContact O-N 3.47Å
114	V	95.9	Very high	94.6	Very high	81 Å²	81	56.3 Å²	56.3	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-77	-43.2	-179.8	173.7	0	0	0	0	112.4	K110 V112	K110-V114 WeakPolarHBondContact O-CG2 3.37Å; K110-V114 PolarHBondContact O-N 2.92Å; V112-V114 VanDerWaalsContact C-N 3.28Å; V112-V114 PolarHBondContact O-N 3.18Å
115	L	96.5	Very high	94.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-89.9	-19.7	-170.8	-70.7	173.9	0	0	0	114.3	C89 I93 T111 V112 E118 V119 D184 A187 Y188	C89-L115 HydrophobicContact CB-CD2 3.62Å; I93-L115 HydrophobicContact CD1-CD1 3.91Å; I93-L115 HydrophobicContact CD1-CG 4.3Å; T111-L115 HydrophobicContact CG2-CD1 3.81Å; T111-L115 VanDerWaalsContact O-CB 3.3Å; T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 PolarHBondContact O-N 3.42Å; V112-L115 PolarHBondContact O-N 2.96Å; L115-E118 PolarHBondContact O-N 3.13Å; L115-V119 VanDerWaalsContact O-CG2 3.31Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 2.9Å; L115-D184 HydrophobicContact CD2-CB 3.99Å; L115-A187 HydrophobicContact CD1-CB 4.13Å; L115-Y188 HydrophobicContact CB-CD2 4.03Å; L115-Y188 HydrophobicContact CB-CG 4.38Å
116	E	94.3	Very high	95.1	Very high	75 Å²	75	51.4 Å²	51.4	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-56.6	-49.3	-178.6	-175.4	165.5	-163.8	0	0	112.3	V112 E118 V119 T120 Y188 K197	V112-E116 HydrophobicContact CG1-CB 4.48Å; V112-E116 WeakPolarHBondContact O-CB 3.5Å; V112-E116 PolarHBondContact O-N 3.3Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.93Å; E116-V119 PolarHBondContact O-N 3.49Å; E116-T120 PolarHBondContact O-N 2.92Å; E116-T120 VanDerWaalsContact O-N 3.09Å; E116-T120 PolarHBondContact O-OG1 2.75Å; E116-Y188 HydrophobicContact CB-CE2 3.77Å; E116-Y188 HydrophobicContact CG-CE2 4.22Å; E116-K197 IonicContact OE2-NZ 2.85Å; E116-K197 PolarHBondContact OE2-NZ 2.75Å
117	P	96	Very high	95.3	Very high	69 Å²	69	49.6 Å²	49.6	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-34.5	177.1	-21.1	34	0	0	0	113.3	T120 K121	P117-T120 WeakPolarHBondContact O-CB 3.44Å; P117-T120 PolarHBondContact O-N 3.46Å; P117-K121 PolarHBondContact O-N 2.88Å
118	E	96	Very high	95.5	Very high	50 Å²	50	49.4 Å²	49.4	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-41.7	178.5	-60.2	-52.8	134.5	0	0	110.8	W86 L115 E116 T120 K121 L122	W86-E118 HydrophobicContact CH2-CB 3.68Å; W86-E118 WeakPolarHBondContact CH2-O 3.47Å; W86-E118 HydrophobicContact CZ2-CB 3.83Å; L115-E118 PolarHBondContact O-N 3.13Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.93Å; E118-T120 VanDerWaalsContact C-N 3.27Å; E118-T120 PolarHBondContact O-N 3.25Å; E118-K121 WeakPolarHBondContact O-CB 3.48Å; E118-K121 PolarHBondContact O-N 3.13Å; E118-K121 IonicContact OE1-NZ 2.75Å; E118-K121 PolarHBondContact OE1-NZ 3.17Å; E118-K121 WeakPolarHBondContact OE2-CD 3.48Å; E118-K121 WeakPolarHBondContact OE2-CE 3.42Å; E118-K121 IonicContact OE2-NZ 2.74Å; E118-K121 PolarHBondContact OE2-NZ 2.98Å; E118-L122 PolarHBondContact O-N 3.24Å
119	V	95.1	Very high	95.6	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-34.5	174.9	171.6	0	0	0	0	111.5	L115 E116 K121 L122 M123 Y188 L210	L115-V119 VanDerWaalsContact O-CG2 3.31Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 2.9Å; E116-V119 PolarHBondContact O-N 3.49Å; V119-K121 VanDerWaalsContact C-N 3.29Å; V119-K121 PolarHBondContact O-N 3.47Å; V119-L122 WeakPolarHBondContact O-CB 3.26Å; V119-L122 PolarHBondContact O-N 2.91Å; V119-L122 VanDerWaalsContact O-N 3.13Å; V119-M123 WeakPolarHBondContact O-CG 3.33Å; V119-M123 PolarHBondContact O-N 3.26Å; V119-Y188 HydrophobicContact CB-CD1 4.29Å; V119-Y188 HydrophobicContact CB-CE1 4.42Å; V119-Y188 HydrophobicContact CG1-CD1 4.09Å; V119-Y188 HydrophobicContact CG1-CE1 4.03Å; V119-Y188 HydrophobicContact CG2-CD1 3.74Å; V119-Y188 HydrophobicContact CG2-CD2 4.35Å; V119-Y188 HydrophobicContact CG2-CE1 4.35Å; V119-Y188 HydrophobicContact CG2-CG 3.73Å; V119-L210 HydrophobicContact CG1-CD2 4.08Å
120	T	94.9	Very high	95.6	Very high	74 Å²	74	51 Å²	51	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-40.5	171.8	-55.3	0	0	0	0	111.9	E116 P117 E118 L122 M123 N124	E116-T120 PolarHBondContact O-N 2.92Å; E116-T120 VanDerWaalsContact O-N 3.09Å; E116-T120 PolarHBondContact O-OG1 2.75Å; P117-T120 WeakPolarHBondContact O-CB 3.44Å; P117-T120 PolarHBondContact O-N 3.46Å; E118-T120 VanDerWaalsContact C-N 3.27Å; E118-T120 PolarHBondContact O-N 3.25Å; T120-L122 VanDerWaalsContact C-N 3.31Å; T120-L122 PolarHBondContact O-N 3.2Å; T120-M123 WeakPolarHBondContact O-CB 3.48Å; T120-M123 PolarHBondContact O-N 2.79Å; T120-N124 VanDerWaalsContact O-CG 3.32Å; T120-N124 PolarHBondContact O-N 2.74Å
121	K	96.8	Very high	95.7	Very high	88 Å²	88	48.4 Å²	48.4	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-38.6	175.5	-57.6	174.9	-169.4	161.8	0	111.8	M82 P117 E118 V119 N124 F125	M82-K121 HydrophobicContact SD-CB 3.64Å; M82-K121 HydrophobicContact SD-CD 4.45Å; P117-K121 PolarHBondContact O-N 2.88Å; E118-K121 WeakPolarHBondContact O-CB 3.48Å; E118-K121 PolarHBondContact O-N 3.13Å; E118-K121 IonicContact OE1-NZ 2.75Å; E118-K121 PolarHBondContact OE1-NZ 3.17Å; E118-K121 WeakPolarHBondContact OE2-CD 3.48Å; E118-K121 WeakPolarHBondContact OE2-CE 3.42Å; E118-K121 IonicContact OE2-NZ 2.74Å; E118-K121 PolarHBondContact OE2-NZ 2.98Å; V119-K121 VanDerWaalsContact C-N 3.29Å; V119-K121 PolarHBondContact O-N 3.47Å; K121-N124 PolarHBondContact O-N 2.89Å; K121-F125 WeakPolarHBondContact O-CB 3.21Å; K121-F125 PolarHBondContact O-N 2.89Å
122	L	95.7	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-36.1	175.8	-60.9	178.1	0	0	0	112.9	M82 W86 E118 V119 T120 F125 M126 V181 H185 L210 L214	M82-L122 HydrophobicContact CE-CD2 4.18Å; W86-L122 HydrophobicContact CE3-CD2 4.16Å; W86-L122 HydrophobicContact CH2-CD1 3.8Å; W86-L122 HydrophobicContact CH2-CD2 3.64Å; W86-L122 HydrophobicContact CH2-CG 3.51Å; W86-L122 HydrophobicContact CZ2-CD1 4.08Å; W86-L122 HydrophobicContact CZ2-CD2 4.4Å; W86-L122 HydrophobicContact CZ2-CG 4.29Å; W86-L122 HydrophobicContact CZ3-CD2 3.5Å; W86-L122 VanDerWaalsContact CZ3-CD2 3.5Å; W86-L122 HydrophobicContact CZ3-CG 3.87Å; E118-L122 PolarHBondContact O-N 3.24Å; V119-L122 WeakPolarHBondContact O-CB 3.26Å; V119-L122 PolarHBondContact O-N 2.91Å; V119-L122 VanDerWaalsContact O-N 3.13Å; T120-L122 VanDerWaalsContact C-N 3.31Å; T120-L122 PolarHBondContact O-N 3.2Å; L122-F125 PolarHBondContact O-N 3.4Å; L122-M126 WeakPolarHBondContact O-CB 3.36Å; L122-M126 PolarHBondContact O-N 3.17Å; L122-V181 HydrophobicContact CD1-CG1 3.71Å; L122-V181 HydrophobicContact CD2-CG1 3.42Å; L122-V181 VanDerWaalsContact CD2-CG1 3.42Å; L122-V181 HydrophobicContact CD2-CG2 4.44Å; L122-V181 HydrophobicContact CG-CG1 4.21Å; L122-H185 HydrophobicContact CD1-CB 4.24Å; L122-L210 HydrophobicContact CB-CD1 4.18Å; L122-L210 HydrophobicContact CB-CD2 4.08Å; L122-L214 HydrophobicContact CD1-CD1 4.33Å
123	M	93.8	Very high	95.9	Very high	23 Å²	23	48.1 Å²	48.1	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-48.7	171.6	-71.5	-64.2	-167	0	0	110.7	V119 T120 F125 M126 Y127 E206 L210	V119-M123 WeakPolarHBondContact O-CG 3.33Å; V119-M123 PolarHBondContact O-N 3.26Å; T120-M123 WeakPolarHBondContact O-CB 3.48Å; T120-M123 PolarHBondContact O-N 2.79Å; M123-F125 VanDerWaalsContact C-N 3.31Å; M123-F125 PolarHBondContact O-N 3Å; M123-M126 WeakPolarHBondContact O-CB 3.46Å; M123-M126 PolarHBondContact O-N 2.9Å; M123-M126 VanDerWaalsContact O-N 3.12Å; M123-M126 HydrophobicContact SD-CE 3.94Å; M123-Y127 HydrophobicContact CB-CE2 4.32Å; M123-Y127 VanDerWaalsContact O-CD2 3.23Å; M123-Y127 WeakPolarHBondContact O-CD2 3.42Å; M123-Y127 PolarHBondContact O-N 3.03Å; M123-E206 HydrophobicContact CE-CB 3.94Å; M123-E206 HydrophobicContact SD-CB 4.49Å; M123-L210 HydrophobicContact CE-CB 3.93Å; M123-L210 HydrophobicContact CE-CD2 3.78Å; M123-L210 HydrophobicContact CE-CG 4.49Å; M123-L210 HydrophobicContact CG-CD2 4.08Å; M123-L210 HydrophobicContact SD-CB 3.78Å; M123-L210 HydrophobicContact SD-CD2 3.67Å; M123-L210 HydrophobicContact SD-CG 4.19Å
124	N	96.6	Very high	95.9	Very high	74 Å²	74	46.1 Å²	46.1	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-40.7	178	-66.4	-13.8	0	0	0	111.4	Y79 T120 K121 M126 Y127 F128	Y79-N124 HydrophobicContact CE1-CB 4.32Å; Y79-N124 WeakPolarHBondContact OH-CB 3.25Å; T120-N124 VanDerWaalsContact O-CG 3.32Å; T120-N124 PolarHBondContact O-N 2.74Å; K121-N124 PolarHBondContact O-N 2.89Å; N124-M126 PolarHBondContact O-N 2.92Å; N124-Y127 PolarHBondContact O-N 3.41Å; N124-F128 VanDerWaalsContact O-CB 3.29Å; N124-F128 WeakPolarHBondContact O-CB 3.37Å; N124-F128 PolarHBondContact O-N 3.11Å
125	F	97.8	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-45.2	172.8	171.7	-123.3	0	0	0	112.7	Y79 M82 L83 K121 L122 M123 Y127 F128 Q129 L171 K175 F213 I220	Y79-F125 HydrophobicContact CD1-CB 3.65Å; Y79-F125 AromaticContact CD1-CD2 3.97Å; Y79-F125 HydrophobicContact CD1-CD2 3.97Å; Y79-F125 HydrophobicContact CD1-CG 4.21Å; Y79-F125 HydrophobicContact CE1-CB 3.8Å; Y79-F125 HydrophobicContact CG-CB 4.42Å; Y79-F125 AromaticContact CG-CD2 3.91Å; Y79-F125 HydrophobicContact CG-CD2 3.91Å; M82-F125 HydrophobicContact CE-CB 4.06Å; M82-F125 HydrophobicContact CE-CG 4.29Å; L83-F125 HydrophobicContact CD1-CE1 4.03Å; L83-F125 HydrophobicContact CD1-CE2 4.09Å; L83-F125 HydrophobicContact CD1-CZ 3.7Å; L83-F125 HydrophobicContact CD2-CD1 4.44Å; L83-F125 HydrophobicContact CD2-CE1 4.23Å; K121-F125 WeakPolarHBondContact O-CB 3.21Å; K121-F125 PolarHBondContact O-N 2.89Å; L122-F125 PolarHBondContact O-N 3.4Å; M123-F125 VanDerWaalsContact C-N 3.31Å; M123-F125 PolarHBondContact O-N 3Å; F125-Y127 VanDerWaalsContact C-N 3.29Å; F125-Y127 PolarHBondContact O-N 2.96Å; F125-F128 PolarHBondContact O-N 2.84Å; F125-Q129 HydrophobicContact CE2-CB 4.48Å; F125-Q129 WeakPolarHBondContact O-CG 3.44Å; F125-Q129 PolarHBondContact O-N 3.28Å; F125-L171 HydrophobicContact CE2-CB 4.27Å; F125-L171 HydrophobicContact CE2-CD1 4.26Å; F125-L171 HydrophobicContact CE2-CD2 3.96Å; F125-L171 HydrophobicContact CE2-CG 4.39Å; F125-L171 HydrophobicContact CZ-CB 4.39Å; F125-K175 HydrophobicContact CE1-CD 4.39Å; F125-F213 AromaticContact CD1-CE1 3.79Å; F125-F213 HydrophobicContact CD1-CE1 3.79Å; F125-F213 HydrophobicContact CD1-CZ 4.21Å; F125-F213 AromaticContact CE1-CE1 3.55Å; F125-F213 HydrophobicContact CE1-CE1 3.55Å; F125-F213 AromaticContact CE1-CZ 3.64Å; F125-F213 HydrophobicContact CE1-CZ 3.64Å; F125-F213 HydrophobicContact CZ-CE1 4.47Å; F125-F213 HydrophobicContact CZ-CZ 4.14Å; F125-I220 HydrophobicContact CZ-CD1 3.87Å
126	M	96.3	Very high	95.8	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-39.6	176.6	-179	-172.6	64.8	0	0	111.5	L122 M123 N124 Q129 N209 L210 F213	L122-M126 WeakPolarHBondContact O-CB 3.36Å; L122-M126 PolarHBondContact O-N 3.17Å; M123-M126 WeakPolarHBondContact O-CB 3.46Å; M123-M126 PolarHBondContact O-N 2.9Å; M123-M126 VanDerWaalsContact O-N 3.12Å; M123-M126 HydrophobicContact SD-CE 3.94Å; N124-M126 PolarHBondContact O-N 2.92Å; M126-Q129 WeakPolarHBondContact O-CG 3.44Å; M126-Q129 PolarHBondContact O-NE2 3.36Å; M126-N209 HydrophobicContact CE-CB 4.3Å; M126-N209 HydrophobicContact SD-CB 4.14Å; M126-L210 HydrophobicContact CB-CD1 4.21Å; M126-L210 HydrophobicContact SD-CB 4.16Å; M126-L210 HydrophobicContact SD-CD1 4.24Å; M126-F213 HydrophobicContact CB-CD1 4.09Å; M126-F213 HydrophobicContact CB-CE1 4.29Å; M126-F213 HydrophobicContact CG-CB 4.23Å; M126-F213 HydrophobicContact CG-CD1 4.07Å; M126-F213 HydrophobicContact CG-CG 4.02Å; M126-F213 HydrophobicContact SD-CB 4.09Å
127	Y	95.6	Very high	95.8	Very high	86 Å²	86	43.7 Å²	43.7	34%	0.337	21%	0.213	S	C	.	.	H	α-helix	trans	-71.4	-43.5	176.2	-65.7	-41.7	0	0	0	112.6	M123 N124 F125 R130 S131 E206	M123-Y127 HydrophobicContact CB-CE2 4.32Å; M123-Y127 VanDerWaalsContact O-CD2 3.23Å; M123-Y127 WeakPolarHBondContact O-CD2 3.42Å; M123-Y127 PolarHBondContact O-N 3.03Å; N124-Y127 PolarHBondContact O-N 3.41Å; F125-Y127 VanDerWaalsContact C-N 3.29Å; F125-Y127 PolarHBondContact O-N 2.96Å; Y127-R130 PolarHBondContact O-N 3.43Å; Y127-S131 WeakPolarHBondContact O-CB 3.26Å; Y127-S131 PolarHBondContact O-N 3.43Å; Y127-E206 WeakPolarHBondContact OH-CG 3.3Å; Y127-E206 PolarHBondContact OH-OE1 3.02Å
128	F	97.6	Very high	95.7	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-56.2	-56.3	177.7	168.7	-97.4	0	0	0	111.1	M72 E75 Y79 N124 F125 R130 S131 A132 M167 L171	M72-F128 HydrophobicContact CG-CE2 3.79Å; M72-F128 HydrophobicContact CG-CZ 4.13Å; M72-F128 WeakPolarHBondContact O-CZ 3.5Å; E75-F128 HydrophobicContact CB-CE2 3.9Å; E75-F128 VanDerWaalsContact CD-CD2 3.43Å; E75-F128 HydrophobicContact CG-CD2 3.93Å; E75-F128 HydrophobicContact CG-CE2 3.81Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.4Å; Y79-F128 HydrophobicContact CD2-CB 4.08Å; Y79-F128 AromaticContact CD2-CD1 3.59Å; Y79-F128 HydrophobicContact CD2-CD1 3.59Å; Y79-F128 HydrophobicContact CD2-CD2 4.15Å; Y79-F128 HydrophobicContact CD2-CE1 4.07Å; Y79-F128 AromaticContact CD2-CG 3.64Å; Y79-F128 HydrophobicContact CD2-CG 3.64Å; Y79-F128 HydrophobicContact CE2-CB 3.52Å; Y79-F128 AromaticContact CE2-CD1 3.9Å; Y79-F128 HydrophobicContact CE2-CD1 3.9Å; Y79-F128 AromaticContact CE2-CD2 3.78Å; Y79-F128 HydrophobicContact CE2-CD2 3.78Å; Y79-F128 AromaticContact CE2-CG 3.43Å; Y79-F128 HydrophobicContact CE2-CG 3.43Å; Y79-F128 VanDerWaalsContact CE2-CG 3.43Å; Y79-F128 HydrophobicContact CG-CD1 4.44Å; N124-F128 VanDerWaalsContact O-CB 3.29Å; N124-F128 WeakPolarHBondContact O-CB 3.37Å; N124-F128 PolarHBondContact O-N 3.11Å; F125-F128 PolarHBondContact O-N 2.84Å; F128-R130 PolarHBondContact O-N 3.41Å; F128-R130 VanDerWaalsContact O-N 3.16Å; F128-S131 PolarHBondContact O-N 3.24Å; F128-S131 VanDerWaalsContact O-N 3.12Å; F128-A132 HydrophobicContact CE1-CB 4.35Å; F128-A132 HydrophobicContact CZ-CB 4.23Å; F128-A132 WeakPolarHBondContact O-CB 3.43Å; F128-A132 PolarHBondContact O-N 3.36Å; F128-M167 HydrophobicContact CE1-CE 4.38Å; F128-M167 HydrophobicContact CE1-SD 4.45Å; F128-M167 HydrophobicContact CZ-CE 4.21Å; F128-M167 HydrophobicContact CZ-SD 4.15Å; F128-L171 HydrophobicContact CE1-CD1 3.91Å
129	Q	96.1	Very high	95.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.065	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-34.4	-176.7	66.1	74.7	29.4	0	0	111.9	F125 M126 A132 I133 F213 I220	F125-Q129 HydrophobicContact CE2-CB 4.48Å; F125-Q129 WeakPolarHBondContact O-CG 3.44Å; F125-Q129 PolarHBondContact O-N 3.28Å; M126-Q129 WeakPolarHBondContact O-CG 3.44Å; M126-Q129 PolarHBondContact O-NE2 3.36Å; Q129-A132 PolarHBondContact O-N 2.64Å; Q129-I133 VanDerWaalsContact O-CG1 3.24Å; Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 3.13Å; Q129-F213 HydrophobicContact CG-CE2 4Å; Q129-F213 HydrophobicContact CG-CZ 3.9Å; Q129-I220 HydrophobicContact CB-CD1 4.33Å; Q129-I220 HydrophobicContact CB-CG1 4.38Å; Q129-I220 HydrophobicContact CG-CD1 4.47Å; Q129-I220 HydrophobicContact CG-CG1 4.28Å
130	R	94.5	Very high	95.5	Very high	158 Å²	158	39.9 Å²	39.9	60%	0.596	20%	0.196	S	C	*	.	H	α-helix	trans	-67.3	-49.4	177.8	-175.7	178.2	179.5	174.7	0.4	110.8	Y127 F128 A132 I133 D134	Y127-R130 PolarHBondContact O-N 3.43Å; F128-R130 PolarHBondContact O-N 3.41Å; F128-R130 VanDerWaalsContact O-N 3.16Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 3.35Å; R130-I133 PolarHBondContact O-N 2.99Å; R130-D134 WeakPolarHBondContact O-CB 3.48Å; R130-D134 VanDerWaalsContact O-CG 3.24Å; R130-D134 PolarHBondContact O-N 3.29Å
131	S	96	Very high	95.4	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-41.8	176	-175.3	0	0	0	0	111.6	Y127 F128 D134 R135	Y127-S131 WeakPolarHBondContact O-CB 3.26Å; Y127-S131 PolarHBondContact O-N 3.43Å; F128-S131 PolarHBondContact O-N 3.24Å; F128-S131 VanDerWaalsContact O-N 3.12Å; S131-D134 PolarHBondContact O-N 2.87Å; S131-R135 WeakPolarHBondContact O-CB 3.37Å; S131-R135 PolarHBondContact O-N 2.81Å
132	A	95.9	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-43.8	179.1	0	0	0	0	0	112.3	M72 F128 Q129 R130 R135 F136 M167 F168	M72-A132 HydrophobicContact CG-CB 4.44Å; M72-A132 HydrophobicContact SD-CB 3.84Å; F128-A132 HydrophobicContact CE1-CB 4.35Å; F128-A132 HydrophobicContact CZ-CB 4.23Å; F128-A132 WeakPolarHBondContact O-CB 3.43Å; F128-A132 PolarHBondContact O-N 3.36Å; Q129-A132 PolarHBondContact O-N 2.64Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 3.35Å; A132-R135 PolarHBondContact O-N 2.93Å; A132-F136 VanDerWaalsContact O-CB 3.25Å; A132-F136 WeakPolarHBondContact O-CB 3.43Å; A132-F136 PolarHBondContact O-N 3.2Å; A132-M167 HydrophobicContact CB-CE 4.18Å; A132-F168 HydrophobicContact CB-CE1 3.87Å; A132-F168 HydrophobicContact CB-CZ 4.19Å
133	I	96.9	Very high	94.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-49.6	173.6	-68.3	169.1	0	0	0	110.1	Q129 R130 R135 F136 C137 F168 I220 L224 Q227	Q129-I133 VanDerWaalsContact O-CG1 3.24Å; Q129-I133 WeakPolarHBondContact O-CG1 3.18Å; Q129-I133 PolarHBondContact O-N 3.13Å; R130-I133 PolarHBondContact O-N 2.99Å; I133-R135 VanDerWaalsContact C-N 3.28Å; I133-R135 PolarHBondContact O-N 3.41Å; I133-F136 PolarHBondContact O-N 3.05Å; I133-C137 VanDerWaalsContact O-CB 3.29Å; I133-C137 WeakPolarHBondContact O-CB 3.25Å; I133-C137 PolarHBondContact O-N 3.02Å; I133-C137 PolarHBondContact O-SG 3.37Å; I133-C137 VanDerWaalsContact O-SG 3.36Å; I133-F168 HydrophobicContact CG1-CD1 4.1Å; I133-F168 HydrophobicContact CG1-CE1 3.64Å; I133-F168 HydrophobicContact CG1-CZ 4.01Å; I133-I220 HydrophobicContact CD1-CG2 4.07Å; I133-L224 HydrophobicContact CG2-CD1 4.21Å; I133-Q227 HydrophobicContact CG2-CG 4.41Å
134	D	95.2	Very high	94.5	Very high	73 Å²	73	43.4 Å²	43.4	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-41.1	-178.9	-70.9	-15.7	0	0	0	111	R130 S131 G138 Q227	R130-D134 WeakPolarHBondContact O-CB 3.48Å; R130-D134 VanDerWaalsContact O-CG 3.24Å; R130-D134 PolarHBondContact O-N 3.29Å; S131-D134 PolarHBondContact O-N 2.87Å; D134-G138 PolarHBondContact O-N 2.77Å; D134-Q227 PolarHBondContact OD1-NE2 3.02Å; D134-Q227 PolarHBondContact OD1-OE1 2.86Å
135	R	94.4	Very high	94.2	Very high	105 Å²	105	45.1 Å²	45.1	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-66.4	-48.6	177.4	-175.2	62.4	176.5	-137.4	3.6	111.9	M69 M72 S131 A132 I133 G138 E139	M69-R135 HydrophobicContact SD-CG 3.94Å; M72-R135 HydrophobicContact CE-CB 4.38Å; M72-R135 HydrophobicContact CE-CG 4.25Å; M72-R135 HydrophobicContact SD-CB 4.33Å; M72-R135 HydrophobicContact SD-CG 4.36Å; S131-R135 WeakPolarHBondContact O-CB 3.37Å; S131-R135 PolarHBondContact O-N 2.81Å; A132-R135 PolarHBondContact O-N 2.93Å; I133-R135 VanDerWaalsContact C-N 3.28Å; I133-R135 PolarHBondContact O-N 3.41Å; R135-G138 PolarHBondContact O-N 3.2Å; R135-E139 PolarHBondContact O-N 2.92Å
136	F	95.6	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-50.8	178.1	175.9	-98.3	0	0	0	111.3	A132 I133 G138 E139 V140 L161 F164 I165 F168 L224 L228	A132-F136 VanDerWaalsContact O-CB 3.25Å; A132-F136 WeakPolarHBondContact O-CB 3.43Å; A132-F136 PolarHBondContact O-N 3.2Å; I133-F136 PolarHBondContact O-N 3.05Å; F136-G138 VanDerWaalsContact C-N 3.27Å; F136-G138 PolarHBondContact O-N 2.98Å; F136-E139 PolarHBondContact O-N 3.31Å; F136-E139 VanDerWaalsContact O-N 3.11Å; F136-V140 HydrophobicContact CD1-CG2 4.15Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.43Å; F136-V140 HydrophobicContact CZ-CG2 3.92Å; F136-V140 WeakPolarHBondContact O-CG2 3.36Å; F136-V140 PolarHBondContact O-N 2.89Å; F136-L161 HydrophobicContact CD2-CD2 4Å; F136-L161 HydrophobicContact CE2-CB 4.1Å; F136-L161 HydrophobicContact CE2-CD2 3.87Å; F136-F164 HydrophobicContact CB-CD1 4.29Å; F136-F164 HydrophobicContact CD2-CB 3.63Å; F136-F164 HydrophobicContact CD2-CD1 4.15Å; F136-F164 AromaticContact CD2-CG 4Å; F136-F164 HydrophobicContact CD2-CG 4Å; F136-F164 HydrophobicContact CE2-CB 3.83Å; F136-I165 HydrophobicContact CE1-CG1 4.37Å; F136-I165 HydrophobicContact CE2-CG1 4.18Å; F136-I165 HydrophobicContact CZ-CD1 4.07Å; F136-I165 HydrophobicContact CZ-CG1 3.63Å; F136-F168 HydrophobicContact CB-CE2 4.03Å; F136-F168 HydrophobicContact CB-CZ 4.06Å; F136-F168 HydrophobicContact CD1-CE2 4.04Å; F136-F168 HydrophobicContact CD2-CE2 4.42Å; F136-F168 AromaticContact CG-CE2 3.91Å; F136-F168 HydrophobicContact CG-CE2 3.91Å; F136-F168 HydrophobicContact CG-CZ 4.44Å; F136-L224 HydrophobicContact CD1-CD1 3.82Å; F136-L224 HydrophobicContact CE1-CD1 4.08Å; F136-L228 HydrophobicContact CE1-CD1 4.5Å; F136-L228 HydrophobicContact CE1-CD2 4.16Å
137	C	95.3	Very high	92.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-34.1	177	-70.2	0	0	0	0	112.2	I133 V140 R141 Q227 I231	I133-C137 VanDerWaalsContact O-CB 3.29Å; I133-C137 WeakPolarHBondContact O-CB 3.25Å; I133-C137 PolarHBondContact O-N 3.02Å; I133-C137 PolarHBondContact O-SG 3.37Å; I133-C137 VanDerWaalsContact O-SG 3.36Å; C137-V140 PolarHBondContact O-N 3.42Å; C137-R141 WeakPolarHBondContact O-CB 3.25Å; C137-R141 PolarHBondContact O-N 3.01Å; C137-Q227 HydrophobicContact CB-CB 4.28Å; C137-I231 HydrophobicContact CB-CD1 4.25Å; C137-I231 VanDerWaalsContact O-CD1 3.32Å; C137-I231 WeakPolarHBondContact O-CD1 3.37Å
138	G	93.9	Very high	91.5	Very high	28 Å²	28	56.1 Å²	56.1	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-44.9	171.4	0	0	0	0	0	112.6	D134 R135 F136 R141 R142	D134-G138 PolarHBondContact O-N 2.77Å; R135-G138 PolarHBondContact O-N 3.2Å; F136-G138 VanDerWaalsContact C-N 3.27Å; F136-G138 PolarHBondContact O-N 2.98Å; G138-R141 PolarHBondContact O-N 2.79Å; G138-R142 PolarHBondContact O-N 3.23Å
139	E	92.6	Very high	90.5	Very high	18 Å²	18	60.1 Å²	60.1	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-41.6	175	-76	-58.7	128.6	0	0	112.4	M69 R135 F136 R141 R142 L143 Y157	M69-E139 HydrophobicContact CE-CG 4.49Å; M69-E139 HydrophobicContact SD-CG 4.47Å; R135-E139 PolarHBondContact O-N 2.92Å; F136-E139 PolarHBondContact O-N 3.31Å; F136-E139 VanDerWaalsContact O-N 3.11Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.46Å; E139-R142 WeakPolarHBondContact O-CB 3.43Å; E139-R142 PolarHBondContact O-N 2.73Å; E139-R142 IonicContact OE1-NE 2.96Å; E139-R142 PolarHBondContact OE1-NE 3.27Å; E139-R142 IonicContact OE2-CZ 3.71Å; E139-R142 VanDerWaalsContact OE2-CZ 3.26Å; E139-R142 IonicContact OE2-NE 3.47Å; E139-R142 PolarHBondContact OE2-NE 2.66Å; E139-R142 IonicContact OE2-NH2 3.61Å; E139-R142 PolarHBondContact OE2-NH2 2.64Å; E139-L143 WeakPolarHBondContact O-CG 3.46Å; E139-L143 PolarHBondContact O-N 3.22Å; E139-Y157 PolarHBondContact OE2-OH 2.91Å
140	V	93.9	Very high	89.7	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-46.9	173.4	174	0	0	0	0	110.2	F136 C137 R142 L143 C144 L228 I231 L237	F136-V140 HydrophobicContact CD1-CG2 4.15Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.43Å; F136-V140 HydrophobicContact CZ-CG2 3.92Å; F136-V140 WeakPolarHBondContact O-CG2 3.36Å; F136-V140 PolarHBondContact O-N 2.89Å; C137-V140 PolarHBondContact O-N 3.42Å; V140-R142 VanDerWaalsContact C-N 3.31Å; V140-R142 PolarHBondContact O-N 3.28Å; V140-L143 PolarHBondContact O-N 3.02Å; V140-C144 VanDerWaalsContact O-CB 3.25Å; V140-C144 WeakPolarHBondContact O-CB 3.21Å; V140-C144 PolarHBondContact O-N 3.26Å; V140-C144 PolarHBondContact O-SG 3.29Å; V140-L228 HydrophobicContact CB-CD2 4.26Å; V140-L228 HydrophobicContact CG1-CD2 3.97Å; V140-L228 HydrophobicContact CG2-CD2 4.08Å; V140-I231 HydrophobicContact CB-CD1 4.32Å; V140-I231 HydrophobicContact CG1-CD1 4.16Å; V140-I231 HydrophobicContact CG1-CG2 4.44Å; V140-L237 HydrophobicContact CB-CD2 4.18Å; V140-L237 HydrophobicContact CG1-CD2 4.08Å; V140-L237 HydrophobicContact CG2-CD2 3.99Å
141	R	93.1	Very high	88.9	Confident	138 Å²	138	58.7 Å²	58.7	52%	0.521	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-41.2	176.9	-171.5	180	-62.9	140.6	4.8	112	C137 G138 E139 H145 I231	C137-R141 WeakPolarHBondContact O-CB 3.25Å; C137-R141 PolarHBondContact O-N 3.01Å; G138-R141 PolarHBondContact O-N 2.79Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.46Å; R141-H145 PolarHBondContact O-N 3.32Å; R141-I231 HydrophobicContact CB-CD1 3.96Å; R141-I231 HydrophobicContact CB-CG1 4.24Å; R141-I231 HydrophobicContact CB-CG2 4.32Å
142	R	89.8	Confident	88.3	Confident	97 Å²	97	56.7 Å²	56.7	37%	0.366	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-44.1	178.3	-170.6	-177.7	69.7	83.1	2.4	111.8	G138 E139 V140	G138-R142 PolarHBondContact O-N 3.23Å; E139-R142 WeakPolarHBondContact O-CB 3.43Å; E139-R142 PolarHBondContact O-N 2.73Å; E139-R142 IonicContact OE1-NE 2.96Å; E139-R142 PolarHBondContact OE1-NE 3.27Å; E139-R142 IonicContact OE2-CZ 3.71Å; E139-R142 VanDerWaalsContact OE2-CZ 3.26Å; E139-R142 IonicContact OE2-NE 3.47Å; E139-R142 PolarHBondContact OE2-NE 2.66Å; E139-R142 IonicContact OE2-NH2 3.61Å; E139-R142 PolarHBondContact OE2-NH2 2.64Å; V140-R142 VanDerWaalsContact C-N 3.31Å; V140-R142 PolarHBondContact O-N 3.28Å
143	L	89.1	Confident	87.8	Confident	19 Å²	19	58.2 Å²	58.2	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-77.7	-29.2	-178.1	-65	175.1	0	0	0	113.1	E139 V140 H145 R148 R149 V153 Y157 L161 L237	E139-L143 WeakPolarHBondContact O-CG 3.46Å; E139-L143 PolarHBondContact O-N 3.22Å; V140-L143 PolarHBondContact O-N 3.02Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-R148 CarbonylContact O-C 3.46Å; L143-R149 PolarHBondContact O-N 3.47Å; L143-V153 HydrophobicContact CD2-CG2 4.07Å; L143-Y157 HydrophobicContact CD1-CE1 3.98Å; L143-L161 HydrophobicContact CD1-CD1 3.87Å; L143-L237 HydrophobicContact CB-CD1 4.49Å; L143-L237 HydrophobicContact CB-CD2 4.03Å; L143-L237 HydrophobicContact CD1-CD1 4.2Å; L143-L237 HydrophobicContact CD1-CD2 3.92Å
144	C	89.3	Confident	87.4	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-82.2	-6.5	179.8	-70.8	0	0	0	0	114.6	V140 R149 I231 G233	V140-C144 VanDerWaalsContact O-CB 3.25Å; V140-C144 WeakPolarHBondContact O-CB 3.21Å; V140-C144 PolarHBondContact O-N 3.26Å; V140-C144 PolarHBondContact O-SG 3.29Å; C144-R149 PolarHBondContact O-NE 3.31Å; C144-R149 PolarHBondContact O-NH2 3.18Å; C144-I231 HydrophobicContact CB-CG2 4.18Å; C144-G233 PolarHBondContact SG-O 3.39Å
145	H	88.9	Confident	87.2	Confident	110 Å²	110	57 Å²	57	51%	0.509	26%	0.26	S	S	.	.	S	Bend	trans	-54.3	141.4	177	-176.5	-89.9	0	0	0	111.5	R141 L143 E147 R148 R149	R141-H145 PolarHBondContact O-N 3.32Å; L143-H145 VanDerWaalsContact C-N 3.34Å; H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 PolarHBondContact ND1-N 3.47Å; H145-E147 PolarHBondContact O-N 2.8Å; H145-R148 HydrophobicContact CB-CB 4.15Å; H145-R148 HydrophobicContact CB-CG 4.28Å; H145-R148 CarbonylContact O-C 3.6Å; H145-R148 WeakPolarHBondContact O-CA 3.15Å; H145-R148 PolarHBondContact O-N 3.47Å; H145-R149 PolarHBondContact O-N 3.46Å
146	T	79.4	Confident	87	Confident	101 Å²	101	53.8 Å²	53.8	62%	0.62	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.4	-168.3	-41	0	0	0	0	114.5
147	E	76.4	Confident	86.7	Confident	117 Å²	117	53.8 Å²	53.8	55%	0.547	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-32.7	175.8	-69.2	-59.4	142.5	0	0	113.2	H145	H145-E147 VanDerWaalsContact C-N 3.26Å; H145-E147 PolarHBondContact ND1-N 3.47Å; H145-E147 PolarHBondContact O-N 2.8Å
148	R	78.7	Confident	86.5	Confident	114 Å²	114	54.5 Å²	54.5	43%	0.43	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-80.5	-23.1	-179.6	-67.2	-59.7	-166.6	178.8	3.7	113.3	L143 H145 K150 D151	L143-R148 CarbonylContact O-C 3.46Å; H145-R148 HydrophobicContact CB-CB 4.15Å; H145-R148 HydrophobicContact CB-CG 4.28Å; H145-R148 CarbonylContact O-C 3.6Å; H145-R148 WeakPolarHBondContact O-CA 3.15Å; H145-R148 PolarHBondContact O-N 3.47Å; R148-K150 PolarHBondContact O-N 3.19Å; R148-D151 VanDerWaalsContact CD-OD2 3.26Å; R148-D151 WeakPolarHBondContact CD-OD2 3.11Å; R148-D151 IonicContact CZ-OD2 2.89Å; R148-D151 IonicContact NE-OD2 3.79Å; R148-D151 IonicContact NH1-OD2 3.95Å; R148-D151 PolarHBondContact NH1-OD2 3Å; R148-D151 VanDerWaalsContact O-CB 3.27Å; R148-D151 WeakPolarHBondContact O-CB 3.46Å; R148-D151 PolarHBondContact O-N 3.4Å
149	R	76.5	Confident	86.5	Confident	93 Å²	93	54.9 Å²	54.9	35%	0.351	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.5	176.3	-167.7	-178.1	-59.3	-166.3	3.2	112.9	L143 C144 H145 N232	L143-R149 PolarHBondContact O-N 3.47Å; C144-R149 PolarHBondContact O-NE 3.31Å; C144-R149 PolarHBondContact O-NH2 3.18Å; H145-R149 PolarHBondContact O-N 3.46Å; R149-N232 PolarHBondContact NH2-O 3.08Å
150	K	78.1	Confident	86.5	Confident	110 Å²	110	54.3 Å²	54.3	48%	0.478	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-86.4	-12.1	176.9	-59	175.3	-172.2	163.2	0	112.4	R148 S574 G575	R148-K150 PolarHBondContact O-N 3.19Å; K150-S574 CarbonylContact O-C 3.6Å; K150-S574 VanDerWaalsContact O-CA 3.29Å; K150-S574 WeakPolarHBondContact O-CA 3.41Å; K150-S574 PolarHBondContact O-N 3.22Å; K150-G575 PolarHBondContact O-N 3.3Å
151	D	78.9	Confident	86.5	Confident	32 Å²	32	54.2 Å²	54.2	17%	0.171	25%	0.252	C	S	.	.	S	Bend	trans	-79.7	154.9	-177.5	-88.1	-18.7	0	0	0	112.1	R58 R148	R58-D151 IonicContact CZ-OD2 3.99Å; R58-D151 IonicContact NH1-OD1 3.48Å; R58-D151 IonicContact NH1-OD2 3.5Å; R58-D151 IonicContact NH2-OD2 2.73Å; R148-D151 VanDerWaalsContact CD-OD2 3.26Å; R148-D151 WeakPolarHBondContact CD-OD2 3.11Å; R148-D151 IonicContact CZ-OD2 2.89Å; R148-D151 IonicContact NE-OD2 3.79Å; R148-D151 IonicContact NH1-OD2 3.95Å; R148-D151 PolarHBondContact NH1-OD2 3Å; R148-D151 VanDerWaalsContact O-CB 3.27Å; R148-D151 WeakPolarHBondContact O-CB 3.46Å; R148-D151 PolarHBondContact O-N 3.4Å
152	F	83.4	Confident	86.6	Confident	25 Å²	25	47.7 Å²	47.7	11%	0.11	23%	0.227	C	C	.	.			trans	-66.7	136.2	171.9	170.5	-102.6	0	0	0	111.9	R58 Y59 T564 E567 A571	R58-F152 PolarHBondContact NH2-O 2.81Å; Y59-F152 HydrophobicContact CE1-CE1 4.45Å; F152-T564 HydrophobicContact CE1-CG2 4.17Å; F152-E567 HydrophobicContact CE2-CB 4.22Å; F152-E567 HydrophobicContact CE2-CG 3.81Å; F152-E567 VanDerWaalsContact CE2-OE1 3.24Å; F152-E567 WeakPolarHBondContact CE2-OE1 3.15Å; F152-E567 HydrophobicContact CZ-CB 3.84Å; F152-E567 HydrophobicContact CZ-CG 3.79Å; F152-E567 VanDerWaalsContact CZ-OE1 3.26Å; F152-E567 WeakPolarHBondContact CZ-OE1 3.31Å; F152-A571 HydrophobicContact CD2-CB 3.58Å; F152-A571 HydrophobicContact CE2-CB 3.97Å
153	V	85.5	Confident	86.8	Confident	32 Å²	32	46.8 Å²	46.8	19%	0.194	23%	0.226	C	C	.	.			trans	-126.7	135.9	170.7	-174.6	0	0	0	0	106.8	L143 Y157 L158	L143-V153 HydrophobicContact CD2-CG2 4.07Å; V153-Y157 HydrophobicContact CG1-CD1 3.88Å; V153-L158 HydrophobicContact CB-CD2 4.47Å; V153-L158 HydrophobicContact CG1-CD2 3.9Å; V153-L158 HydrophobicContact CG1-CG 4Å
154	S	88.6	Confident	87.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.			trans	-73.9	144.3	-176.6	61.6	0	0	0	0	112	Q62 A156 Y157 L158 E567	Q62-S154 PolarHBondContact NE2-OG 3.43Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.45Å; S154-Y157 PolarHBondContact O-N 3.33Å; S154-Y157 VanDerWaalsContact OG-CB 3.3Å; S154-Y157 WeakPolarHBondContact OG-CB 3.5Å; S154-Y157 PolarHBondContact OG-N 3.5Å; S154-L158 PolarHBondContact O-N 3.38Å; S154-E567 VanDerWaalsContact CA-OE1 3.29Å; S154-E567 WeakPolarHBondContact CA-OE1 3.23Å
155	E	90.9	Very high	87.4	Confident	50 Å²	50	45.6 Å²	45.6	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-54.5	-44.1	175.2	-74.6	175.1	-161.7	0	0	111.3	Y157 L158 L159 L244 Y248 E567 H596	E155-Y157 VanDerWaalsContact C-N 3.27Å; E155-Y157 PolarHBondContact O-N 3.24Å; E155-L158 PolarHBondContact O-N 3.33Å; E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 3.18Å; E155-L244 HydrophobicContact CB-CD1 4.1Å; E155-L244 HydrophobicContact CB-CD2 3.95Å; E155-L244 HydrophobicContact CG-CD1 3.64Å; E155-L244 HydrophobicContact CG-CD2 4.26Å; E155-L244 VanDerWaalsContact O-CD2 3.29Å; E155-L244 WeakPolarHBondContact O-CD2 3.42Å; E155-Y248 WeakPolarHBondContact CB-OH 3.49Å; E155-Y248 WeakPolarHBondContact OE2-CE1 3.37Å; E155-Y248 PolarHBondContact OE2-OH 3.5Å; E155-E567 VanDerWaalsContact CG-OE1 3.32Å; E155-E567 WeakPolarHBondContact CG-OE1 3.44Å; E155-E567 PolarHBondContact N-OE1 3.3Å; E155-E567 PolarHBondContact N-OE2 3.31Å; E155-H596 IonicContact OE2-CE1 3.43Å
156	A	88.4	Confident	87.7	Confident	37 Å²	37	40.9 Å²	40.9	31%	0.306	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-37.2	178.3	0	0	0	0	0	112.4	S154 T160 Y560	S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.45Å; A156-T160 PolarHBondContact O-N 2.96Å; A156-T160 VanDerWaalsContact O-N 3.12Å; A156-T160 PolarHBondContact O-OG1 3.02Å; A156-Y560 HydrophobicContact CB-CE2 4.2Å
157	Y	89.3	Confident	88.5	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-74.9	-38.8	178.1	-170.5	-128.3	0	0	0	111.9	V65 H66 M69 E139 L143 V153 S154 E155 L159 T160 L161	V65-Y157 HydrophobicContact CG1-CE2 4.33Å; V65-Y157 VanDerWaalsContact CG1-OH 3.27Å; V65-Y157 WeakPolarHBondContact CG1-OH 3.13Å; H66-Y157 HydrophobicContact CB-CD2 3.99Å; H66-Y157 HydrophobicContact CB-CE2 4.35Å; H66-Y157 AromaticContact CG-CD2 3.86Å; M69-Y157 HydrophobicContact CG-CE2 4.39Å; E139-Y157 PolarHBondContact OE2-OH 2.91Å; L143-Y157 HydrophobicContact CD1-CE1 3.98Å; V153-Y157 HydrophobicContact CG1-CD1 3.88Å; S154-Y157 PolarHBondContact O-N 3.33Å; S154-Y157 VanDerWaalsContact OG-CB 3.3Å; S154-Y157 WeakPolarHBondContact OG-CB 3.5Å; S154-Y157 PolarHBondContact OG-N 3.5Å; E155-Y157 VanDerWaalsContact C-N 3.27Å; E155-Y157 PolarHBondContact O-N 3.24Å; Y157-L159 VanDerWaalsContact C-N 3.29Å; Y157-L159 PolarHBondContact O-N 3.38Å; Y157-T160 PolarHBondContact O-N 3.39Å; Y157-L161 HydrophobicContact CD1-CD1 4.45Å; Y157-L161 HydrophobicContact CE1-CD1 4.29Å; Y157-L161 WeakPolarHBondContact O-CG 3.32Å; Y157-L161 PolarHBondContact O-N 3.36Å
158	L	91.8	Very high	89.5	Confident	16 Å²	16	31.1 Å²	31.1	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-40.9	172	-69.3	177.2	0	0	0	111.5	V153 S154 E155 T160 L161 G162 L237 D240 I241 L244	V153-L158 HydrophobicContact CB-CD2 4.47Å; V153-L158 HydrophobicContact CG1-CD2 3.9Å; V153-L158 HydrophobicContact CG1-CG 4Å; S154-L158 PolarHBondContact O-N 3.38Å; E155-L158 PolarHBondContact O-N 3.33Å; L158-T160 VanDerWaalsContact C-N 3.35Å; L158-L161 PolarHBondContact O-N 3.27Å; L158-G162 PolarHBondContact O-N 3.16Å; L158-L237 HydrophobicContact CD2-CD1 3.76Å; L158-D240 HydrophobicContact CD1-CB 4.3Å; L158-D240 HydrophobicContact CD2-CB 4.49Å; L158-I241 HydrophobicContact CB-CG1 4.3Å; L158-I241 HydrophobicContact CD2-CG1 3.96Å; L158-L244 HydrophobicContact CB-CD2 3.7Å; L158-L244 HydrophobicContact CD1-CD2 4.27Å
159	L	93.2	Very high	90.3	Very high	35 Å²	35	25.9 Å²	25.9	18%	0.183	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-40.7	176.2	-170.4	65.8	0	0	0	111.5	E155 Y157 G162 K163 Y248 L263	E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 3.18Å; Y157-L159 VanDerWaalsContact C-N 3.29Å; Y157-L159 PolarHBondContact O-N 3.38Å; L159-G162 CarbonylContact O-C 3.47Å; L159-G162 WeakPolarHBondContact O-CA 3.45Å; L159-G162 PolarHBondContact O-N 3.11Å; L159-G162 VanDerWaalsContact O-N 3.14Å; L159-K163 WeakPolarHBondContact O-CG 3.48Å; L159-K163 PolarHBondContact O-N 2.88Å; L159-Y248 HydrophobicContact CD2-CE2 4.38Å; L159-L263 HydrophobicContact CD1-CD2 3.82Å
160	T	93.1	Very high	91.2	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-43.6	173.7	-65.1	0	0	0	0	111.8	H66 M69 N70 L73 A156 Y157 L158 G162 K163 F164	H66-T160 PolarHBondContact NE2-OG1 3.22Å; M69-T160 HydrophobicContact CB-CG2 4.24Å; N70-T160 WeakPolarHBondContact OD1-CG2 3.38Å; L73-T160 HydrophobicContact CD1-CG2 3.94Å; A156-T160 PolarHBondContact O-N 2.96Å; A156-T160 VanDerWaalsContact O-N 3.12Å; A156-T160 PolarHBondContact O-OG1 3.02Å; Y157-T160 PolarHBondContact O-N 3.39Å; L158-T160 VanDerWaalsContact C-N 3.35Å; T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 3.17Å; T160-K163 WeakPolarHBondContact O-CB 3.45Å; T160-K163 PolarHBondContact O-N 3.02Å; T160-K163 VanDerWaalsContact O-N 3.08Å; T160-F164 HydrophobicContact CG2-CD2 4.37Å; T160-F164 HydrophobicContact CG2-CE2 4.29Å; T160-F164 WeakPolarHBondContact O-CD2 3.2Å; T160-F164 PolarHBondContact O-N 3.23Å
161	L	94.4	Very high	92.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-36.6	172.1	-65.7	176.3	0	0	0	111.9	M69 F136 L143 Y157 L158 F164 I165 L237 I241	M69-L161 HydrophobicContact CE-CD2 3.84Å; F136-L161 HydrophobicContact CD2-CD2 4Å; F136-L161 HydrophobicContact CE2-CB 4.1Å; F136-L161 HydrophobicContact CE2-CD2 3.87Å; L143-L161 HydrophobicContact CD1-CD1 3.87Å; Y157-L161 HydrophobicContact CD1-CD1 4.45Å; Y157-L161 HydrophobicContact CE1-CD1 4.29Å; Y157-L161 WeakPolarHBondContact O-CG 3.32Å; Y157-L161 PolarHBondContact O-N 3.36Å; L158-L161 PolarHBondContact O-N 3.27Å; L161-F164 WeakPolarHBondContact O-CB 3.27Å; L161-F164 PolarHBondContact O-N 3.36Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.2Å; L161-I165 VanDerWaalsContact O-N 3.17Å; L161-L237 HydrophobicContact CD1-CD2 4.4Å; L161-I241 HydrophobicContact CB-CD1 3.67Å; L161-I241 HydrophobicContact CD1-CD1 4.46Å
162	G	94.4	Very high	93	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-46.7	169.5	0	0	0	0	0	112.6	L158 L159 T160 F164 I165 N166 V266	L158-G162 PolarHBondContact O-N 3.16Å; L159-G162 CarbonylContact O-C 3.47Å; L159-G162 WeakPolarHBondContact O-CA 3.45Å; L159-G162 PolarHBondContact O-N 3.11Å; L159-G162 VanDerWaalsContact O-N 3.14Å; T160-G162 VanDerWaalsContact C-N 3.26Å; T160-G162 PolarHBondContact O-N 3.17Å; G162-F164 VanDerWaalsContact C-N 3.27Å; G162-F164 PolarHBondContact O-N 2.77Å; G162-I165 WeakPolarHBondContact O-CB 3.18Å; G162-I165 PolarHBondContact O-N 3.17Å; G162-I165 VanDerWaalsContact O-N 3.11Å; G162-N166 PolarHBondContact O-N 3.25Å; G162-V266 VanDerWaalsContact O-CG2 3.26Å; G162-V266 WeakPolarHBondContact O-CG2 3.41Å
163	K	94.9	Very high	93.5	Very high	78 Å²	78	16 Å²	16	34%	0.339	9%	0.085	S	C	.	.	H	α-helix	trans	-59.9	-35.4	175.7	-68	177.4	-177.8	-178.2	0	112.3	L73 L159 T160 N166 M167 M262	L73-K163 HydrophobicContact CD1-CB 3.8Å; L73-K163 HydrophobicContact CD1-CD 4.18Å; L73-K163 HydrophobicContact CD2-CB 4.1Å; L159-K163 WeakPolarHBondContact O-CG 3.48Å; L159-K163 PolarHBondContact O-N 2.88Å; T160-K163 WeakPolarHBondContact O-CB 3.45Å; T160-K163 PolarHBondContact O-N 3.02Å; T160-K163 VanDerWaalsContact O-N 3.08Å; K163-N166 PolarHBondContact O-N 3.41Å; K163-M167 WeakPolarHBondContact O-CB 3.35Å; K163-M167 PolarHBondContact O-N 3.33Å; K163-M262 HydrophobicContact CG-CE 4.39Å; K163-M262 HydrophobicContact CG-CG 4.33Å; K163-M262 HydrophobicContact CG-SD 4.29Å
164	F	96.2	Very high	93.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-46	172.8	-94.1	-99.4	0	0	0	112.1	M69 M72 L73 F136 T160 L161 G162 N166 M167 F168	M69-F164 HydrophobicContact CB-CE2 3.82Å; M69-F164 HydrophobicContact CB-CZ 4.11Å; M69-F164 HydrophobicContact CE-CD1 4.28Å; M69-F164 HydrophobicContact CE-CD2 3.88Å; M69-F164 HydrophobicContact CE-CE1 3.92Å; M69-F164 HydrophobicContact CE-CE2 3.5Å; M69-F164 VanDerWaalsContact CE-CE2 3.5Å; M69-F164 HydrophobicContact CE-CG 4.25Å; M69-F164 HydrophobicContact CE-CZ 3.5Å; M69-F164 WeakPolarHBondContact O-CE2 3.44Å; M69-F164 VanDerWaalsContact O-CZ 3.27Å; M69-F164 WeakPolarHBondContact O-CZ 3.42Å; M69-F164 HydrophobicContact SD-CE1 4.42Å; M69-F164 HydrophobicContact SD-CE2 4.19Å; M69-F164 HydrophobicContact SD-CZ 3.8Å; M72-F164 HydrophobicContact CB-CE1 4.47Å; M72-F164 HydrophobicContact CB-CZ 3.99Å; M72-F164 HydrophobicContact CG-CE1 4.1Å; M72-F164 HydrophobicContact CG-CZ 4.13Å; M72-F164 HydrophobicContact SD-CE1 3.8Å; M72-F164 HydrophobicContact SD-CZ 4.11Å; L73-F164 HydrophobicContact CD1-CD2 4.07Å; L73-F164 HydrophobicContact CD1-CE2 3.99Å; L73-F164 HydrophobicContact CD2-CD2 3.58Å; L73-F164 HydrophobicContact CD2-CE2 3.79Å; L73-F164 HydrophobicContact CD2-CG 4.01Å; L73-F164 HydrophobicContact CD2-CZ 4.41Å; L73-F164 HydrophobicContact CG-CD2 3.79Å; L73-F164 HydrophobicContact CG-CE2 3.52Å; L73-F164 HydrophobicContact CG-CZ 4.2Å; F136-F164 HydrophobicContact CB-CD1 4.29Å; F136-F164 HydrophobicContact CD2-CB 3.63Å; F136-F164 HydrophobicContact CD2-CD1 4.15Å; F136-F164 AromaticContact CD2-CG 4Å; F136-F164 HydrophobicContact CD2-CG 4Å; F136-F164 HydrophobicContact CE2-CB 3.83Å; T160-F164 HydrophobicContact CG2-CD2 4.37Å; T160-F164 HydrophobicContact CG2-CE2 4.29Å; T160-F164 WeakPolarHBondContact O-CD2 3.2Å; T160-F164 PolarHBondContact O-N 3.23Å; L161-F164 WeakPolarHBondContact O-CB 3.27Å; L161-F164 PolarHBondContact O-N 3.36Å; G162-F164 VanDerWaalsContact C-N 3.27Å; G162-F164 PolarHBondContact O-N 2.77Å; F164-N166 VanDerWaalsContact C-N 3.28Å; F164-N166 PolarHBondContact O-N 2.83Å; F164-M167 HydrophobicContact CD1-CE 3.84Å; F164-M167 HydrophobicContact CE1-CE 4.08Å; F164-M167 WeakPolarHBondContact O-CB 3.43Å; F164-M167 PolarHBondContact O-N 3.4Å; F164-M167 VanDerWaalsContact O-N 3.11Å; F164-F168 HydrophobicContact CB-CE2 4.27Å; F164-F168 HydrophobicContact CD1-CE2 4.24Å; F164-F168 HydrophobicContact CD1-CZ 4.11Å; F164-F168 WeakPolarHBondContact O-CD2 3.38Å; F164-F168 WeakPolarHBondContact O-CG 3.41Å; F164-F168 PolarHBondContact O-N 3.29Å
165	I	93.8	Very high	94.3	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-56.8	-46.5	176.1	-65.6	164.6	0	0	0	109.7	F136 L161 G162 F168 A169 L238 I241 F269 L273	F136-I165 HydrophobicContact CE1-CG1 4.37Å; F136-I165 HydrophobicContact CE2-CG1 4.18Å; F136-I165 HydrophobicContact CZ-CD1 4.07Å; F136-I165 HydrophobicContact CZ-CG1 3.63Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.2Å; L161-I165 VanDerWaalsContact O-N 3.17Å; G162-I165 WeakPolarHBondContact O-CB 3.18Å; G162-I165 PolarHBondContact O-N 3.17Å; G162-I165 VanDerWaalsContact O-N 3.11Å; I165-F168 PolarHBondContact O-N 3.45Å; I165-A169 PolarHBondContact O-N 2.92Å; I165-L238 HydrophobicContact CD1-CD2 3.54Å; I165-I241 HydrophobicContact CD1-CD1 4.09Å; I165-F269 HydrophobicContact CG2-CB 4.16Å; I165-F269 HydrophobicContact CG2-CD1 3.34Å; I165-F269 HydrophobicContact CG2-CE1 4.08Å; I165-F269 HydrophobicContact CG2-CG 4.09Å; I165-F269 VanDerWaalsContact O-CD1 3.22Å; I165-F269 WeakPolarHBondContact O-CD1 3.4Å; I165-F269 WeakPolarHBondContact O-CE1 3.33Å; I165-L273 HydrophobicContact CG2-CD1 3.83Å
166	N	95.1	Very high	94.4	Very high	11 Å²	11	13.8 Å²	13.8	6%	0.059	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-39.7	175.1	178.3	85.5	0	0	0	113.1	G162 K163 F164 F168 A169 V170 M262 K265 V266	G162-N166 PolarHBondContact O-N 3.25Å; K163-N166 PolarHBondContact O-N 3.41Å; F164-N166 VanDerWaalsContact C-N 3.28Å; F164-N166 PolarHBondContact O-N 2.83Å; N166-F168 VanDerWaalsContact C-N 3.3Å; N166-F168 PolarHBondContact O-N 2.7Å; N166-A169 WeakPolarHBondContact O-CB 3.44Å; N166-A169 PolarHBondContact O-N 2.99Å; N166-A169 VanDerWaalsContact O-N 3.15Å; N166-V170 WeakPolarHBondContact O-CG2 3.42Å; N166-V170 PolarHBondContact O-N 3.45Å; N166-M262 HydrophobicContact CB-CE 4.31Å; N166-M262 HydrophobicContact CB-SD 3.45Å; N166-M262 WeakPolarHBondContact CB-SD 3.35Å; N166-M262 WeakPolarHBondContact ND2-CE 3.47Å; N166-K265 VanDerWaalsContact OD1-CB 3.32Å; N166-K265 WeakPolarHBondContact OD1-CB 3.43Å; N166-K265 WeakPolarHBondContact OD1-CD 3.44Å; N166-K265 WeakPolarHBondContact OD1-CE 3.43Å; N166-V266 HydrophobicContact CB-CG2 4.22Å
167	M	97.4	Very high	94.4	Very high	13 Å²	13	13.1 Å²	13.1	6%	0.064	6%	0.064	C	C	.	.	H	α-helix	trans	-57.9	-43.8	176.9	-179.7	-170	73.1	0	0	111	L73 F128 A132 K163 F164 A169 V170 L171	L73-M167 HydrophobicContact CD2-CB 4.12Å; L73-M167 HydrophobicContact CD2-SD 3.92Å; F128-M167 HydrophobicContact CE1-CE 4.38Å; F128-M167 HydrophobicContact CE1-SD 4.45Å; F128-M167 HydrophobicContact CZ-CE 4.21Å; F128-M167 HydrophobicContact CZ-SD 4.15Å; A132-M167 HydrophobicContact CB-CE 4.18Å; K163-M167 WeakPolarHBondContact O-CB 3.35Å; K163-M167 PolarHBondContact O-N 3.33Å; F164-M167 HydrophobicContact CD1-CE 3.84Å; F164-M167 HydrophobicContact CE1-CE 4.08Å; F164-M167 WeakPolarHBondContact O-CB 3.43Å; F164-M167 PolarHBondContact O-N 3.4Å; F164-M167 VanDerWaalsContact O-N 3.11Å; M167-A169 PolarHBondContact O-N 2.91Å; M167-V170 PolarHBondContact O-N 3.49Å; M167-L171 HydrophobicContact CG-CD1 3.91Å; M167-L171 HydrophobicContact CG-CG 4.4Å; M167-L171 WeakPolarHBondContact O-CB 3.27Å; M167-L171 VanDerWaalsContact O-CG 3.31Å; M167-L171 WeakPolarHBondContact O-CG 3.47Å; M167-L171 PolarHBondContact O-N 3.18Å
168	F	97.4	Very high	94.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.9	-42.3	175.5	-63	-53	0	0	0	112.1	A132 I133 F136 F164 I165 N166 L171 D172 I220 L224 F269	A132-F168 HydrophobicContact CB-CE1 3.87Å; A132-F168 HydrophobicContact CB-CZ 4.19Å; I133-F168 HydrophobicContact CG1-CD1 4.1Å; I133-F168 HydrophobicContact CG1-CE1 3.64Å; I133-F168 HydrophobicContact CG1-CZ 4.01Å; F136-F168 HydrophobicContact CB-CE2 4.03Å; F136-F168 HydrophobicContact CB-CZ 4.06Å; F136-F168 HydrophobicContact CD1-CE2 4.04Å; F136-F168 HydrophobicContact CD2-CE2 4.42Å; F136-F168 AromaticContact CG-CE2 3.91Å; F136-F168 HydrophobicContact CG-CE2 3.91Å; F136-F168 HydrophobicContact CG-CZ 4.44Å; F164-F168 HydrophobicContact CB-CE2 4.27Å; F164-F168 HydrophobicContact CD1-CE2 4.24Å; F164-F168 HydrophobicContact CD1-CZ 4.11Å; F164-F168 WeakPolarHBondContact O-CD2 3.38Å; F164-F168 WeakPolarHBondContact O-CG 3.41Å; F164-F168 PolarHBondContact O-N 3.29Å; I165-F168 PolarHBondContact O-N 3.45Å; N166-F168 VanDerWaalsContact C-N 3.3Å; N166-F168 PolarHBondContact O-N 2.7Å; F168-L171 PolarHBondContact O-N 2.97Å; F168-D172 WeakPolarHBondContact O-CB 3.36Å; F168-D172 PolarHBondContact O-N 2.85Å; F168-I220 HydrophobicContact CB-CG2 4.03Å; F168-I220 HydrophobicContact CD1-CG2 3.91Å; F168-I220 HydrophobicContact CG-CG2 4.34Å; F168-L224 HydrophobicContact CB-CD2 4.18Å; F168-L224 HydrophobicContact CD2-CD1 4.3Å; F168-L224 HydrophobicContact CD2-CD2 3.66Å; F168-L224 HydrophobicContact CE2-CD1 4.2Å; F168-L224 HydrophobicContact CE2-CD2 4.37Å; F168-L224 HydrophobicContact CG-CD2 4.13Å; F168-F269 HydrophobicContact CB-CE1 4.49Å
169	A	94.7	Very high	94.7	Very high	3 Å²	3	15.9 Å²	15.9	3%	0.025	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-46.3	175.3	0	0	0	0	0	112.1	I165 N166 M167 D172 E173 F269	I165-A169 PolarHBondContact O-N 2.92Å; N166-A169 WeakPolarHBondContact O-CB 3.44Å; N166-A169 PolarHBondContact O-N 2.99Å; N166-A169 VanDerWaalsContact O-N 3.15Å; M167-A169 PolarHBondContact O-N 2.91Å; A169-D172 PolarHBondContact O-N 2.98Å; A169-E173 WeakPolarHBondContact O-CB 3.08Å; A169-E173 WeakPolarHBondContact O-CG 3.44Å; A169-E173 PolarHBondContact O-N 2.96Å; A169-F269 HydrophobicContact CB-CD1 3.69Å; A169-F269 HydrophobicContact CB-CE1 3.81Å; A169-F269 HydrophobicContact CB-CG 4.17Å; A169-F269 HydrophobicContact CB-CZ 4.34Å
170	V	96.1	Very high	94.7	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-50.3	177.8	169.1	0	0	0	0	110.9	A80 N166 M167 D172 L174 L307 F308	A80-V170 HydrophobicContact CB-CG1 3.94Å; N166-V170 WeakPolarHBondContact O-CG2 3.42Å; N166-V170 PolarHBondContact O-N 3.45Å; M167-V170 PolarHBondContact O-N 3.49Å; V170-D172 PolarHBondContact O-N 3.19Å; V170-L174 HydrophobicContact CG1-CD1 3.76Å; V170-L174 HydrophobicContact CG1-CG 4.42Å; V170-L174 WeakPolarHBondContact O-CB 3.45Å; V170-L174 VanDerWaalsContact O-CG 3.26Å; V170-L174 WeakPolarHBondContact O-CG 3.27Å; V170-L174 PolarHBondContact O-N 2.98Å; V170-L307 HydrophobicContact CG2-CD1 3.59Å; V170-L307 HydrophobicContact CG2-CG 4.12Å; V170-F308 HydrophobicContact CG1-CB 4.1Å; V170-F308 HydrophobicContact CG1-CD2 3.74Å; V170-F308 HydrophobicContact CG1-CG 4.22Å
171	L	97.4	Very high	94.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-65.9	-38.6	-177.7	-68.7	173.6	0	0	0	112.4	A80 L83 F125 F128 M167 F168 K175 I220	A80-L171 HydrophobicContact CB-CD2 3.95Å; L83-L171 HydrophobicContact CD1-CD2 4.14Å; F125-L171 HydrophobicContact CE2-CB 4.27Å; F125-L171 HydrophobicContact CE2-CD1 4.26Å; F125-L171 HydrophobicContact CE2-CD2 3.96Å; F125-L171 HydrophobicContact CE2-CG 4.39Å; F125-L171 HydrophobicContact CZ-CB 4.39Å; F128-L171 HydrophobicContact CE1-CD1 3.91Å; M167-L171 HydrophobicContact CG-CD1 3.91Å; M167-L171 HydrophobicContact CG-CG 4.4Å; M167-L171 WeakPolarHBondContact O-CB 3.27Å; M167-L171 VanDerWaalsContact O-CG 3.31Å; M167-L171 WeakPolarHBondContact O-CG 3.47Å; M167-L171 PolarHBondContact O-N 3.18Å; F168-L171 PolarHBondContact O-N 2.97Å; L171-K175 WeakPolarHBondContact O-CB 3.26Å; L171-K175 PolarHBondContact O-N 2.82Å; L171-I220 HydrophobicContact CB-CD1 3.95Å
172	D	96.1	Very high	94.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-70.3	-43.4	179.5	-148.5	24.6	0	0	0	111.3	F168 A169 V170 K175 N176 N218 K219 I220 T221	F168-D172 WeakPolarHBondContact O-CB 3.36Å; F168-D172 PolarHBondContact O-N 2.85Å; A169-D172 PolarHBondContact O-N 2.98Å; V170-D172 PolarHBondContact O-N 3.19Å; D172-K175 PolarHBondContact O-N 3.44Å; D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.34Å; D172-N176 PolarHBondContact O-N 2.95Å; D172-N176 PolarHBondContact O-ND2 3.49Å; D172-N218 WeakPolarHBondContact OD2-CA 3.5Å; D172-K219 PolarHBondContact OD1-N 3.47Å; D172-I220 HydrophobicContact CB-CB 3.89Å; D172-I220 HydrophobicContact CB-CD1 4.26Å; D172-I220 WeakPolarHBondContact OD1-CB 3.19Å; D172-I220 PolarHBondContact OD1-N 3.48Å; D172-T221 WeakPolarHBondContact OD2-CB 3.23Å; D172-T221 PolarHBondContact OD2-N 3.13Å; D172-T221 PolarHBondContact OD2-OG1 3.26Å
173	E	93.9	Very high	94.7	Very high	43 Å²	43	22 Å²	22	20%	0.201	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-40.5	178.4	-68.2	-62.7	171.5	0	0	112.3	A169 K175 N176 M177 L307 M311	A169-E173 WeakPolarHBondContact O-CB 3.08Å; A169-E173 WeakPolarHBondContact O-CG 3.44Å; A169-E173 PolarHBondContact O-N 2.96Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 3.46Å; E173-N176 WeakPolarHBondContact O-CB 3.31Å; E173-N176 PolarHBondContact O-N 3.33Å; E173-M177 WeakPolarHBondContact O-CG 3.03Å; E173-M177 PolarHBondContact O-N 3.41Å; E173-L307 HydrophobicContact CB-CD2 3.86Å; E173-L307 HydrophobicContact CG-CD2 3.9Å; E173-M311 HydrophobicContact CB-CE 3.87Å; E173-M311 HydrophobicContact CB-SD 4.12Å
174	L	95.6	Very high	94.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-41.2	172.7	-73.7	174.3	0	0	0	111.8	A80 L83 Y84 V170 M177 K178 F308 M311	A80-L174 HydrophobicContact CB-CD1 3.78Å; A80-L174 WeakPolarHBondContact O-CD1 3.38Å; L83-L174 HydrophobicContact CB-CB 3.94Å; L83-L174 HydrophobicContact CB-CD1 4.38Å; L83-L174 HydrophobicContact CD1-CB 3.98Å; Y84-L174 HydrophobicContact CD2-CD2 3.96Å; Y84-L174 HydrophobicContact CG-CD2 4.48Å; V170-L174 HydrophobicContact CG1-CD1 3.76Å; V170-L174 HydrophobicContact CG1-CG 4.42Å; V170-L174 WeakPolarHBondContact O-CB 3.45Å; V170-L174 VanDerWaalsContact O-CG 3.26Å; V170-L174 WeakPolarHBondContact O-CG 3.27Å; V170-L174 PolarHBondContact O-N 2.98Å; L174-M177 HydrophobicContact CD2-CE 3.52Å; L174-M177 WeakPolarHBondContact O-CG 3.41Å; L174-K178 WeakPolarHBondContact O-CB 3.44Å; L174-K178 VanDerWaalsContact O-CG 3.27Å; L174-K178 WeakPolarHBondContact O-CG 3.39Å; L174-K178 PolarHBondContact O-N 3.11Å; L174-F308 HydrophobicContact CD1-CB 4.38Å; L174-F308 HydrophobicContact CD1-CD1 4.13Å; L174-F308 HydrophobicContact CD1-CD2 4.35Å; L174-F308 HydrophobicContact CD1-CG 4.04Å; L174-F308 HydrophobicContact CD2-CB 4.46Å; L174-F308 HydrophobicContact CD2-CD1 4.27Å; L174-M311 HydrophobicContact CD2-CE 3.56Å; L174-M311 HydrophobicContact CD2-SD 4.31Å; L174-M311 HydrophobicContact CG-CE 3.71Å
175	K	95.9	Very high	94.7	Very high	16 Å²	16	18.5 Å²	18.5	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-41.4	174.4	176.7	-167.1	159.7	-65.8	0	111.4	F125 L171 D172 E173 F213 N216 I220	F125-K175 HydrophobicContact CE1-CD 4.39Å; L171-K175 WeakPolarHBondContact O-CB 3.26Å; L171-K175 PolarHBondContact O-N 2.82Å; D172-K175 PolarHBondContact O-N 3.44Å; E173-K175 VanDerWaalsContact C-N 3.34Å; E173-K175 PolarHBondContact O-N 3.46Å; K175-F213 HydrophobicContact CD-CE1 3.93Å; K175-F213 HydrophobicContact CD-CE2 4.09Å; K175-F213 HydrophobicContact CD-CZ 3.59Å; K175-F213 WeakPolarHBondContact CE-O 3.36Å; K175-F213 PolarHBondContact NZ-O 3.12Å; K175-N216 PolarHBondContact NZ-O 3.08Å; K175-I220 HydrophobicContact CD-CD1 4.41Å
176	N	92.4	Very high	94.7	Very high	21 Å²	21	20.8 Å²	20.8	11%	0.112	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-41.6	-178.3	-80.4	-20	0	0	0	112	D172 E173 H217 N218	D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.34Å; D172-N176 PolarHBondContact O-N 2.95Å; D172-N176 PolarHBondContact O-ND2 3.49Å; E173-N176 WeakPolarHBondContact O-CB 3.31Å; E173-N176 PolarHBondContact O-N 3.33Å; N176-H217 VanDerWaalsContact CB-CE1 3.43Å; N176-H217 WeakPolarHBondContact CB-CE1 3.48Å; N176-H217 PolarHBondContact OD1-ND1 3Å; N176-N218 PolarHBondContact ND2-OD1 3.47Å; N176-N218 PolarHBondContact OD1-N 3.4Å
177	M	89.5	Confident	94.6	Very high	22 Å²	22	21.1 Å²	21.1	11%	0.108	12%	0.117	C	C	.	.	H	α-helix	trans	-77.9	-31.1	-178.6	71.2	90	163.6	0	0	113	Y84 E173 L174 C179 M311 F626 E629	Y84-M177 HydrophobicContact CD2-CE 4.27Å; E173-M177 WeakPolarHBondContact O-CG 3.03Å; E173-M177 PolarHBondContact O-N 3.41Å; L174-M177 HydrophobicContact CD2-CE 3.52Å; L174-M177 WeakPolarHBondContact O-CG 3.41Å; M177-C179 PolarHBondContact O-N 3.38Å; M177-M311 HydrophobicContact CG-SD 4.12Å; M177-F626 HydrophobicContact CB-CD2 4.12Å; M177-F626 HydrophobicContact CB-CE2 4.12Å; M177-F626 HydrophobicContact CE-CB 4.34Å; M177-F626 HydrophobicContact CE-CD2 4.41Å; M177-F626 HydrophobicContact CG-CD2 4.01Å; M177-F626 HydrophobicContact CG-CE2 4.46Å; M177-F626 HydrophobicContact SD-CD2 4.02Å; M177-E629 WeakPolarHBondContact O-CG 3.36Å; M177-E629 HydrophobicContact SD-CB 4.22Å; M177-E629 HydrophobicContact SD-CG 4.07Å
178	K	93.8	Very high	94.5	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.026	12%	0.119	C	C	.	.			trans	-76.6	82.3	-176.3	-73.8	-70.6	172	171.1	0	113.7	L83 Y84 W86 L174 S180 V181 E629	L83-K178 WeakPolarHBondContact O-CD 3.48Å; L83-K178 WeakPolarHBondContact O-CE 3.48Å; L83-K178 WeakPolarHBondContact O-CG 3.46Å; Y84-K178 VanDerWaalsContact O-CE 3.23Å; Y84-K178 WeakPolarHBondContact O-CE 3.45Å; Y84-K178 PolarHBondContact O-NZ 3.17Å; W86-K178 PolarHBondContact O-NZ 3.11Å; L174-K178 WeakPolarHBondContact O-CB 3.44Å; L174-K178 VanDerWaalsContact O-CG 3.27Å; L174-K178 WeakPolarHBondContact O-CG 3.39Å; L174-K178 PolarHBondContact O-N 3.11Å; K178-S180 PolarHBondContact O-N 3.28Å; K178-V181 HydrophobicContact CB-CB 4.24Å; K178-V181 HydrophobicContact CB-CG2 3.87Å; K178-V181 HydrophobicContact CG-CG2 4.49Å; K178-V181 PolarHBondContact O-N 3.16Å; K178-E629 HydrophobicContact CD-CG 4.26Å; K178-E629 IonicContact NZ-OE2 3.26Å
179	C	92.9	Very high	94.2	Very high	70 Å²	70	23.4 Å²	23.4	47%	0.473	13%	0.126	S	C	.	.	H	α-helix	trans	-62.3	-33.8	167.2	-66.6	0	0	0	0	111.7	M177 V181 K182 N183 E629	M177-C179 PolarHBondContact O-N 3.38Å; C179-V181 VanDerWaalsContact C-N 3.32Å; C179-V181 PolarHBondContact O-N 3.18Å; C179-K182 PolarHBondContact O-N 3.05Å; C179-N183 WeakPolarHBondContact O-CB 3.45Å; C179-N183 VanDerWaalsContact O-CG 3.23Å; C179-N183 PolarHBondContact O-N 3.13Å; C179-N183 PolarHBondContact O-ND2 3.24Å; C179-E629 WeakPolarHBondContact CA-OE1 3.38Å; C179-E629 WeakPolarHBondContact CB-OE1 3.33Å; C179-E629 PolarHBondContact N-OE1 2.92Å
180	S	94.5	Very high	94.1	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-50.2	-47.7	175.1	-68.1	0	0	0	0	112.9	S88 K178 K182 N183 D184 E629	S88-S180 WeakPolarHBondContact CB-OG 3.38Å; K178-S180 PolarHBondContact O-N 3.28Å; S180-K182 PolarHBondContact O-N 2.73Å; S180-N183 PolarHBondContact O-N 3.43Å; S180-D184 WeakPolarHBondContact O-CB 3.34Å; S180-D184 PolarHBondContact O-N 3.12Å; S180-E629 WeakPolarHBondContact CB-OE2 3.42Å; S180-E629 PolarHBondContact N-OE1 3.26Å; S180-E629 VanDerWaalsContact OG-CD 3.29Å; S180-E629 PolarHBondContact OG-OE1 3.45Å; S180-E629 VanDerWaalsContact OG-OE1 3.13Å; S180-E629 PolarHBondContact OG-OE2 3.22Å
181	V	94.3	Very high	93.9	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.024	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-46.9	179	168.5	0	0	0	0	111.7	L83 W86 L122 K178 C179 N183 H185 L214	L83-V181 HydrophobicContact CD2-CG2 4.26Å; W86-V181 HydrophobicContact CB-CG2 4Å; W86-V181 HydrophobicContact CD2-CG2 3.66Å; W86-V181 HydrophobicContact CE3-CG2 4.14Å; W86-V181 HydrophobicContact CG-CG2 3.58Å; L122-V181 HydrophobicContact CD1-CG1 3.71Å; L122-V181 HydrophobicContact CD2-CG1 3.42Å; L122-V181 VanDerWaalsContact CD2-CG1 3.42Å; L122-V181 HydrophobicContact CD2-CG2 4.44Å; L122-V181 HydrophobicContact CG-CG1 4.21Å; K178-V181 HydrophobicContact CB-CB 4.24Å; K178-V181 HydrophobicContact CB-CG2 3.87Å; K178-V181 HydrophobicContact CG-CG2 4.49Å; K178-V181 PolarHBondContact O-N 3.16Å; C179-V181 VanDerWaalsContact C-N 3.32Å; C179-V181 PolarHBondContact O-N 3.18Å; V181-N183 PolarHBondContact O-N 3Å; V181-H185 PolarHBondContact O-N 3.25Å; V181-L214 HydrophobicContact CG1-CD1 4.26Å; V181-L214 HydrophobicContact CG1-CD2 3.77Å
182	K	92.8	Very high	93.6	Very high	93 Å²	93	30.2 Å²	30.2	40%	0.404	15%	0.151	S	C	.	.	H	α-helix	trans	-63.8	-41.7	179	-178.8	-177	175.7	-178	0	111.7	C179 S180 S186	C179-K182 PolarHBondContact O-N 3.05Å; S180-K182 PolarHBondContact O-N 2.73Å; K182-S186 WeakPolarHBondContact O-CB 3.4Å; K182-S186 PolarHBondContact O-N 3.01Å; K182-S186 VanDerWaalsContact O-N 3.1Å; K182-S186 PolarHBondContact O-OG 2.99Å
183	N	94.1	Very high	93.2	Very high	68 Å²	68	35.7 Å²	35.7	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-70.4	-41.8	-177.5	-69.6	-21.4	0	0	0	111.9	C179 S180 V181 S186 A187	C179-N183 WeakPolarHBondContact O-CB 3.45Å; C179-N183 VanDerWaalsContact O-CG 3.23Å; C179-N183 PolarHBondContact O-N 3.13Å; C179-N183 PolarHBondContact O-ND2 3.24Å; S180-N183 PolarHBondContact O-N 3.43Å; V181-N183 PolarHBondContact O-N 3Å; N183-S186 WeakPolarHBondContact O-CB 3.23Å; N183-S186 PolarHBondContact O-N 3.18Å; N183-A187 PolarHBondContact O-N 3.22Å
184	D	96	Very high	93	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-46.5	178.6	-69.4	-8.5	0	0	0	111.1	W86 S88 C89 S90 L115 S180 S186 A187 Y188	W86-D184 PolarHBondContact NE1-OD2 2.73Å; S88-D184 WeakPolarHBondContact CA-OD2 3.35Å; S88-D184 PolarHBondContact OG-OD1 3.06Å; C89-D184 PolarHBondContact N-OD1 2.77Å; C89-D184 PolarHBondContact N-OD2 3.21Å; S90-D184 WeakPolarHBondContact CB-OD1 3.22Å; S90-D184 PolarHBondContact N-OD1 3.09Å; S90-D184 PolarHBondContact OG-OD1 3.11Å; L115-D184 HydrophobicContact CD2-CB 3.99Å; S180-D184 WeakPolarHBondContact O-CB 3.34Å; S180-D184 PolarHBondContact O-N 3.12Å; D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 3.37Å; D184-A187 PolarHBondContact O-N 2.89Å; D184-Y188 PolarHBondContact O-N 3.35Å
185	H	94.7	Very high	92.7	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-38.4	173.2	173.4	-109.3	0	0	0	112.4	L122 V181 Y188 K189 S211 L214	L122-H185 HydrophobicContact CD1-CB 4.24Å; V181-H185 PolarHBondContact O-N 3.25Å; H185-Y188 PolarHBondContact O-N 3.26Å; H185-K189 WeakPolarHBondContact O-CB 3.46Å; H185-K189 PolarHBondContact O-N 3.48Å; H185-S211 PolarHBondContact CE1-OG 3.14Å; H185-L214 HydrophobicContact CB-CD1 3.8Å
186	S	93.6	Very high	92.2	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-67.2	-37.2	177.6	-59.7	0	0	0	0	112.5	K182 N183 D184 R190	K182-S186 WeakPolarHBondContact O-CB 3.4Å; K182-S186 PolarHBondContact O-N 3.01Å; K182-S186 VanDerWaalsContact O-N 3.1Å; K182-S186 PolarHBondContact O-OG 2.99Å; N183-S186 WeakPolarHBondContact O-CB 3.23Å; N183-S186 PolarHBondContact O-N 3.18Å; D184-S186 VanDerWaalsContact C-N 3.28Å; D184-S186 PolarHBondContact O-N 3.37Å; S186-R190 WeakPolarHBondContact O-CB 3.48Å; S186-R190 PolarHBondContact O-N 3.31Å; S186-R190 VanDerWaalsContact O-N 3.12Å
187	A	93.9	Very high	91.5	Very high	18 Å²	18	53.6 Å²	53.6	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-45.6	174.4	0	0	0	0	0	111.3	L115 N183 D184 R190 A191	L115-A187 HydrophobicContact CD1-CB 4.13Å; N183-A187 PolarHBondContact O-N 3.22Å; D184-A187 PolarHBondContact O-N 2.89Å; A187-R190 PolarHBondContact O-N 3.29Å; A187-A191 PolarHBondContact O-N 2.94Å; A187-A191 VanDerWaalsContact O-N 3.08Å
188	Y	94.7	Very high	90.4	Very high	23 Å²	23	54.4 Å²	54.4	9%	0.09	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-52.1	173.2	170.2	-100.1	0	0	0	111.9	V112 L115 E116 V119 D184 H185 R190 A191 A192 M198	V112-Y188 HydrophobicContact CB-CE2 4.46Å; V112-Y188 HydrophobicContact CG1-CE2 4.02Å; V112-Y188 HydrophobicContact CG2-CD2 4.39Å; V112-Y188 HydrophobicContact CG2-CE2 4.34Å; L115-Y188 HydrophobicContact CB-CD2 4.03Å; L115-Y188 HydrophobicContact CB-CG 4.38Å; E116-Y188 HydrophobicContact CB-CE2 3.77Å; E116-Y188 HydrophobicContact CG-CE2 4.22Å; V119-Y188 HydrophobicContact CB-CD1 4.29Å; V119-Y188 HydrophobicContact CB-CE1 4.42Å; V119-Y188 HydrophobicContact CG1-CD1 4.09Å; V119-Y188 HydrophobicContact CG1-CE1 4.03Å; V119-Y188 HydrophobicContact CG2-CD1 3.74Å; V119-Y188 HydrophobicContact CG2-CD2 4.35Å; V119-Y188 HydrophobicContact CG2-CE1 4.35Å; V119-Y188 HydrophobicContact CG2-CG 3.73Å; D184-Y188 PolarHBondContact O-N 3.35Å; H185-Y188 PolarHBondContact O-N 3.26Å; Y188-R190 VanDerWaalsContact C-N 3.27Å; Y188-R190 PolarHBondContact O-N 3.01Å; Y188-A191 PolarHBondContact O-N 3.49Å; Y188-A191 VanDerWaalsContact O-N 3.11Å; Y188-A192 HydrophobicContact CE1-CB 4.41Å; Y188-A192 HydrophobicContact CE2-CB 4.45Å; Y188-A192 WeakPolarHBondContact O-CB 3.19Å; Y188-A192 PolarHBondContact O-N 3.46Å; Y188-M198 HydrophobicContact CD1-CE 4.48Å; Y188-M198 HydrophobicContact CE1-CE 3.66Å
189	K	92.3	Very high	88.7	Confident	38 Å²	38	59 Å²	59	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-57.2	-42	-178.8	-172.6	176.4	-174.3	179	0	111.4	H185 Q193 S211	H185-K189 WeakPolarHBondContact O-CB 3.46Å; H185-K189 PolarHBondContact O-N 3.48Å; K189-Q193 VanDerWaalsContact O-CB 3.31Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 WeakPolarHBondContact O-CG 3.18Å; K189-Q193 PolarHBondContact O-N 3.28Å; K189-S211 PolarHBondContact NZ-OG 3.33Å
190	R	91.3	Very high	88	Confident	155 Å²	155	61.5 Å²	61.5	59%	0.585	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-44.7	177.2	-167.1	-174.3	-57.1	144.4	4.4	112	S186 A187 Y188 F194	S186-R190 WeakPolarHBondContact O-CB 3.48Å; S186-R190 PolarHBondContact O-N 3.31Å; S186-R190 VanDerWaalsContact O-N 3.12Å; A187-R190 PolarHBondContact O-N 3.29Å; Y188-R190 VanDerWaalsContact C-N 3.27Å; Y188-R190 PolarHBondContact O-N 3.01Å; R190-F194 WeakPolarHBondContact O-CB 3.29Å; R190-F194 PolarHBondContact O-N 3.1Å; R190-F194 VanDerWaalsContact O-N 3.14Å
191	A	92.1	Very high	87.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.3	-46.7	179.1	0	0	0	0	0	112.1	Y108 T111 V112 A187 Y188 Q193 F194 L195	Y108-A191 HydrophobicContact CD1-CB 3.5Å; Y108-A191 VanDerWaalsContact CD1-CB 3.5Å; Y108-A191 HydrophobicContact CE1-CB 4.33Å; Y108-A191 HydrophobicContact CG-CB 4.07Å; T111-A191 HydrophobicContact CG2-CB 3.74Å; V112-A191 HydrophobicContact CG2-CB 3.75Å; A187-A191 PolarHBondContact O-N 2.94Å; A187-A191 VanDerWaalsContact O-N 3.08Å; Y188-A191 PolarHBondContact O-N 3.49Å; Y188-A191 VanDerWaalsContact O-N 3.11Å; A191-Q193 PolarHBondContact O-N 3.07Å; A191-F194 WeakPolarHBondContact O-CB 3.5Å; A191-F194 PolarHBondContact O-N 2.73Å; A191-L195 WeakPolarHBondContact O-CG 3.39Å; A191-L195 PolarHBondContact O-N 3.22Å
192	A	90.4	Very high	86.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-38.1	-179.7	0	0	0	0	0	112.8	V112 Y188 R196 K197 M198	V112-A192 HydrophobicContact CG2-CB 4.13Å; Y188-A192 HydrophobicContact CE1-CB 4.41Å; Y188-A192 HydrophobicContact CE2-CB 4.45Å; Y188-A192 WeakPolarHBondContact O-CB 3.19Å; Y188-A192 PolarHBondContact O-N 3.46Å; A192-R196 PolarHBondContact O-N 3.15Å; A192-K197 PolarHBondContact O-N 3.38Å; A192-K197 VanDerWaalsContact O-N 3.09Å; A192-M198 HydrophobicContact CB-CE 3.93Å; A192-M198 HydrophobicContact CB-CG 4.5Å
193	Q	89	Confident	86.3	Confident	116 Å²	116	67.2 Å²	67.2	54%	0.542	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-42.1	173.1	-76.1	176.7	-12.4	0	0	111.7	K189 A191 R196	K189-Q193 VanDerWaalsContact O-CB 3.31Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 WeakPolarHBondContact O-CG 3.18Å; K189-Q193 PolarHBondContact O-N 3.28Å; A191-Q193 PolarHBondContact O-N 3.07Å; Q193-R196 PolarHBondContact O-N 2.96Å
194	F	89.4	Confident	85.8	Confident	75 Å²	75	68.2 Å²	68.2	33%	0.329	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-44	178	178.8	-98.3	0	0	0	112.2	R104 V105 Y108 R190 A191 R196	R104-F194 VanDerWaalsContact CZ-CE2 3.46Å; R104-F194 VanDerWaalsContact NE-CZ 3.27Å; V105-F194 HydrophobicContact CG2-CE1 4.28Å; Y108-F194 HydrophobicContact CD2-CB 4.18Å; Y108-F194 AromaticContact CD2-CD1 3.23Å; Y108-F194 HydrophobicContact CD2-CD1 3.23Å; Y108-F194 AromaticContact CD2-CE1 3.8Å; Y108-F194 HydrophobicContact CD2-CE1 3.8Å; Y108-F194 AromaticContact CD2-CG 3.74Å; Y108-F194 HydrophobicContact CD2-CG 3.74Å; Y108-F194 HydrophobicContact CE2-CB 4.28Å; Y108-F194 AromaticContact CE2-CD1 3.78Å; Y108-F194 HydrophobicContact CE2-CD1 3.78Å; Y108-F194 HydrophobicContact CE2-CD2 4.42Å; Y108-F194 HydrophobicContact CE2-CE1 4.3Å; Y108-F194 AromaticContact CE2-CG 3.85Å; Y108-F194 HydrophobicContact CE2-CG 3.85Å; Y108-F194 HydrophobicContact CG-CD1 4.08Å; R190-F194 WeakPolarHBondContact O-CB 3.29Å; R190-F194 PolarHBondContact O-N 3.1Å; R190-F194 VanDerWaalsContact O-N 3.14Å; A191-F194 WeakPolarHBondContact O-CB 3.5Å; A191-F194 PolarHBondContact O-N 2.73Å; F194-R196 PolarHBondContact O-N 2.94Å
195	L	90.1	Very high	85.3	Confident	46 Å²	46	73.3 Å²	73.3	24%	0.241	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.8	178	-64.1	174.5	0	0	0	114	V105 E109 V112 A191 K197	V105-L195 HydrophobicContact CG1-CD2 4.16Å; E109-L195 HydrophobicContact CB-CD1 4.39Å; E109-L195 HydrophobicContact CG-CD1 3.84Å; E109-L195 HydrophobicContact CG-CD2 3.89Å; V112-L195 HydrophobicContact CG2-CD1 4.06Å; A191-L195 WeakPolarHBondContact O-CG 3.39Å; A191-L195 PolarHBondContact O-N 3.22Å; L195-K197 PolarHBondContact O-N 3.14Å
196	R	84.8	Confident	84.9	Confident	222 Å²	222	77 Å²	77	84%	0.838	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	32	-177.4	-54.5	179.3	179.2	-179.6	-0.9	113.8	A192 Q193 F194	A192-R196 PolarHBondContact O-N 3.15Å; Q193-R196 PolarHBondContact O-N 2.96Å; F194-R196 PolarHBondContact O-N 2.94Å
197	K	77.3	Confident	84.6	Confident	113 Å²	113	74.8 Å²	74.8	49%	0.491	37%	0.369	S	S	.	.			trans	-75.8	-21.9	-178	-130.6	-174.7	174.9	-162.8	0	113.1	V112 E116 A192 L195	V112-K197 HydrophobicContact CG1-CD 3.82Å; V112-K197 VanDerWaalsContact CG1-NZ 3.33Å; E116-K197 IonicContact OE2-NZ 2.85Å; E116-K197 PolarHBondContact OE2-NZ 2.75Å; A192-K197 PolarHBondContact O-N 3.38Å; A192-K197 VanDerWaalsContact O-N 3.09Å; L195-K197 PolarHBondContact O-N 3.14Å
198	M	66.3	Low	84.4	Confident	38 Å²	38	78 Å²	78	19%	0.187	38%	0.382	C	S	.	.			trans	-94.3	93.7	177.2	-65.8	-172.5	-173.7	0	0	111	Y188 A192 I204	Y188-M198 HydrophobicContact CD1-CE 4.48Å; Y188-M198 HydrophobicContact CE1-CE 3.66Å; A192-M198 HydrophobicContact CB-CE 3.93Å; A192-M198 HydrophobicContact CB-CG 4.5Å; M198-I204 HydrophobicContact CB-CG1 4.3Å
199	S	58.5	Low	84.2	Confident	102 Å²	102	80.1 Å²	80.1	71%	0.713	39%	0.394	S	S	*	.			trans	-108.1	-19.4	-179.9	52	0	0	0	0	114.5
200	E	79.1	Confident	84.3	Confident	124 Å²	124	78.3 Å²	78.3	58%	0.579	39%	0.386	S	S	*	.	S	Bend	trans	-88.2	135.4	-178.7	-66	-159.7	166.3	0	0	113.1	S202 S203 I204	E200-S202 VanDerWaalsContact C-N 3.27Å; E200-S202 PolarHBondContact O-N 2.94Å; E200-S203 PolarHBondContact O-N 3.27Å; E200-I204 WeakPolarHBondContact O-CG1 3.34Å; E200-I204 PolarHBondContact O-N 3.27Å
201	P	81.4	Confident	84.3	Confident	108 Å²	108	72.1 Å²	72.1	70%	0.701	37%	0.367	S	S	*	.	H	α-helix	trans	-57.8	-34.5	179.5	-25.9	34.1	0	0	0	114.6	Q205	P201-Q205 PolarHBondContact O-N 3.48Å; P201-Q205 VanDerWaalsContact O-N 3.14Å
202	S	81.7	Confident	84.4	Confident	68 Å²	68	76.8 Å²	76.8	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-51.8	176.6	46.9	0	0	0	0	111.6	E200 I204 Q205 E206	E200-S202 VanDerWaalsContact C-N 3.27Å; E200-S202 PolarHBondContact O-N 2.94Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.33Å; S202-Q205 PolarHBondContact O-N 3.33Å; S202-E206 WeakPolarHBondContact O-CG 3.39Å; S202-E206 PolarHBondContact O-N 2.76Å
203	S	81.5	Confident	84.6	Confident	45 Å²	45	77.2 Å²	77.2	32%	0.315	39%	0.392	S	S	.	.	H	α-helix	trans	-62.6	-37.7	179.9	-176.5	0	0	0	0	112.5	E200 E206 S207	E200-S203 PolarHBondContact O-N 3.27Å; S203-E206 PolarHBondContact O-N 3.18Å; S203-S207 PolarHBondContact O-N 2.88Å
204	I	82.9	Confident	84.8	Confident	88 Å²	88	72.5 Å²	72.5	45%	0.451	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-44.7	175.6	-64.9	168.8	0	0	0	110.7	M198 E200 S202 S207 Q208	M198-I204 HydrophobicContact CB-CG1 4.3Å; E200-I204 WeakPolarHBondContact O-CG1 3.34Å; E200-I204 PolarHBondContact O-N 3.27Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.33Å; I204-S207 PolarHBondContact O-N 3.2Å; I204-Q208 WeakPolarHBondContact O-CB 3.41Å; I204-Q208 PolarHBondContact O-N 3.43Å
205	Q	85.8	Confident	84.9	Confident	109 Å²	109	71.5 Å²	71.5	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-41.3	178.4	-174.6	62.9	31	0	0	111.9	P201 S202 Q208 N209	P201-Q205 PolarHBondContact O-N 3.48Å; P201-Q205 VanDerWaalsContact O-N 3.14Å; S202-Q205 PolarHBondContact O-N 3.33Å; Q205-Q208 PolarHBondContact O-N 2.59Å; Q205-N209 PolarHBondContact NE2-OD1 3.25Å; Q205-N209 VanDerWaalsContact O-CG 3.27Å; Q205-N209 PolarHBondContact O-N 2.93Å; Q205-N209 PolarHBondContact O-ND2 3.22Å
206	E	86.8	Confident	84.9	Confident	79 Å²	79	72.3 Å²	72.3	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-48.5	175.5	-73.4	-172	154.7	0	0	111.7	M123 Y127 S202 S203 Q208 N209 L210	M123-E206 HydrophobicContact CE-CB 3.94Å; M123-E206 HydrophobicContact SD-CB 4.49Å; Y127-E206 WeakPolarHBondContact OH-CG 3.3Å; Y127-E206 PolarHBondContact OH-OE1 3.02Å; S202-E206 WeakPolarHBondContact O-CG 3.39Å; S202-E206 PolarHBondContact O-N 2.76Å; S203-E206 PolarHBondContact O-N 3.18Å; E206-Q208 PolarHBondContact O-N 2.75Å; E206-N209 PolarHBondContact O-N 2.98Å; E206-N209 VanDerWaalsContact O-N 3.15Å; E206-L210 PolarHBondContact O-N 3.04Å
207	S	87.7	Confident	85.2	Confident	4 Å²	4	66.9 Å²	66.9	3%	0.028	36%	0.364	C	S	.	.	H	α-helix	trans	-59.6	-36	176.7	-177.9	0	0	0	0	112	S203 I204 S211	S203-S207 PolarHBondContact O-N 2.88Å; I204-S207 PolarHBondContact O-N 3.2Å; S207-S211 PolarHBondContact O-N 3.14Å; S207-S211 PolarHBondContact O-OG 3.43Å
208	Q	88.8	Confident	85.9	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-42.9	175.9	-171.3	60.4	17.4	0	0	112.3	I204 Q205 E206 S211 M212	I204-Q208 WeakPolarHBondContact O-CB 3.41Å; I204-Q208 PolarHBondContact O-N 3.43Å; Q205-Q208 PolarHBondContact O-N 2.59Å; E206-Q208 PolarHBondContact O-N 2.75Å; Q208-S211 WeakPolarHBondContact O-CB 3.42Å; Q208-S211 PolarHBondContact O-N 3.39Å; Q208-M212 WeakPolarHBondContact O-CG 3.39Å; Q208-M212 PolarHBondContact O-N 2.88Å
209	N	92.2	Very high	87.2	Confident	66 Å²	66	64.8 Å²	64.8	35%	0.353	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-45.2	175.6	-69.2	-24.3	0	0	0	111.6	M126 Q205 E206 S211 M212 F213	M126-N209 HydrophobicContact CE-CB 4.3Å; M126-N209 HydrophobicContact SD-CB 4.14Å; Q205-N209 PolarHBondContact NE2-OD1 3.25Å; Q205-N209 VanDerWaalsContact O-CG 3.27Å; Q205-N209 PolarHBondContact O-N 2.93Å; Q205-N209 PolarHBondContact O-ND2 3.22Å; E206-N209 PolarHBondContact O-N 2.98Å; E206-N209 VanDerWaalsContact O-N 3.15Å; N209-S211 VanDerWaalsContact C-N 3.33Å; N209-S211 PolarHBondContact O-N 3.44Å; N209-M212 PolarHBondContact O-N 3.39Å; N209-F213 WeakPolarHBondContact O-CB 3.43Å; N209-F213 PolarHBondContact O-N 3.23Å
210	L	93.1	Very high	89	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-41	177.3	-177.8	60.7	0	0	0	111.7	V119 L122 M123 M126 E206 M212 F213 L214	V119-L210 HydrophobicContact CG1-CD2 4.08Å; L122-L210 HydrophobicContact CB-CD1 4.18Å; L122-L210 HydrophobicContact CB-CD2 4.08Å; M123-L210 HydrophobicContact CE-CB 3.93Å; M123-L210 HydrophobicContact CE-CD2 3.78Å; M123-L210 HydrophobicContact CE-CG 4.49Å; M123-L210 HydrophobicContact CG-CD2 4.08Å; M123-L210 HydrophobicContact SD-CB 3.78Å; M123-L210 HydrophobicContact SD-CD2 3.67Å; M123-L210 HydrophobicContact SD-CG 4.19Å; M126-L210 HydrophobicContact CB-CD1 4.21Å; M126-L210 HydrophobicContact SD-CB 4.16Å; M126-L210 HydrophobicContact SD-CD1 4.24Å; E206-L210 PolarHBondContact O-N 3.04Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 3.04Å; L210-F213 HydrophobicContact CD1-CD1 4.23Å; L210-F213 PolarHBondContact O-N 3.41Å; L210-L214 HydrophobicContact CD1-CD1 3.99Å; L210-L214 HydrophobicContact CD1-CD2 4.46Å; L210-L214 HydrophobicContact CD1-CG 3.96Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.34Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å
211	S	92.4	Very high	89.8	Confident	25 Å²	25	54.5 Å²	54.5	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-46.4	174.7	-55.4	0	0	0	0	111.5	H185 K189 S207 Q208 N209 A215	H185-S211 PolarHBondContact CE1-OG 3.14Å; K189-S211 PolarHBondContact NZ-OG 3.33Å; S207-S211 PolarHBondContact O-N 3.14Å; S207-S211 PolarHBondContact O-OG 3.43Å; Q208-S211 WeakPolarHBondContact O-CB 3.42Å; Q208-S211 PolarHBondContact O-N 3.39Å; N209-S211 VanDerWaalsContact C-N 3.33Å; N209-S211 PolarHBondContact O-N 3.44Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.95Å
212	M	92.8	Very high	90.3	Very high	98 Å²	98	53 Å²	53	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-39.9	178.6	-69.3	-59.8	-64.2	0	0	111.9	Q208 N209 L210 A215 N216	Q208-M212 WeakPolarHBondContact O-CG 3.39Å; Q208-M212 PolarHBondContact O-N 2.88Å; N209-M212 PolarHBondContact O-N 3.39Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 3.04Å; M212-A215 PolarHBondContact O-N 3.18Å; M212-N216 PolarHBondContact O-N 3.49Å; M212-N216 PolarHBondContact O-ND2 3.25Å
213	F	94.7	Very high	90.9	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.044	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-48.5	177.5	173.4	-110.7	0	0	0	112.1	F125 M126 Q129 K175 N209 L210 A215 K219 I220	F125-F213 AromaticContact CD1-CE1 3.79Å; F125-F213 HydrophobicContact CD1-CE1 3.79Å; F125-F213 HydrophobicContact CD1-CZ 4.21Å; F125-F213 AromaticContact CE1-CE1 3.55Å; F125-F213 HydrophobicContact CE1-CE1 3.55Å; F125-F213 AromaticContact CE1-CZ 3.64Å; F125-F213 HydrophobicContact CE1-CZ 3.64Å; F125-F213 HydrophobicContact CZ-CE1 4.47Å; F125-F213 HydrophobicContact CZ-CZ 4.14Å; M126-F213 HydrophobicContact CB-CD1 4.09Å; M126-F213 HydrophobicContact CB-CE1 4.29Å; M126-F213 HydrophobicContact CG-CB 4.23Å; M126-F213 HydrophobicContact CG-CD1 4.07Å; M126-F213 HydrophobicContact CG-CG 4.02Å; M126-F213 HydrophobicContact SD-CB 4.09Å; Q129-F213 HydrophobicContact CG-CE2 4Å; Q129-F213 HydrophobicContact CG-CZ 3.9Å; K175-F213 HydrophobicContact CD-CE1 3.93Å; K175-F213 HydrophobicContact CD-CE2 4.09Å; K175-F213 HydrophobicContact CD-CZ 3.59Å; K175-F213 WeakPolarHBondContact CE-O 3.36Å; K175-F213 PolarHBondContact NZ-O 3.12Å; N209-F213 WeakPolarHBondContact O-CB 3.43Å; N209-F213 PolarHBondContact O-N 3.23Å; L210-F213 HydrophobicContact CD1-CD1 4.23Å; L210-F213 PolarHBondContact O-N 3.41Å; F213-A215 VanDerWaalsContact C-N 3.34Å; F213-A215 PolarHBondContact O-N 3.01Å; F213-K219 HydrophobicContact CD2-CB 4.4Å; F213-K219 HydrophobicContact CD2-CG 3.8Å; F213-K219 HydrophobicContact CE2-CG 4.21Å; F213-I220 HydrophobicContact CE2-CG1 4.08Å; F213-I220 HydrophobicContact CZ-CD1 4.33Å; F213-I220 HydrophobicContact CZ-CG1 4.29Å
214	L	93.5	Very high	91.6	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.084	25%	0.25	C	C	.	.	H	α-helix	trans	-70.9	-28.1	-180	-63.5	178.2	0	0	0	112.9	L122 V181 H185 L210	L122-L214 HydrophobicContact CD1-CD1 4.33Å; V181-L214 HydrophobicContact CG1-CD1 4.26Å; V181-L214 HydrophobicContact CG1-CD2 3.77Å; H185-L214 HydrophobicContact CB-CD1 3.8Å; L210-L214 HydrophobicContact CD1-CD1 3.99Å; L210-L214 HydrophobicContact CD1-CD2 4.46Å; L210-L214 HydrophobicContact CD1-CG 3.96Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.34Å; L210-L214 WeakPolarHBondContact O-CG 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å
215	A	90.8	Very high	92.1	Very high	54 Å²	54	46.3 Å²	46.3	45%	0.446	24%	0.238	S	C	.	.	H	α-helix	trans	-76	-31.3	179.1	0	0	0	0	0	113.7	S211 M212 F213	S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.95Å; M212-A215 PolarHBondContact O-N 3.18Å; F213-A215 VanDerWaalsContact C-N 3.34Å; F213-A215 PolarHBondContact O-N 3.01Å
216	N	91.2	Very high	92.4	Very high	63 Å²	63	47 Å²	47	34%	0.337	24%	0.24	S	C	.	.	S	Bend	trans	-83.8	123.7	-176.8	-72.6	-52.1	0	0	0	111.5	K175 M212 K219	K175-N216 PolarHBondContact NZ-O 3.08Å; M212-N216 PolarHBondContact O-N 3.49Å; M212-N216 PolarHBondContact O-ND2 3.25Å; N216-K219 HydrophobicContact CB-CB 4.01Å; N216-K219 HydrophobicContact CB-CD 4.18Å; N216-K219 HydrophobicContact CB-CG 4.28Å
217	H	90.4	Very high	92.8	Very high	109 Å²	109	45.9 Å²	45.9	51%	0.505	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	146	174.1	-160.3	78.9	0	0	0	110.7	N176 K219 Q222	N176-H217 VanDerWaalsContact CB-CE1 3.43Å; N176-H217 WeakPolarHBondContact CB-CE1 3.48Å; N176-H217 PolarHBondContact OD1-ND1 3Å; H217-K219 PolarHBondContact O-N 2.91Å; H217-Q222 PolarHBondContact O-NE2 2.92Å
218	N	92.3	Very high	93.2	Very high	47 Å²	47	45.8 Å²	45.8	25%	0.251	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.9	-176.6	-62	-27.6	0	0	0	114.5	D172 N176 I220 T221 Q222	D172-N218 WeakPolarHBondContact OD2-CA 3.5Å; N176-N218 PolarHBondContact ND2-OD1 3.47Å; N176-N218 PolarHBondContact OD1-N 3.4Å; N218-I220 PolarHBondContact O-N 3.07Å; N218-T221 PolarHBondContact O-N 3.42Å; N218-Q222 HydrophobicContact CB-CG 4.49Å; N218-Q222 WeakPolarHBondContact O-CB 3.49Å; N218-Q222 WeakPolarHBondContact O-CG 3.13Å; N218-Q222 PolarHBondContact O-N 2.89Å
219	K	94.2	Very high	93.4	Very high	60 Å²	60	44.3 Å²	44.3	26%	0.261	23%	0.228	S	C	.	.	H	α-helix	trans	-68.1	-36.4	-170	-179.4	55.7	-173.9	161.7	0	112.2	D172 F213 N216 H217 S223	D172-K219 PolarHBondContact OD1-N 3.47Å; F213-K219 HydrophobicContact CD2-CB 4.4Å; F213-K219 HydrophobicContact CD2-CG 3.8Å; F213-K219 HydrophobicContact CE2-CG 4.21Å; N216-K219 HydrophobicContact CB-CB 4.01Å; N216-K219 HydrophobicContact CB-CD 4.18Å; N216-K219 HydrophobicContact CB-CG 4.28Å; H217-K219 PolarHBondContact O-N 2.91Å; K219-S223 WeakPolarHBondContact CE-OG 3.48Å; K219-S223 PolarHBondContact NZ-OG 3.47Å; K219-S223 WeakPolarHBondContact O-CB 3.09Å; K219-S223 PolarHBondContact O-N 3.25Å; K219-S223 VanDerWaalsContact O-N 3.13Å; K219-S223 PolarHBondContact O-OG 2.89Å
220	I	96	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-49	179.1	-64.1	166.7	0	0	0	108.6	F125 Q129 I133 F168 L171 D172 K175 F213 N218 Q222 S223 L224	F125-I220 HydrophobicContact CZ-CD1 3.87Å; Q129-I220 HydrophobicContact CB-CD1 4.33Å; Q129-I220 HydrophobicContact CB-CG1 4.38Å; Q129-I220 HydrophobicContact CG-CD1 4.47Å; Q129-I220 HydrophobicContact CG-CG1 4.28Å; I133-I220 HydrophobicContact CD1-CG2 4.07Å; F168-I220 HydrophobicContact CB-CG2 4.03Å; F168-I220 HydrophobicContact CD1-CG2 3.91Å; F168-I220 HydrophobicContact CG-CG2 4.34Å; L171-I220 HydrophobicContact CB-CD1 3.95Å; D172-I220 HydrophobicContact CB-CB 3.89Å; D172-I220 HydrophobicContact CB-CD1 4.26Å; D172-I220 WeakPolarHBondContact OD1-CB 3.19Å; D172-I220 PolarHBondContact OD1-N 3.48Å; K175-I220 HydrophobicContact CD-CD1 4.41Å; F213-I220 HydrophobicContact CE2-CG1 4.08Å; F213-I220 HydrophobicContact CZ-CD1 4.33Å; F213-I220 HydrophobicContact CZ-CG1 4.29Å; N218-I220 PolarHBondContact O-N 3.07Å; I220-Q222 PolarHBondContact O-N 3.34Å; I220-S223 PolarHBondContact O-N 2.82Å; I220-L224 WeakPolarHBondContact O-CB 3.22Å; I220-L224 PolarHBondContact O-N 3.12Å
221	T	94.5	Very high	93.5	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-46.8	178.9	-60.4	0	0	0	0	112.4	D172 N218 S223 L224 Q225 F269 Y272	D172-T221 WeakPolarHBondContact OD2-CB 3.23Å; D172-T221 PolarHBondContact OD2-N 3.13Å; D172-T221 PolarHBondContact OD2-OG1 3.26Å; N218-T221 PolarHBondContact O-N 3.42Å; T221-S223 VanDerWaalsContact C-N 3.33Å; T221-S223 PolarHBondContact O-N 3.16Å; T221-L224 PolarHBondContact O-N 3.11Å; T221-Q225 WeakPolarHBondContact O-CG 3.5Å; T221-Q225 PolarHBondContact O-N 3.13Å; T221-F269 HydrophobicContact CG2-CE2 3.86Å; T221-F269 HydrophobicContact CG2-CZ 3.81Å; T221-Y272 HydrophobicContact CG2-CE1 3.75Å
222	Q	92.7	Very high	93.4	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-61.9	-41.3	178	-73.6	168	13.7	0	0	112.1	H217 N218 I220 L224 Q225 Q226	H217-Q222 PolarHBondContact O-NE2 2.92Å; N218-Q222 HydrophobicContact CB-CG 4.49Å; N218-Q222 WeakPolarHBondContact O-CB 3.49Å; N218-Q222 WeakPolarHBondContact O-CG 3.13Å; N218-Q222 PolarHBondContact O-N 2.89Å; I220-Q222 PolarHBondContact O-N 3.34Å; Q222-L224 VanDerWaalsContact C-N 3.34Å; Q222-Q225 PolarHBondContact O-N 3.35Å; Q222-Q226 WeakPolarHBondContact O-CB 3.32Å; Q222-Q226 VanDerWaalsContact O-CG 3.27Å; Q222-Q226 WeakPolarHBondContact O-CG 3.32Å; Q222-Q226 PolarHBondContact O-N 3.04Å
223	S	94.8	Very high	93.2	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-37.6	179.8	-54	0	0	0	0	111	K219 I220 T221 Q227	K219-S223 WeakPolarHBondContact CE-OG 3.48Å; K219-S223 PolarHBondContact NZ-OG 3.47Å; K219-S223 WeakPolarHBondContact O-CB 3.09Å; K219-S223 PolarHBondContact O-N 3.25Å; K219-S223 VanDerWaalsContact O-N 3.13Å; K219-S223 PolarHBondContact O-OG 2.89Å; I220-S223 PolarHBondContact O-N 2.82Å; T221-S223 VanDerWaalsContact C-N 3.33Å; T221-S223 PolarHBondContact O-N 3.16Å; S223-Q227 WeakPolarHBondContact O-CG 3.27Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 VanDerWaalsContact O-N 3.17Å
224	L	95.9	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-48.9	173.7	-179.4	63.4	0	0	0	111.6	I133 F136 F168 I220 T221 Q222 Q226 Q227 L228 F269 L273	I133-L224 HydrophobicContact CG2-CD1 4.21Å; F136-L224 HydrophobicContact CD1-CD1 3.82Å; F136-L224 HydrophobicContact CE1-CD1 4.08Å; F168-L224 HydrophobicContact CB-CD2 4.18Å; F168-L224 HydrophobicContact CD2-CD1 4.3Å; F168-L224 HydrophobicContact CD2-CD2 3.66Å; F168-L224 HydrophobicContact CE2-CD1 4.2Å; F168-L224 HydrophobicContact CE2-CD2 4.37Å; F168-L224 HydrophobicContact CG-CD2 4.13Å; I220-L224 WeakPolarHBondContact O-CB 3.22Å; I220-L224 PolarHBondContact O-N 3.12Å; T221-L224 PolarHBondContact O-N 3.11Å; Q222-L224 VanDerWaalsContact C-N 3.34Å; L224-Q226 PolarHBondContact O-N 3.01Å; L224-Q227 PolarHBondContact O-N 2.78Å; L224-L228 HydrophobicContact CD1-CD1 3.87Å; L224-L228 HydrophobicContact CD1-CG 4.11Å; L224-L228 HydrophobicContact CG-CD1 3.8Å; L224-L228 HydrophobicContact CG-CG 4.41Å; L224-L228 WeakPolarHBondContact O-CB 3.17Å; L224-L228 VanDerWaalsContact O-CG 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.07Å; L224-L228 PolarHBondContact O-N 3.02Å; L224-F269 HydrophobicContact CD2-CE1 4.49Å; L224-L273 HydrophobicContact CD2-CD1 3.82Å; L224-L273 HydrophobicContact CD2-CD2 4.23Å
225	Q	93.8	Very high	93.1	Very high	42 Å²	42	48.7 Å²	48.7	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-49.4	177	-76.1	175.6	-35.8	0	0	111.7	T221 Q222 Q227 L228 E229 Y272 L273	T221-Q225 WeakPolarHBondContact O-CG 3.5Å; T221-Q225 PolarHBondContact O-N 3.13Å; Q222-Q225 PolarHBondContact O-N 3.35Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q225-Q227 PolarHBondContact O-N 3.18Å; Q225-L228 PolarHBondContact O-N 3.04Å; Q225-E229 WeakPolarHBondContact O-CG 3.22Å; Q225-E229 PolarHBondContact O-N 2.96Å; Q225-Y272 VanDerWaalsContact NE2-CE1 3.26Å; Q225-L273 HydrophobicContact CG-CD2 3.58Å
226	Q	92.7	Very high	93.2	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-57.8	-41.1	179.5	-74.6	173.4	1.3	0	0	112.7	Q222 L224 V230	Q222-Q226 WeakPolarHBondContact O-CB 3.32Å; Q222-Q226 VanDerWaalsContact O-CG 3.27Å; Q222-Q226 WeakPolarHBondContact O-CG 3.32Å; Q222-Q226 PolarHBondContact O-N 3.04Å; L224-Q226 PolarHBondContact O-N 3.01Å; Q226-V230 VanDerWaalsContact O-CG2 3.26Å; Q226-V230 WeakPolarHBondContact O-CG2 3.45Å
227	Q	95.1	Very high	93.2	Very high	57 Å²	57	46.2 Å²	46.2	27%	0.266	23%	0.232	S	C	.	.	H	α-helix	trans	-75.9	-31.6	179.1	-70.4	-162.2	27.3	0	0	113.4	I133 D134 C137 S223 L224 Q225	I133-Q227 HydrophobicContact CG2-CG 4.41Å; D134-Q227 PolarHBondContact OD1-NE2 3.02Å; D134-Q227 PolarHBondContact OD1-OE1 2.86Å; C137-Q227 HydrophobicContact CB-CB 4.28Å; S223-Q227 WeakPolarHBondContact O-CG 3.27Å; S223-Q227 PolarHBondContact O-N 3.47Å; S223-Q227 VanDerWaalsContact O-N 3.17Å; L224-Q227 PolarHBondContact O-N 2.78Å; Q225-Q227 VanDerWaalsContact C-N 3.3Å; Q225-Q227 PolarHBondContact O-N 3.18Å
228	L	94.9	Very high	93.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-73	-45.5	177.7	-74.5	175	0	0	0	112.3	F136 V140 L224 Q225 V230 I231 Y234 L273	F136-L228 HydrophobicContact CE1-CD1 4.5Å; F136-L228 HydrophobicContact CE1-CD2 4.16Å; V140-L228 HydrophobicContact CB-CD2 4.26Å; V140-L228 HydrophobicContact CG1-CD2 3.97Å; V140-L228 HydrophobicContact CG2-CD2 4.08Å; L224-L228 HydrophobicContact CD1-CD1 3.87Å; L224-L228 HydrophobicContact CD1-CG 4.11Å; L224-L228 HydrophobicContact CG-CD1 3.8Å; L224-L228 HydrophobicContact CG-CG 4.41Å; L224-L228 WeakPolarHBondContact O-CB 3.17Å; L224-L228 VanDerWaalsContact O-CG 3.29Å; L224-L228 WeakPolarHBondContact O-CG 3.07Å; L224-L228 PolarHBondContact O-N 3.02Å; Q225-L228 PolarHBondContact O-N 3.04Å; L228-V230 PolarHBondContact O-N 2.66Å; L228-V230 VanDerWaalsContact O-N 3.13Å; L228-I231 WeakPolarHBondContact O-CB 3.38Å; L228-I231 PolarHBondContact O-N 2.95Å; L228-Y234 HydrophobicContact CB-CD2 3.83Å; L228-Y234 HydrophobicContact CB-CE2 4.14Å; L228-Y234 HydrophobicContact CB-CG 4.21Å; L228-Y234 HydrophobicContact CD2-CD2 4.44Å; L228-Y234 HydrophobicContact CG-CD2 4.5Å; L228-Y234 VanDerWaalsContact O-CD1 3.27Å; L228-Y234 WeakPolarHBondContact O-CD1 3.41Å; L228-L273 HydrophobicContact CD1-CD1 4.33Å
229	E	93	Very high	93.5	Very high	56 Å²	56	38.9 Å²	38.9	26%	0.262	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-23	-178.4	-70.2	-171	155.7	0	0	112.9	Q225 I231 Y234 G276 N277 S278	Q225-E229 WeakPolarHBondContact O-CG 3.22Å; Q225-E229 PolarHBondContact O-N 2.96Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 3.3Å; E229-Y234 HydrophobicContact CG-CE1 4.44Å; E229-G276 WeakPolarHBondContact OE1-CA 3.47Å; E229-N277 PolarHBondContact OE1-N 3.41Å; E229-S278 WeakPolarHBondContact CG-OG 3.37Å
230	V	93.8	Very high	93.5	Very high	116 Å²	116	38 Å²	38	70%	0.703	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.9	173.9	174.6	0	0	0	0	112.2	Q226 L228	Q226-V230 VanDerWaalsContact O-CG2 3.26Å; Q226-V230 WeakPolarHBondContact O-CG2 3.45Å; L228-V230 PolarHBondContact O-N 2.66Å; L228-V230 VanDerWaalsContact O-N 3.13Å
231	I	93.6	Very high	93.5	Very high	10 Å²	10	38 Å²	38	5%	0.051	20%	0.195	C	C	.	.	S	Bend	trans	-90	114.2	-177.9	-59.9	165.7	0	0	0	109.4	C137 V140 R141 C144 L228 E229 G233 Y234	C137-I231 HydrophobicContact CB-CD1 4.25Å; C137-I231 VanDerWaalsContact O-CD1 3.32Å; C137-I231 WeakPolarHBondContact O-CD1 3.37Å; V140-I231 HydrophobicContact CB-CD1 4.32Å; V140-I231 HydrophobicContact CG1-CD1 4.16Å; V140-I231 HydrophobicContact CG1-CG2 4.44Å; R141-I231 HydrophobicContact CB-CD1 3.96Å; R141-I231 HydrophobicContact CB-CG1 4.24Å; R141-I231 HydrophobicContact CB-CG2 4.32Å; C144-I231 HydrophobicContact CB-CG2 4.18Å; L228-I231 WeakPolarHBondContact O-CB 3.38Å; L228-I231 PolarHBondContact O-N 2.95Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 3.3Å; I231-G233 PolarHBondContact O-N 2.94Å; I231-G233 VanDerWaalsContact O-N 3.13Å; I231-Y234 WeakPolarHBondContact O-CD1 3.39Å; I231-Y234 PolarHBondContact O-N 3.16Å
232	N	90.2	Very high	93.6	Very high	143 Å²	143	37.7 Å²	37.7	77%	0.765	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	116.3	179.4	-172.7	1.9	0	0	0	112.1	R149	R149-N232 PolarHBondContact NH2-O 3.08Å
233	G	88.6	Confident	93.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	26.6	179.3	0	0	0	0	0	115	C144 I231 E235 E236	C144-G233 PolarHBondContact SG-O 3.39Å; I231-G233 PolarHBondContact O-N 2.94Å; I231-G233 VanDerWaalsContact O-N 3.13Å; G233-E235 WeakPolarHBondContact CA-OE1 3.37Å; G233-E235 WeakPolarHBondContact CA-OE2 3.39Å; G233-E235 PolarHBondContact O-N 3.02Å; G233-E236 PolarHBondContact O-N 3.37Å
234	Y	94.3	Very high	93.7	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-34.7	170.6	78.3	-81.2	0	0	0	111.8	L228 E229 I231 E236 L237 L238 L273 S278	L228-Y234 HydrophobicContact CB-CD2 3.83Å; L228-Y234 HydrophobicContact CB-CE2 4.14Å; L228-Y234 HydrophobicContact CB-CG 4.21Å; L228-Y234 HydrophobicContact CD2-CD2 4.44Å; L228-Y234 HydrophobicContact CG-CD2 4.5Å; L228-Y234 VanDerWaalsContact O-CD1 3.27Å; L228-Y234 WeakPolarHBondContact O-CD1 3.41Å; E229-Y234 HydrophobicContact CG-CE1 4.44Å; I231-Y234 WeakPolarHBondContact O-CD1 3.39Å; I231-Y234 PolarHBondContact O-N 3.16Å; Y234-E236 PolarHBondContact O-N 3.12Å; Y234-L237 PolarHBondContact O-N 3.44Å; Y234-L237 VanDerWaalsContact O-N 3.11Å; Y234-L238 HydrophobicContact CD2-CD1 3.73Å; Y234-L238 HydrophobicContact CD2-CG 4.35Å; Y234-L238 HydrophobicContact CE2-CD1 3.88Å; Y234-L238 PolarHBondContact O-N 3.31Å; Y234-L238 VanDerWaalsContact O-N 3.12Å; Y234-L273 WeakPolarHBondContact CE2-O 3.39Å; Y234-L273 PolarHBondContact OH-O 3.36Å; Y234-S278 WeakPolarHBondContact CE1-OG 3.31Å
235	E	92.8	Very high	93.7	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-27.5	-179.6	72.8	-74.2	175.7	0	0	112.4	G233 A239 S279 L284	G233-E235 WeakPolarHBondContact CA-OE1 3.37Å; G233-E235 WeakPolarHBondContact CA-OE2 3.39Å; G233-E235 PolarHBondContact O-N 3.02Å; E235-A239 WeakPolarHBondContact O-CB 3.42Å; E235-A239 PolarHBondContact O-N 2.71Å; E235-S279 WeakPolarHBondContact CB-OG 3.16Å; E235-L284 HydrophobicContact CG-CD1 4.41Å
236	E	91.8	Very high	93.8	Very high	55 Å²	55	35 Å²	35	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-69.7	-37.8	175.7	-70.9	-67	164	0	0	111.8	G233 Y234 D240 R289	G233-E236 PolarHBondContact O-N 3.37Å; Y234-E236 PolarHBondContact O-N 3.12Å; E236-D240 PolarHBondContact O-N 3.22Å; E236-R289 PolarHBondContact O-NH2 3.22Å; E236-R289 IonicContact OE2-CZ 3.71Å; E236-R289 IonicContact OE2-NE 2.86Å; E236-R289 PolarHBondContact OE2-NE 3.01Å; E236-R289 IonicContact OE2-NH2 3.6Å; E236-R289 PolarHBondContact OE2-NH2 3.39Å
237	L	92.9	Very high	93.9	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.058	17%	0.17	C	C	.	.	H	α-helix	trans	-72.3	-43	175.7	178.7	64.7	0	0	0	110.8	V140 L143 L158 L161 Y234 A239 D240 I241	V140-L237 HydrophobicContact CB-CD2 4.18Å; V140-L237 HydrophobicContact CG1-CD2 4.08Å; V140-L237 HydrophobicContact CG2-CD2 3.99Å; L143-L237 HydrophobicContact CB-CD1 4.49Å; L143-L237 HydrophobicContact CB-CD2 4.03Å; L143-L237 HydrophobicContact CD1-CD1 4.2Å; L143-L237 HydrophobicContact CD1-CD2 3.92Å; L158-L237 HydrophobicContact CD2-CD1 3.76Å; L161-L237 HydrophobicContact CD1-CD2 4.4Å; Y234-L237 PolarHBondContact O-N 3.44Å; Y234-L237 VanDerWaalsContact O-N 3.11Å; L237-A239 VanDerWaalsContact C-N 3.26Å; L237-A239 PolarHBondContact O-N 3.43Å; L237-D240 WeakPolarHBondContact O-CB 3.4Å; L237-D240 PolarHBondContact O-N 3.07Å; L237-I241 WeakPolarHBondContact O-CG1 3.29Å; L237-I241 PolarHBondContact O-N 2.82Å; L237-I241 VanDerWaalsContact O-N 3.09Å
238	L	94.6	Very high	93.9	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-38.1	175.5	-64.8	-174	0	0	0	111.6	I165 Y234 D240 I241 V242 L273 M274	I165-L238 HydrophobicContact CD1-CD2 3.54Å; Y234-L238 HydrophobicContact CD2-CD1 3.73Å; Y234-L238 HydrophobicContact CD2-CG 4.35Å; Y234-L238 HydrophobicContact CE2-CD1 3.88Å; Y234-L238 PolarHBondContact O-N 3.31Å; Y234-L238 VanDerWaalsContact O-N 3.12Å; L238-D240 VanDerWaalsContact C-N 3.3Å; L238-D240 PolarHBondContact O-N 2.93Å; L238-I241 HydrophobicContact CD2-CD1 4.24Å; L238-I241 PolarHBondContact O-N 3.05Å; L238-V242 WeakPolarHBondContact O-CG2 3.46Å; L238-V242 PolarHBondContact O-N 3.32Å; L238-L273 HydrophobicContact CD1-CB 3.96Å; L238-M274 HydrophobicContact CB-CG 3.52Å; L238-M274 HydrophobicContact CB-SD 3.68Å; L238-M274 HydrophobicContact CD1-CG 3.78Å; L238-M274 HydrophobicContact CG-CG 4.31Å
239	A	94.4	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-31.8	174.3	0	0	0	0	0	112.9	E235 L237 N243 M274 R289 I290	E235-A239 WeakPolarHBondContact O-CB 3.42Å; E235-A239 PolarHBondContact O-N 2.71Å; L237-A239 VanDerWaalsContact C-N 3.26Å; L237-A239 PolarHBondContact O-N 3.43Å; A239-N243 VanDerWaalsContact O-CB 3.27Å; A239-N243 WeakPolarHBondContact O-CB 3.41Å; A239-N243 PolarHBondContact O-N 2.81Å; A239-N243 PolarHBondContact O-ND2 2.86Å; A239-M274 HydrophobicContact CB-CE 3.63Å; A239-M274 HydrophobicContact CB-SD 4.39Å; A239-R289 HydrophobicContact CB-CG 4.21Å; A239-I290 HydrophobicContact CB-CG2 3.75Å
240	D	93	Very high	94.1	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.214	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-43.9	171.6	-74.8	-22.1	0	0	0	111.7	L158 E236 L237 L238 N243 L244 R289 K573	L158-D240 HydrophobicContact CD1-CB 4.3Å; L158-D240 HydrophobicContact CD2-CB 4.49Å; E236-D240 PolarHBondContact O-N 3.22Å; L237-D240 WeakPolarHBondContact O-CB 3.4Å; L237-D240 PolarHBondContact O-N 3.07Å; L238-D240 VanDerWaalsContact C-N 3.3Å; L238-D240 PolarHBondContact O-N 2.93Å; D240-N243 PolarHBondContact O-N 2.9Å; D240-L244 WeakPolarHBondContact O-CB 3.39Å; D240-L244 PolarHBondContact O-N 3.15Å; D240-R289 VanDerWaalsContact CG-NH2 3.29Å; D240-R289 IonicContact OD1-CZ 2.67Å; D240-R289 IonicContact OD1-NH1 3.51Å; D240-R289 IonicContact OD1-NH2 3.71Å; D240-R289 PolarHBondContact OD1-NH2 2.76Å; D240-R289 IonicContact OD2-NH2 3.94Å; D240-K573 IonicContact OD1-NZ 2.71Å; D240-K573 PolarHBondContact OD1-NZ 2.8Å; D240-K573 IonicContact OD2-NZ 3.18Å; D240-K573 PolarHBondContact OD2-NZ 3.32Å
241	I	95.7	Very high	94.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-49.1	176.7	-61.8	171.1	0	0	0	110.4	L158 L161 I165 L237 L238 N243 L244 C245 V266	L158-I241 HydrophobicContact CB-CG1 4.3Å; L158-I241 HydrophobicContact CD2-CG1 3.96Å; L161-I241 HydrophobicContact CB-CD1 3.67Å; L161-I241 HydrophobicContact CD1-CD1 4.46Å; I165-I241 HydrophobicContact CD1-CD1 4.09Å; L237-I241 WeakPolarHBondContact O-CG1 3.29Å; L237-I241 PolarHBondContact O-N 2.82Å; L237-I241 VanDerWaalsContact O-N 3.09Å; L238-I241 HydrophobicContact CD2-CD1 4.24Å; L238-I241 PolarHBondContact O-N 3.05Å; I241-N243 PolarHBondContact O-N 2.88Å; I241-L244 WeakPolarHBondContact O-CB 3.4Å; I241-L244 PolarHBondContact O-N 2.88Å; I241-C245 PolarHBondContact O-N 3.1Å; I241-C245 PolarHBondContact O-SG 3.35Å; I241-C245 VanDerWaalsContact O-SG 3.39Å; I241-V266 HydrophobicContact CG2-CG1 3.68Å
242	V	96.6	Very high	94.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-44.7	-179.9	171.1	0	0	0	0	111.2	L238 L244 C245 V246 L271 M274 I295	L238-V242 WeakPolarHBondContact O-CG2 3.46Å; L238-V242 PolarHBondContact O-N 3.32Å; V242-L244 VanDerWaalsContact C-N 3.32Å; V242-L244 PolarHBondContact O-N 3.3Å; V242-C245 PolarHBondContact O-N 3.01Å; V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.22Å; V242-V246 PolarHBondContact O-N 3.04Å; V242-L271 HydrophobicContact CG1-CD2 4.47Å; V242-M274 HydrophobicContact CG2-SD 4.21Å; V242-I295 HydrophobicContact CG1-CD1 3.7Å
243	N	95.2	Very high	94.3	Very high	51 Å²	51	29.9 Å²	29.9	27%	0.273	15%	0.146	S	C	.	.	H	α-helix	trans	-63.8	-38	178.4	-75.8	-15.3	0	0	0	112.3	A239 D240 I241 V246 D247 R289	A239-N243 VanDerWaalsContact O-CB 3.27Å; A239-N243 WeakPolarHBondContact O-CB 3.41Å; A239-N243 PolarHBondContact O-N 2.81Å; A239-N243 PolarHBondContact O-ND2 2.86Å; D240-N243 PolarHBondContact O-N 2.9Å; I241-N243 PolarHBondContact O-N 2.88Å; N243-V246 PolarHBondContact O-N 3.48Å; N243-D247 PolarHBondContact O-N 3.14Å; N243-R289 PolarHBondContact ND2-NH1 2.88Å; N243-R289 PolarHBondContact ND2-O 3.33Å
244	L	94.6	Very high	94.7	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.094	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-46.2	174.1	-178.7	63.6	0	0	0	111.1	E155 L158 D240 I241 V242 V246 D247 Y248	E155-L244 HydrophobicContact CB-CD1 4.1Å; E155-L244 HydrophobicContact CB-CD2 3.95Å; E155-L244 HydrophobicContact CG-CD1 3.64Å; E155-L244 HydrophobicContact CG-CD2 4.26Å; E155-L244 VanDerWaalsContact O-CD2 3.29Å; E155-L244 WeakPolarHBondContact O-CD2 3.42Å; L158-L244 HydrophobicContact CB-CD2 3.7Å; L158-L244 HydrophobicContact CD1-CD2 4.27Å; D240-L244 WeakPolarHBondContact O-CB 3.39Å; D240-L244 PolarHBondContact O-N 3.15Å; I241-L244 WeakPolarHBondContact O-CB 3.4Å; I241-L244 PolarHBondContact O-N 2.88Å; V242-L244 VanDerWaalsContact C-N 3.32Å; V242-L244 PolarHBondContact O-N 3.3Å; L244-V246 VanDerWaalsContact C-N 3.29Å; L244-V246 PolarHBondContact O-N 2.97Å; L244-D247 PolarHBondContact O-N 3.09Å; L244-Y248 HydrophobicContact CD1-CD1 3.65Å; L244-Y248 HydrophobicContact CD1-CE1 3.28Å; L244-Y248 HydrophobicContact CG-CD1 4.18Å; L244-Y248 HydrophobicContact CG-CE1 4.07Å; L244-Y248 WeakPolarHBondContact O-CB 3.26Å; L244-Y248 WeakPolarHBondContact O-CD1 3.4Å; L244-Y248 PolarHBondContact O-N 3.18Å
245	C	96.6	Very high	94.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-40	176.7	-66.7	0	0	0	0	111.8	I241 V242 Y248 Y249 L263 M267	I241-C245 PolarHBondContact O-N 3.1Å; I241-C245 PolarHBondContact O-SG 3.35Å; I241-C245 VanDerWaalsContact O-SG 3.39Å; V242-C245 PolarHBondContact O-N 3.01Å; C245-Y248 PolarHBondContact O-N 3.03Å; C245-Y249 WeakPolarHBondContact O-CB 3.31Å; C245-Y249 PolarHBondContact O-N 3.09Å; C245-L263 HydrophobicContact CB-CB 4.28Å; C245-L263 HydrophobicContact CB-CD2 4.13Å; C245-M267 HydrophobicContact CB-CE 3.9Å; C245-M267 HydrophobicContact CB-CG 4.01Å; C245-M267 WeakPolarHBondContact O-CE 3.45Å
246	V	96.6	Very high	94.8	Very high	11 Å²	11	30.3 Å²	30.3	7%	0.067	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-46.3	176.6	166.5	0	0	0	0	110.5	V242 N243 L244 Y249 E250 M267 K294 I295 F298	V242-V246 HydrophobicContact CG1-CG2 4.47Å; V242-V246 WeakPolarHBondContact O-CG2 3.22Å; V242-V246 PolarHBondContact O-N 3.04Å; N243-V246 PolarHBondContact O-N 3.48Å; L244-V246 VanDerWaalsContact C-N 3.29Å; L244-V246 PolarHBondContact O-N 2.97Å; V246-Y249 PolarHBondContact O-N 2.92Å; V246-E250 VanDerWaalsContact O-CB 3.31Å; V246-E250 WeakPolarHBondContact O-CB 3.45Å; V246-E250 PolarHBondContact O-N 3.33Å; V246-M267 HydrophobicContact CG2-CE 4.17Å; V246-M267 HydrophobicContact CG2-CG 4.19Å; V246-M267 HydrophobicContact CG2-SD 3.79Å; V246-K294 HydrophobicContact CG1-CB 4.24Å; V246-K294 HydrophobicContact CG1-CD 3.88Å; V246-I295 HydrophobicContact CG2-CD1 3.94Å; V246-I295 HydrophobicContact CG2-CG1 3.63Å; V246-F298 HydrophobicContact CG1-CE2 4.11Å
247	D	94.3	Very high	95	Very high	66 Å²	66	28.3 Å²	28.3	35%	0.353	14%	0.139	S	C	.	.	H	α-helix	trans	-62.8	-46.2	177.4	-173.1	79.3	0	0	0	111.6	N243 L244 Y249 E250 N251	N243-D247 PolarHBondContact O-N 3.14Å; L244-D247 PolarHBondContact O-N 3.09Å; D247-Y249 VanDerWaalsContact C-N 3.34Å; D247-Y249 PolarHBondContact O-N 3.47Å; D247-E250 PolarHBondContact O-N 2.83Å; D247-N251 VanDerWaalsContact O-CB 3.29Å; D247-N251 WeakPolarHBondContact O-CB 3.37Å; D247-N251 PolarHBondContact O-N 3.49Å; D247-N251 PolarHBondContact O-ND2 3.47Å; D247-N251 PolarHBondContact OD1-ND2 3.15Å; D247-N251 PolarHBondContact OD2-ND2 2.94Å; D247-N251 VanDerWaalsContact OD2-ND2 3.07Å
248	Y	95.8	Very high	95	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-40.5	179.7	-84.2	29.3	0	0	0	112	E155 L159 L244 C245 K252 L253 L263 F600	E155-Y248 WeakPolarHBondContact CB-OH 3.49Å; E155-Y248 WeakPolarHBondContact OE2-CE1 3.37Å; E155-Y248 PolarHBondContact OE2-OH 3.5Å; L159-Y248 HydrophobicContact CD2-CE2 4.38Å; L244-Y248 HydrophobicContact CD1-CD1 3.65Å; L244-Y248 HydrophobicContact CD1-CE1 3.28Å; L244-Y248 HydrophobicContact CG-CD1 4.18Å; L244-Y248 HydrophobicContact CG-CE1 4.07Å; L244-Y248 WeakPolarHBondContact O-CB 3.26Å; L244-Y248 WeakPolarHBondContact O-CD1 3.4Å; L244-Y248 PolarHBondContact O-N 3.18Å; C245-Y248 PolarHBondContact O-N 3.03Å; Y248-K252 PolarHBondContact O-N 2.89Å; Y248-K252 VanDerWaalsContact O-N 3.09Å; Y248-L253 HydrophobicContact CD1-CB 4.01Å; Y248-L253 HydrophobicContact CD1-CD1 3.57Å; Y248-L253 HydrophobicContact CD1-CG 4.41Å; Y248-L253 HydrophobicContact CD2-CB 4Å; Y248-L253 WeakPolarHBondContact CD2-O 3.49Å; Y248-L253 HydrophobicContact CE1-CB 4.44Å; Y248-L253 HydrophobicContact CE1-CD1 3.68Å; Y248-L253 HydrophobicContact CE2-CB 4.47Å; Y248-L253 HydrophobicContact CG-CB 3.75Å; Y248-L253 HydrophobicContact CG-CD1 4.21Å; Y248-L253 PolarHBondContact O-N 3.21Å; Y248-L263 HydrophobicContact CD2-CD2 4.5Å; Y248-F600 HydrophobicContact CD2-CE2 4.35Å; Y248-F600 HydrophobicContact CD2-CZ 4.43Å; Y248-F600 AromaticContact CE2-CE2 3.63Å; Y248-F600 HydrophobicContact CE2-CE2 3.63Å; Y248-F600 HydrophobicContact CE2-CZ 4.12Å
249	Y	95.9	Very high	95.1	Very high	17 Å²	17	33.9 Å²	33.9	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-43.7	178	-171.3	-95.6	0	0	0	111.7	C245 V246 D247 K252 Y254 K260 L264 M267 F298	C245-Y249 WeakPolarHBondContact O-CB 3.31Å; C245-Y249 PolarHBondContact O-N 3.09Å; V246-Y249 PolarHBondContact O-N 2.92Å; D247-Y249 VanDerWaalsContact C-N 3.34Å; D247-Y249 PolarHBondContact O-N 3.47Å; Y249-K252 PolarHBondContact O-N 2.98Å; Y249-Y254 HydrophobicContact CD2-CE1 4.22Å; Y249-K260 HydrophobicContact CD2-CG 4.39Å; Y249-K260 HydrophobicContact CE2-CG 3.87Å; Y249-L264 HydrophobicContact CD1-CD2 4.44Å; Y249-L264 HydrophobicContact CD2-CD2 3.99Å; Y249-L264 HydrophobicContact CD2-CG 4.15Å; Y249-L264 HydrophobicContact CE1-CD2 4.34Å; Y249-L264 HydrophobicContact CE2-CD1 3.86Å; Y249-L264 HydrophobicContact CE2-CD2 3.89Å; Y249-L264 HydrophobicContact CE2-CG 3.91Å; Y249-L264 HydrophobicContact CG-CD2 4.27Å; Y249-M267 HydrophobicContact CG-CE 4.33Å; Y249-F298 HydrophobicContact CD1-CB 4.37Å; Y249-F298 AromaticContact CD1-CD1 3.79Å; Y249-F298 HydrophobicContact CD1-CD1 3.79Å; Y249-F298 AromaticContact CD1-CD2 3.63Å; Y249-F298 HydrophobicContact CD1-CD2 3.63Å; Y249-F298 AromaticContact CD1-CE1 3.9Å; Y249-F298 HydrophobicContact CD1-CE1 3.9Å; Y249-F298 AromaticContact CD1-CE2 3.73Å; Y249-F298 HydrophobicContact CD1-CE2 3.73Å; Y249-F298 AromaticContact CD1-CG 3.67Å; Y249-F298 HydrophobicContact CD1-CG 3.67Å; Y249-F298 AromaticContact CD1-CZ 3.87Å; Y249-F298 HydrophobicContact CD1-CZ 3.87Å; Y249-F298 HydrophobicContact CE1-CB 4.04Å; Y249-F298 AromaticContact CE1-CD1 3.67Å; Y249-F298 HydrophobicContact CE1-CD1 3.67Å; Y249-F298 HydrophobicContact CE1-CD2 4.15Å; Y249-F298 HydrophobicContact CE1-CE1 4.13Å; Y249-F298 AromaticContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CG-CD2 4.42Å; Y249-F298 HydrophobicContact CG-CE2 4.48Å
250	E	95.6	Very high	95.2	Very high	88 Å²	88	35 Å²	35	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-65.1	-41.9	179.6	-171.3	172.4	-146.5	0	0	112.3	V246 D247 K294 F298	V246-E250 VanDerWaalsContact O-CB 3.31Å; V246-E250 WeakPolarHBondContact O-CB 3.45Å; V246-E250 PolarHBondContact O-N 3.33Å; D247-E250 PolarHBondContact O-N 2.83Å; E250-K294 WeakPolarHBondContact OE1-CE 3.47Å; E250-K294 IonicContact OE1-NZ 3.81Å; E250-K294 PolarHBondContact OE1-NZ 3.25Å; E250-K294 IonicContact OE2-NZ 2.86Å; E250-K294 PolarHBondContact OE2-NZ 2.82Å; E250-F298 HydrophobicContact CB-CZ 4.08Å
251	N	94	Very high	95.3	Very high	66 Å²	66	33.5 Å²	33.5	35%	0.353	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.3	-177.1	-67.8	-47.6	0	0	0	114.2	D247 L253	D247-N251 VanDerWaalsContact O-CB 3.29Å; D247-N251 WeakPolarHBondContact O-CB 3.37Å; D247-N251 PolarHBondContact O-N 3.49Å; D247-N251 PolarHBondContact O-ND2 3.47Å; D247-N251 PolarHBondContact OD1-ND2 3.15Å; D247-N251 PolarHBondContact OD2-ND2 2.94Å; D247-N251 VanDerWaalsContact OD2-ND2 3.07Å; N251-L253 VanDerWaalsContact C-N 3.33Å; N251-L253 HydrophobicContact CB-CD1 4.35Å; N251-L253 HydrophobicContact CB-CG 4.13Å; N251-L253 PolarHBondContact O-N 3.41Å
252	K	94.4	Very high	95.4	Very high	136 Å²	136	35.1 Å²	35.1	59%	0.591	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	41	-176.8	-54.2	-174.4	-176.6	-173.9	0	113.7	Y248 Y249 Y254	Y248-K252 PolarHBondContact O-N 2.89Å; Y248-K252 VanDerWaalsContact O-N 3.09Å; Y249-K252 PolarHBondContact O-N 2.98Å; K252-Y254 HydrophobicContact CB-CE1 4.35Å; K252-Y254 PolarHBondContact O-N 2.66Å; K252-Y254 VanDerWaalsContact O-N 3.12Å
253	L	93.8	Very high	95.4	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.094	18%	0.178	C	C	.	.			trans	-86	65.3	172.4	-59.2	175.4	0	0	0	110.1	Y248 N251 K597 F600	Y248-L253 HydrophobicContact CD1-CB 4.01Å; Y248-L253 HydrophobicContact CD1-CD1 3.57Å; Y248-L253 HydrophobicContact CD1-CG 4.41Å; Y248-L253 HydrophobicContact CD2-CB 4Å; Y248-L253 WeakPolarHBondContact CD2-O 3.49Å; Y248-L253 HydrophobicContact CE1-CB 4.44Å; Y248-L253 HydrophobicContact CE1-CD1 3.68Å; Y248-L253 HydrophobicContact CE2-CB 4.47Å; Y248-L253 HydrophobicContact CG-CB 3.75Å; Y248-L253 HydrophobicContact CG-CD1 4.21Å; Y248-L253 PolarHBondContact O-N 3.21Å; N251-L253 VanDerWaalsContact C-N 3.33Å; N251-L253 HydrophobicContact CB-CD1 4.35Å; N251-L253 HydrophobicContact CB-CG 4.13Å; N251-L253 PolarHBondContact O-N 3.41Å; L253-K597 HydrophobicContact CD2-CG 4.31Å; L253-F600 VanDerWaalsContact C-CE1 3.45Å; L253-F600 HydrophobicContact CB-CE1 4.12Å; L253-F600 HydrophobicContact CB-CE2 4.25Å; L253-F600 HydrophobicContact CB-CZ 3.98Å; L253-F600 HydrophobicContact CD2-CD1 4.38Å; L253-F600 HydrophobicContact CD2-CG 4.35Å; L253-F600 VanDerWaalsContact O-CZ 3.24Å; L253-F600 WeakPolarHBondContact O-CZ 3.28Å
254	Y	95.3	Very high	95.5	Very high	42 Å²	42	33 Å²	33	17%	0.165	17%	0.165	C	C	.	.			trans	-159.6	160	173.2	54.8	-96.4	0	0	0	107.6	Y249 K252 K260 L263	Y249-Y254 HydrophobicContact CD2-CE1 4.22Å; K252-Y254 HydrophobicContact CB-CE1 4.35Å; K252-Y254 PolarHBondContact O-N 2.66Å; K252-Y254 VanDerWaalsContact O-N 3.12Å; Y254-K260 HydrophobicContact CD2-CB 3.68Å; Y254-K260 HydrophobicContact CD2-CG 4.2Å; Y254-K260 HydrophobicContact CE1-CG 4.4Å; Y254-K260 HydrophobicContact CE2-CB 3.78Å; Y254-K260 HydrophobicContact CE2-CD 4.02Å; Y254-K260 HydrophobicContact CE2-CG 3.79Å; Y254-K260 HydrophobicContact CG-CB 4.14Å; Y254-L263 HydrophobicContact CD1-CD1 3.85Å
255	L	94.4	Very high	95.6	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.164	C	C	.	.			trans	-124.4	-46.1	178.3	-168.5	58.8	0	0	0	112.6	E259 L395 I398 Q399 S402 F601 H604 T611	L255-E259 PolarHBondContact N-OE2 3.2Å; L255-L395 HydrophobicContact CD1-CD1 3.94Å; L255-I398 HydrophobicContact CD1-CB 4.39Å; L255-I398 HydrophobicContact CD1-CG2 3.69Å; L255-I398 HydrophobicContact CD2-CG2 3.76Å; L255-I398 HydrophobicContact CG-CG2 3.62Å; L255-Q399 HydrophobicContact CD1-CG 3.56Å; L255-S402 WeakPolarHBondContact O-CB 3.31Å; L255-S402 PolarHBondContact O-OG 3.39Å; L255-F601 HydrophobicContact CB-CD1 4.36Å; L255-F601 HydrophobicContact CB-CE1 4.4Å; L255-F601 HydrophobicContact CD1-CD1 4.42Å; L255-F601 HydrophobicContact CD1-CE1 4.48Å; L255-F601 HydrophobicContact CD2-CD1 4.46Å; L255-H604 HydrophobicContact CD2-CB 3.39Å; L255-T611 HydrophobicContact CD2-CG2 3.53Å; L255-T611 HydrophobicContact CG-CG2 4.27Å
256	T	95.8	Very high	95.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.164	C	C	.	.	S	Bend	trans	-89.3	158.2	-177.9	65.7	0	0	0	0	112.3	S258 E259 K260 Q614	T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 2.77Å; T256-S258 PolarHBondContact OG1-OG 2.68Å; T256-E259 PolarHBondContact N-OE2 3.14Å; T256-E259 PolarHBondContact O-N 3.02Å; T256-E259 WeakPolarHBondContact OG1-CB 3.25Å; T256-E259 WeakPolarHBondContact OG1-CG 3.39Å; T256-E259 PolarHBondContact OG1-N 2.72Å; T256-E259 PolarHBondContact OG1-OE2 2.98Å; T256-K260 PolarHBondContact O-N 3.43Å; T256-K260 VanDerWaalsContact O-N 3.12Å; T256-Q614 HydrophobicContact CG2-CB 3.78Å
257	P	96.1	Very high	95.7	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-39.1	174.7	-25	35.2	0	0	0	112.8	E259 K260 H261 S402 A406	P257-E259 PolarHBondContact O-N 3.46Å; P257-K260 WeakPolarHBondContact O-CB 3.38Å; P257-K260 PolarHBondContact O-N 3.29Å; P257-H261 PolarHBondContact O-N 3.04Å; P257-H261 PolarHBondContact O-ND1 2.98Å; P257-S402 WeakPolarHBondContact CD-OG 3.32Å; P257-A406 HydrophobicContact CB-CB 4.04Å; P257-A406 HydrophobicContact CG-CB 4.25Å
258	S	93.5	Very high	95.7	Very high	74 Å²	74	29.3 Å²	29.3	52%	0.517	14%	0.144	S	C	.	.	H	α-helix	trans	-65.7	-38.5	179.9	61.4	0	0	0	0	112.4	T256 H261 M262	T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 2.77Å; T256-S258 PolarHBondContact OG1-OG 2.68Å; S258-H261 PolarHBondContact O-N 3.4Å; S258-M262 VanDerWaalsContact O-CB 3.29Å; S258-M262 WeakPolarHBondContact O-CB 3.32Å; S258-M262 PolarHBondContact O-N 3.01Å
259	E	95	Very high	95.8	Very high	56 Å²	56	29.2 Å²	29.2	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-62.6	-46.8	171.9	-74.4	169.9	158.7	0	0	111.4	L255 T256 P257 H261 M262 L263 H604	L255-E259 PolarHBondContact N-OE2 3.2Å; T256-E259 PolarHBondContact N-OE2 3.14Å; T256-E259 PolarHBondContact O-N 3.02Å; T256-E259 WeakPolarHBondContact OG1-CB 3.25Å; T256-E259 WeakPolarHBondContact OG1-CG 3.39Å; T256-E259 PolarHBondContact OG1-N 2.72Å; T256-E259 PolarHBondContact OG1-OE2 2.98Å; P257-E259 PolarHBondContact O-N 3.46Å; E259-H261 VanDerWaalsContact C-N 3.35Å; E259-H261 PolarHBondContact O-N 2.99Å; E259-M262 WeakPolarHBondContact O-CB 3.31Å; E259-M262 PolarHBondContact O-N 2.84Å; E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 2.94Å; E259-H604 IonicContact OE1-CD2 2.82Å; E259-H604 IonicContact OE1-CE1 2.88Å; E259-H604 IonicContact OE1-NE2 2.78Å; E259-H604 PolarHBondContact OE1-NE2 3.25Å; E259-H604 IonicContact OE2-NE2 2.87Å
260	K	96.4	Very high	95.8	Very high	23 Å²	23	28.4 Å²	28.4	10%	0.1	14%	0.142	C	C	.	.	H	α-helix	trans	-55.4	-49.8	176.2	179.1	-169	175.3	-166.9	0	111.2	Y249 Y254 T256 P257 L263 E410	Y249-K260 HydrophobicContact CD2-CG 4.39Å; Y249-K260 HydrophobicContact CE2-CG 3.87Å; Y254-K260 HydrophobicContact CD2-CB 3.68Å; Y254-K260 HydrophobicContact CD2-CG 4.2Å; Y254-K260 HydrophobicContact CE1-CG 4.4Å; Y254-K260 HydrophobicContact CE2-CB 3.78Å; Y254-K260 HydrophobicContact CE2-CD 4.02Å; Y254-K260 HydrophobicContact CE2-CG 3.79Å; Y254-K260 HydrophobicContact CG-CB 4.14Å; T256-K260 PolarHBondContact O-N 3.43Å; T256-K260 VanDerWaalsContact O-N 3.12Å; P257-K260 WeakPolarHBondContact O-CB 3.38Å; P257-K260 PolarHBondContact O-N 3.29Å; K260-L263 PolarHBondContact O-N 2.92Å; K260-E410 IonicContact NZ-OE1 3.55Å; K260-E410 PolarHBondContact NZ-OE1 3.24Å; K260-E410 IonicContact NZ-OE2 2.72Å
261	H	96.8	Very high	95.8	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-69.6	-32.8	-178.3	-59.5	158.8	0	0	0	112.2	P257 S258 E259 L263 L264 K265 V305 E410	P257-H261 PolarHBondContact O-N 3.04Å; P257-H261 PolarHBondContact O-ND1 2.98Å; S258-H261 PolarHBondContact O-N 3.4Å; E259-H261 VanDerWaalsContact C-N 3.35Å; E259-H261 PolarHBondContact O-N 2.99Å; H261-L263 VanDerWaalsContact C-N 3.34Å; H261-L263 PolarHBondContact O-N 3.19Å; H261-L264 PolarHBondContact O-N 2.89Å; H261-K265 WeakPolarHBondContact O-CG 3.27Å; H261-K265 PolarHBondContact O-N 3.25Å; H261-K265 VanDerWaalsContact O-N 3.08Å; H261-V305 HydrophobicContact CB-CB 4.06Å; H261-V305 HydrophobicContact CB-CG1 4.22Å; H261-V305 HydrophobicContact CB-CG2 4.42Å; H261-E410 IonicContact CD2-OE1 3.59Å; H261-E410 IonicContact CE1-OE1 3.71Å; H261-E410 IonicContact NE2-OE1 2.81Å; H261-E410 PolarHBondContact NE2-OE1 3.43Å
262	M	96.4	Very high	96	Very high	37 Å²	37	23.4 Å²	23.4	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-46	174.7	-179.6	64	69.1	0	0	111.5	K163 N166 S258 E259 L264 K265 V266	K163-M262 HydrophobicContact CG-CE 4.39Å; K163-M262 HydrophobicContact CG-CG 4.33Å; K163-M262 HydrophobicContact CG-SD 4.29Å; N166-M262 HydrophobicContact CB-CE 4.31Å; N166-M262 HydrophobicContact CB-SD 3.45Å; N166-M262 WeakPolarHBondContact CB-SD 3.35Å; N166-M262 WeakPolarHBondContact ND2-CE 3.47Å; S258-M262 VanDerWaalsContact O-CB 3.29Å; S258-M262 WeakPolarHBondContact O-CB 3.32Å; S258-M262 PolarHBondContact O-N 3.01Å; E259-M262 WeakPolarHBondContact O-CB 3.31Å; E259-M262 PolarHBondContact O-N 2.84Å; M262-L264 VanDerWaalsContact C-N 3.27Å; M262-L264 PolarHBondContact O-N 3.25Å; M262-K265 PolarHBondContact O-N 3.43Å; M262-V266 HydrophobicContact CG-CG2 4.24Å; M262-V266 VanDerWaalsContact O-CG2 3.32Å; M262-V266 WeakPolarHBondContact O-CG2 3.28Å; M262-V266 PolarHBondContact O-N 2.84Å; M262-V266 HydrophobicContact SD-CG2 3.98Å
263	L	97.4	Very high	96	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-55.7	-44.1	180	-60.1	176.6	0	0	0	111.5	L159 C245 Y248 Y254 E259 K260 H261 V266 M267	L159-L263 HydrophobicContact CD1-CD2 3.82Å; C245-L263 HydrophobicContact CB-CB 4.28Å; C245-L263 HydrophobicContact CB-CD2 4.13Å; Y248-L263 HydrophobicContact CD2-CD2 4.5Å; Y254-L263 HydrophobicContact CD1-CD1 3.85Å; E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 2.94Å; K260-L263 PolarHBondContact O-N 2.92Å; H261-L263 VanDerWaalsContact C-N 3.34Å; H261-L263 PolarHBondContact O-N 3.19Å; L263-V266 PolarHBondContact O-N 2.99Å; L263-M267 HydrophobicContact CB-CE 4.16Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 3.07Å
264	L	97	Very high	96.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.3	-39.5	179.9	-62.6	175.9	0	0	0	112.5	Y249 H261 M262 M267 G268 F298 F299 L302 V305 L315	Y249-L264 HydrophobicContact CD1-CD2 4.44Å; Y249-L264 HydrophobicContact CD2-CD2 3.99Å; Y249-L264 HydrophobicContact CD2-CG 4.15Å; Y249-L264 HydrophobicContact CE1-CD2 4.34Å; Y249-L264 HydrophobicContact CE2-CD1 3.86Å; Y249-L264 HydrophobicContact CE2-CD2 3.89Å; Y249-L264 HydrophobicContact CE2-CG 3.91Å; Y249-L264 HydrophobicContact CG-CD2 4.27Å; H261-L264 PolarHBondContact O-N 2.89Å; M262-L264 VanDerWaalsContact C-N 3.27Å; M262-L264 PolarHBondContact O-N 3.25Å; L264-M267 HydrophobicContact CD2-CE 4.11Å; L264-M267 HydrophobicContact CD2-SD 4.13Å; L264-M267 PolarHBondContact O-N 3.12Å; L264-G268 PolarHBondContact O-N 3.23Å; L264-F298 HydrophobicContact CD2-CB 4.02Å; L264-F299 HydrophobicContact CB-CE1 4.19Å; L264-F299 HydrophobicContact CD2-CD1 4.33Å; L264-F299 HydrophobicContact CD2-CE1 4.16Å; L264-L302 HydrophobicContact CD1-CB 4.39Å; L264-L302 HydrophobicContact CD1-CD2 3.61Å; L264-L302 HydrophobicContact CD1-CG 4.11Å; L264-V305 HydrophobicContact CD1-CG1 4.43Å; L264-L315 HydrophobicContact CB-CD1 3.84Å; L264-L315 HydrophobicContact CB-CD2 4.17Å; L264-L315 HydrophobicContact CD1-CD1 4.04Å; L264-L315 HydrophobicContact CG-CD1 4.48Å
265	K	96.7	Very high	96	Very high	18 Å²	18	14.4 Å²	14.4	8%	0.078	8%	0.076	C	C	.	.	H	α-helix	trans	-63	-42.3	175.5	-70.3	-176.1	-67.5	-165.5	0	111.6	N166 H261 M262 G268 F269 V305 P306 L307 I313 L315	N166-K265 VanDerWaalsContact OD1-CB 3.32Å; N166-K265 WeakPolarHBondContact OD1-CB 3.43Å; N166-K265 WeakPolarHBondContact OD1-CD 3.44Å; N166-K265 WeakPolarHBondContact OD1-CE 3.43Å; H261-K265 WeakPolarHBondContact O-CG 3.27Å; H261-K265 PolarHBondContact O-N 3.25Å; H261-K265 VanDerWaalsContact O-N 3.08Å; M262-K265 PolarHBondContact O-N 3.43Å; K265-G268 PolarHBondContact O-N 2.82Å; K265-F269 PolarHBondContact O-N 3.01Å; K265-V305 HydrophobicContact CD-CG2 4.21Å; K265-V305 HydrophobicContact CG-CG2 3.88Å; K265-P306 PolarHBondContact NZ-O 3.24Å; K265-L307 HydrophobicContact CD-CD1 4Å; K265-I313 HydrophobicContact CD-CG2 4.02Å; K265-I313 HydrophobicContact CG-CG2 4.05Å; K265-L315 HydrophobicContact CG-CD2 4.36Å
266	V	97.3	Very high	95.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-40.8	176.1	176	0	0	0	0	111.4	G162 N166 I241 M262 L263 G268 G270	G162-V266 VanDerWaalsContact O-CG2 3.26Å; G162-V266 WeakPolarHBondContact O-CG2 3.41Å; N166-V266 HydrophobicContact CB-CG2 4.22Å; I241-V266 HydrophobicContact CG2-CG1 3.68Å; M262-V266 HydrophobicContact CG-CG2 4.24Å; M262-V266 VanDerWaalsContact O-CG2 3.32Å; M262-V266 WeakPolarHBondContact O-CG2 3.28Å; M262-V266 PolarHBondContact O-N 2.84Å; M262-V266 HydrophobicContact SD-CG2 3.98Å; L263-V266 PolarHBondContact O-N 2.99Å; V266-G268 PolarHBondContact O-N 3.26Å; V266-G270 VanDerWaalsContact O-CA 3.31Å; V266-G270 WeakPolarHBondContact O-CA 3.25Å; V266-G270 PolarHBondContact O-N 3.17Å
267	M	97.6	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.5	-49.6	172.8	-70.2	175.4	-144.8	0	0	111.3	C245 V246 Y249 L263 L264 L271 I295 F298 F299	C245-M267 HydrophobicContact CB-CE 3.9Å; C245-M267 HydrophobicContact CB-CG 4.01Å; C245-M267 WeakPolarHBondContact O-CE 3.45Å; V246-M267 HydrophobicContact CG2-CE 4.17Å; V246-M267 HydrophobicContact CG2-CG 4.19Å; V246-M267 HydrophobicContact CG2-SD 3.79Å; Y249-M267 HydrophobicContact CG-CE 4.33Å; L263-M267 HydrophobicContact CB-CE 4.16Å; L263-M267 VanDerWaalsContact O-CG 3.28Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 3.07Å; L264-M267 HydrophobicContact CD2-CE 4.11Å; L264-M267 HydrophobicContact CD2-SD 4.13Å; L264-M267 PolarHBondContact O-N 3.12Å; M267-L271 WeakPolarHBondContact O-CB 3.37Å; M267-L271 VanDerWaalsContact O-CG 3.28Å; M267-L271 WeakPolarHBondContact O-CG 3.34Å; M267-L271 PolarHBondContact O-N 2.91Å; M267-I295 HydrophobicContact CB-CG2 4.36Å; M267-I295 HydrophobicContact SD-CG1 4.19Å; M267-F298 HydrophobicContact CE-CD2 4.35Å; M267-F298 HydrophobicContact SD-CD2 4.13Å; M267-F299 HydrophobicContact CB-CE1 4.38Å; M267-F299 HydrophobicContact CB-CZ 4.24Å
268	G	95.7	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-55.4	-175.8	0	0	0	0	0	112.3	L264 K265 V266 L271 Y272 Y318	L264-G268 PolarHBondContact O-N 3.23Å; K265-G268 PolarHBondContact O-N 2.82Å; V266-G268 PolarHBondContact O-N 3.26Å; G268-L271 PolarHBondContact O-N 3.25Å; G268-Y272 PolarHBondContact O-N 3.32Å; G268-Y272 VanDerWaalsContact O-N 3.07Å; G268-Y318 WeakPolarHBondContact O-CB 3.47Å
269	F	96.9	Very high	94.9	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-72.6	-30.2	-178.1	-164.4	-137.4	0	0	0	112.5	I165 F168 A169 T221 L224 K265 Y272 L273 Y318	I165-F269 HydrophobicContact CG2-CB 4.16Å; I165-F269 HydrophobicContact CG2-CD1 3.34Å; I165-F269 HydrophobicContact CG2-CE1 4.08Å; I165-F269 HydrophobicContact CG2-CG 4.09Å; I165-F269 VanDerWaalsContact O-CD1 3.22Å; I165-F269 WeakPolarHBondContact O-CD1 3.4Å; I165-F269 WeakPolarHBondContact O-CE1 3.33Å; F168-F269 HydrophobicContact CB-CE1 4.49Å; A169-F269 HydrophobicContact CB-CD1 3.69Å; A169-F269 HydrophobicContact CB-CE1 3.81Å; A169-F269 HydrophobicContact CB-CG 4.17Å; A169-F269 HydrophobicContact CB-CZ 4.34Å; T221-F269 HydrophobicContact CG2-CE2 3.86Å; T221-F269 HydrophobicContact CG2-CZ 3.81Å; L224-F269 HydrophobicContact CD2-CE1 4.49Å; K265-F269 PolarHBondContact O-N 3.01Å; F269-Y272 AromaticContact CD2-CD1 3.7Å; F269-Y272 HydrophobicContact CD2-CD1 3.7Å; F269-Y272 HydrophobicContact CD2-CG 4.25Å; F269-Y272 AromaticContact CE2-CD1 3.54Å; F269-Y272 HydrophobicContact CE2-CD1 3.54Å; F269-Y272 AromaticContact CE2-CE1 3.99Å; F269-Y272 HydrophobicContact CE2-CE1 3.99Å; F269-Y272 HydrophobicContact CE2-CG 4.49Å; F269-Y272 WeakPolarHBondContact O-CB 3.14Å; F269-Y272 PolarHBondContact O-N 2.78Å; F269-L273 HydrophobicContact CD1-CD1 4.23Å; F269-L273 HydrophobicContact CE1-CD1 4.08Å; F269-L273 HydrophobicContact CE1-CG 4.46Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CE2-CG 4.38Å; F269-L273 HydrophobicContact CZ-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD2 4.14Å; F269-L273 HydrophobicContact CZ-CG 4.34Å; F269-L273 WeakPolarHBondContact O-CG 3.3Å; F269-L273 PolarHBondContact O-N 3Å; F269-Y318 HydrophobicContact CB-CD1 4.28Å; F269-Y318 HydrophobicContact CB-CE1 3.88Å; F269-Y318 HydrophobicContact CB-CE2 4.38Å; F269-Y318 AromaticContact CD2-CD1 3.89Å; F269-Y318 HydrophobicContact CD2-CD1 3.89Å; F269-Y318 AromaticContact CD2-CE1 3.5Å; F269-Y318 HydrophobicContact CD2-CE1 3.5Å; F269-Y318 HydrophobicContact CE2-CE1 4.36Å; F269-Y318 AromaticContact CG-CE1 3.99Å; F269-Y318 HydrophobicContact CG-CE1 3.99Å
270	G	96.3	Very high	94.8	Very high	1 Å²	1	20 Å²	20	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-47.5	171.4	0	0	0	0	0	112.3	V266 Y272 L273 M274	V266-G270 VanDerWaalsContact O-CA 3.31Å; V266-G270 WeakPolarHBondContact O-CA 3.25Å; V266-G270 PolarHBondContact O-N 3.17Å; G270-Y272 VanDerWaalsContact C-N 3.32Å; G270-Y272 PolarHBondContact O-N 3.5Å; G270-L273 PolarHBondContact O-N 3.2Å; G270-M274 WeakPolarHBondContact O-CB 3.07Å; G270-M274 WeakPolarHBondContact O-CG 3.45Å; G270-M274 PolarHBondContact O-N 3.37Å
271	L	96.3	Very high	94.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-40.6	173.7	-72.2	-179.5	0	0	0	112.1	V242 M267 G268 L273 M274 D275 I281 I290 L292 I295 I319 W332	V242-L271 HydrophobicContact CG1-CD2 4.47Å; M267-L271 WeakPolarHBondContact O-CB 3.37Å; M267-L271 VanDerWaalsContact O-CG 3.28Å; M267-L271 WeakPolarHBondContact O-CG 3.34Å; M267-L271 PolarHBondContact O-N 2.91Å; G268-L271 PolarHBondContact O-N 3.25Å; L271-L273 PolarHBondContact O-N 3.18Å; L271-M274 PolarHBondContact O-N 2.54Å; L271-D275 WeakPolarHBondContact O-CB 3.41Å; L271-D275 PolarHBondContact O-N 3.33Å; L271-D275 VanDerWaalsContact O-N 3.1Å; L271-I281 HydrophobicContact CD2-CG2 4.18Å; L271-I290 HydrophobicContact CD2-CD1 3.81Å; L271-L292 HydrophobicContact CD1-CD2 3.95Å; L271-L292 HydrophobicContact CD2-CD2 3.77Å; L271-I295 HydrophobicContact CD1-CD1 3.78Å; L271-I295 HydrophobicContact CD1-CG2 3.98Å; L271-I295 HydrophobicContact CD2-CD1 4.35Å; L271-I295 HydrophobicContact CG-CD1 4.27Å; L271-I319 HydrophobicContact CD1-CD1 3.88Å; L271-W332 HydrophobicContact CD1-CH2 4.16Å
272	Y	96.2	Very high	94.7	Very high	47 Å²	47	19 Å²	19	18%	0.184	11%	0.105	C	C	.	.	H	α-helix	trans	-60.8	-42	176.7	177.9	-95.6	0	0	0	112.6	T221 Q225 G268 F269 G270 D275 Y318 T321	T221-Y272 HydrophobicContact CG2-CE1 3.75Å; Q225-Y272 VanDerWaalsContact NE2-CE1 3.26Å; G268-Y272 PolarHBondContact O-N 3.32Å; G268-Y272 VanDerWaalsContact O-N 3.07Å; F269-Y272 AromaticContact CD2-CD1 3.7Å; F269-Y272 HydrophobicContact CD2-CD1 3.7Å; F269-Y272 HydrophobicContact CD2-CG 4.25Å; F269-Y272 AromaticContact CE2-CD1 3.54Å; F269-Y272 HydrophobicContact CE2-CD1 3.54Å; F269-Y272 AromaticContact CE2-CE1 3.99Å; F269-Y272 HydrophobicContact CE2-CE1 3.99Å; F269-Y272 HydrophobicContact CE2-CG 4.49Å; F269-Y272 WeakPolarHBondContact O-CB 3.14Å; F269-Y272 PolarHBondContact O-N 2.78Å; G270-Y272 VanDerWaalsContact C-N 3.32Å; G270-Y272 PolarHBondContact O-N 3.5Å; Y272-D275 PolarHBondContact O-N 2.93Å; Y272-Y318 HydrophobicContact CG-CD1 4.45Å; Y272-T321 WeakPolarHBondContact CE2-O 3.28Å
273	L	95.4	Very high	94.5	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-73	-27.6	176.8	-66.8	175.6	0	0	0	113.2	I165 L224 Q225 L228 Y234 L238 F269 G270 L271 D275	I165-L273 HydrophobicContact CG2-CD1 3.83Å; L224-L273 HydrophobicContact CD2-CD1 3.82Å; L224-L273 HydrophobicContact CD2-CD2 4.23Å; Q225-L273 HydrophobicContact CG-CD2 3.58Å; L228-L273 HydrophobicContact CD1-CD1 4.33Å; Y234-L273 WeakPolarHBondContact CE2-O 3.39Å; Y234-L273 PolarHBondContact OH-O 3.36Å; L238-L273 HydrophobicContact CD1-CB 3.96Å; F269-L273 HydrophobicContact CD1-CD1 4.23Å; F269-L273 HydrophobicContact CE1-CD1 4.08Å; F269-L273 HydrophobicContact CE1-CG 4.46Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CE2-CG 4.38Å; F269-L273 HydrophobicContact CZ-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD2 4.14Å; F269-L273 HydrophobicContact CZ-CG 4.34Å; F269-L273 WeakPolarHBondContact O-CG 3.3Å; F269-L273 PolarHBondContact O-N 3Å; G270-L273 PolarHBondContact O-N 3.2Å; L271-L273 PolarHBondContact O-N 3.18Å; L273-D275 VanDerWaalsContact C-N 3.35Å
274	M	95.2	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-78.5	-17.6	176.7	-71.7	170.9	62.3	0	0	113.4	L238 A239 V242 G270 L271 S279 I281 L284 I290	L238-M274 HydrophobicContact CB-CG 3.52Å; L238-M274 HydrophobicContact CB-SD 3.68Å; L238-M274 HydrophobicContact CD1-CG 3.78Å; L238-M274 HydrophobicContact CG-CG 4.31Å; A239-M274 HydrophobicContact CB-CE 3.63Å; A239-M274 HydrophobicContact CB-SD 4.39Å; V242-M274 HydrophobicContact CG2-SD 4.21Å; G270-M274 WeakPolarHBondContact O-CB 3.07Å; G270-M274 WeakPolarHBondContact O-CG 3.45Å; G270-M274 PolarHBondContact O-N 3.37Å; L271-M274 PolarHBondContact O-N 2.54Å; M274-S279 CarbonylContact O-C 3.54Å; M274-S279 WeakPolarHBondContact O-CB 3.32Å; M274-S279 PolarHBondContact O-OG 3.24Å; M274-I281 HydrophobicContact CB-CG2 3.64Å; M274-L284 HydrophobicContact CE-CD1 3.42Å; M274-L284 VanDerWaalsContact CE-CD1 3.42Å; M274-I290 HydrophobicContact CE-CD1 4.25Å; M274-I290 HydrophobicContact CE-CG2 4.15Å
275	D	94.4	Very high	94.1	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-102.7	83.5	-178.7	-159.8	44.1	0	0	0	110.9	L271 Y272 L273 I281 S322 A323 H324	L271-D275 WeakPolarHBondContact O-CB 3.41Å; L271-D275 PolarHBondContact O-N 3.33Å; L271-D275 VanDerWaalsContact O-N 3.1Å; Y272-D275 PolarHBondContact O-N 2.93Å; L273-D275 VanDerWaalsContact C-N 3.35Å; D275-I281 HydrophobicContact CB-CB 4.5Å; D275-I281 HydrophobicContact CB-CD1 4.1Å; D275-I281 HydrophobicContact CB-CG1 4.04Å; D275-I281 HydrophobicContact CB-CG2 3.84Å; D275-I281 PolarHBondContact OD1-N 3Å; D275-S322 VanDerWaalsContact OD2-CB 3.29Å; D275-S322 WeakPolarHBondContact OD2-CB 3.35Å; D275-S322 PolarHBondContact OD2-OG 3.37Å; D275-A323 VanDerWaalsContact O-CB 3.32Å; D275-A323 WeakPolarHBondContact O-CB 3.18Å; D275-A323 PolarHBondContact OD2-N 3.08Å; D275-H324 VanDerWaalsContact CG-ND1 3.34Å; D275-H324 IonicContact OD1-CE1 3.14Å; D275-H324 IonicContact OD1-CG 2.79Å; D275-H324 IonicContact OD1-ND1 2.74Å; D275-H324 PolarHBondContact OD1-ND1 3.23Å; D275-H324 IonicContact OD2-CG 3.49Å; D275-H324 PolarHBondContact OD2-N 2.9Å; D275-H324 IonicContact OD2-ND1 3.42Å; D275-H324 PolarHBondContact OD2-ND1 3.38Å
276	G	90.6	Very high	94	Very high	9 Å²	9	28.7 Å²	28.7	9%	0.093	16%	0.162	C	C	.	.	S	Bend	trans	-138.1	-158.3	-173.1	0	0	0	0	0	112.8	E229 S278 S279 H324	E229-G276 WeakPolarHBondContact OE1-CA 3.47Å; G276-S278 PolarHBondContact O-N 3.12Å; G276-S279 CarbonylContact C-O 3.44Å; G276-S279 PolarHBondContact N-O 2.93Å; G276-H324 PolarHBondContact O-CE1 3.45Å; G276-H324 VanDerWaalsContact O-CE1 3.26Å
277	N	87.5	Confident	93.8	Very high	154 Å²	154	36.4 Å²	36.4	82%	0.824	20%	0.195	S	C	*	.	S	Bend	trans	-71.4	-33.8	-177	-67.6	-44.5	0	0	0	112.5	E229	E229-N277 PolarHBondContact OE1-N 3.41Å
278	S	85.4	Confident	93.6	Very high	69 Å²	69	45.5 Å²	45.5	48%	0.483	24%	0.235	S	C	.	.	S	Bend	trans	-92.7	-17.3	-176.3	46.5	0	0	0	0	114.5	E229 Y234 G276	E229-S278 WeakPolarHBondContact CG-OG 3.37Å; Y234-S278 WeakPolarHBondContact CE1-OG 3.31Å; G276-S278 PolarHBondContact O-N 3.12Å
279	S	91.8	Very high	93.4	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.07	24%	0.242	C	C	.	.			trans	-141.6	149.3	-172.9	168.9	0	0	0	0	111.2	E235 M274 G276	E235-S279 WeakPolarHBondContact CB-OG 3.16Å; M274-S279 CarbonylContact O-C 3.54Å; M274-S279 WeakPolarHBondContact O-CB 3.32Å; M274-S279 PolarHBondContact O-OG 3.24Å; G276-S279 CarbonylContact C-O 3.44Å; G276-S279 PolarHBondContact N-O 2.93Å
280	N	94	Very high	93.3	Very high	22 Å²	22	47.4 Å²	47.4	12%	0.118	24%	0.242	C	C	.	.			trans	-137	119.8	-179.2	179	-65.7	0	0	0	110.3	Y282 K283 L284 H324	N280-Y282 VanDerWaalsContact C-N 3.3Å; N280-Y282 PolarHBondContact O-N 2.9Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.38Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.47Å; N280-Y282 PolarHBondContact OD1-N 3.41Å; N280-K283 HydrophobicContact CB-CB 4.38Å; N280-K283 HydrophobicContact CB-CD 4.15Å; N280-K283 HydrophobicContact CB-CG 4.22Å; N280-K283 PolarHBondContact O-N 2.85Å; N280-K283 PolarHBondContact OD1-N 3.05Å; N280-L284 PolarHBondContact O-N 3.43Å; N280-H324 PolarHBondContact ND2-CD2 2.65Å; N280-H324 PolarHBondContact ND2-ND1 3.39Å
281	I	95.5	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-31.1	-174	59.9	176.2	0	0	0	112.8	L271 M274 D275 L284 D285 I290	L271-I281 HydrophobicContact CD2-CG2 4.18Å; M274-I281 HydrophobicContact CB-CG2 3.64Å; D275-I281 HydrophobicContact CB-CB 4.5Å; D275-I281 HydrophobicContact CB-CD1 4.1Å; D275-I281 HydrophobicContact CB-CG1 4.04Å; D275-I281 HydrophobicContact CB-CG2 3.84Å; D275-I281 PolarHBondContact OD1-N 3Å; I281-L284 WeakPolarHBondContact O-CB 3.39Å; I281-L284 PolarHBondContact O-N 3.12Å; I281-D285 WeakPolarHBondContact O-CB 3.28Å; I281-D285 PolarHBondContact O-N 3.39Å; I281-I290 HydrophobicContact CB-CD1 4.06Å; I281-I290 HydrophobicContact CG2-CD1 4.42Å
282	Y	94.5	Very high	93.2	Very high	11 Å²	11	50.8 Å²	50.8	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-72.3	-31.7	-179.9	-52.8	-77.8	0	0	0	112.3	N280 A286 L292 H324 F325 N328 K331 W332	N280-Y282 VanDerWaalsContact C-N 3.3Å; N280-Y282 PolarHBondContact O-N 2.9Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.38Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.47Å; N280-Y282 PolarHBondContact OD1-N 3.41Å; Y282-A286 WeakPolarHBondContact O-CB 3.38Å; Y282-A286 PolarHBondContact O-N 2.83Å; Y282-L292 HydrophobicContact CD1-CD1 3.82Å; Y282-L292 HydrophobicContact CE1-CD1 4.21Å; Y282-H324 HydrophobicContact CD2-CB 4.08Å; Y282-H324 HydrophobicContact CE2-CB 3.8Å; Y282-H324 WeakPolarHBondContact CE2-O 3.46Å; Y282-F325 WeakPolarHBondContact OH-CA 3.4Å; Y282-N328 HydrophobicContact CD1-CB 3.78Å; Y282-N328 HydrophobicContact CD2-CB 4.16Å; Y282-N328 WeakPolarHBondContact CD2-ND2 3.4Å; Y282-N328 HydrophobicContact CE1-CB 3.32Å; Y282-N328 HydrophobicContact CE2-CB 3.79Å; Y282-N328 HydrophobicContact CG-CB 4.14Å; Y282-K331 HydrophobicContact CD1-CD 3.79Å; Y282-K331 HydrophobicContact CE1-CD 4.22Å; Y282-W332 HydrophobicContact CE1-CZ2 4.46Å; Y282-W332 AromaticContact CE1-NE1 3.55Å; Y282-W332 AromaticContact CZ-NE1 3.83Å; Y282-W332 PolarHBondContact OH-NE1 2.95Å
283	K	93.4	Very high	93.1	Very high	144 Å²	144	53.4 Å²	53.4	63%	0.626	28%	0.281	S	S	*	.	H	α-helix	trans	-72	-36.4	171.2	-66.4	-178.1	-173.1	171	0	111.4	N280 A286 K287	N280-K283 HydrophobicContact CB-CB 4.38Å; N280-K283 HydrophobicContact CB-CD 4.15Å; N280-K283 HydrophobicContact CB-CG 4.22Å; N280-K283 PolarHBondContact O-N 2.85Å; N280-K283 PolarHBondContact OD1-N 3.05Å; K283-A286 PolarHBondContact O-N 2.92Å; K283-K287 WeakPolarHBondContact O-CG 3.39Å; K283-K287 PolarHBondContact O-N 2.92Å; K283-K287 VanDerWaalsContact O-N 3.14Å
284	L	92.9	Very high	93.1	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-42	173.7	-67.9	176.8	0	0	0	111.4	E235 M274 N280 I281 K287 K288 R289 I290	E235-L284 HydrophobicContact CG-CD1 4.41Å; M274-L284 HydrophobicContact CE-CD1 3.42Å; M274-L284 VanDerWaalsContact CE-CD1 3.42Å; N280-L284 PolarHBondContact O-N 3.43Å; I281-L284 WeakPolarHBondContact O-CB 3.39Å; I281-L284 PolarHBondContact O-N 3.12Å; L284-K287 CarbonylContact O-C 3.42Å; L284-K287 PolarHBondContact O-N 3.03Å; L284-K288 PolarHBondContact O-N 2.65Å; L284-R289 HydrophobicContact CB-CB 4.23Å; L284-R289 HydrophobicContact CD2-CB 4.36Å; L284-R289 HydrophobicContact CD2-CG 4.23Å; L284-R289 WeakPolarHBondContact O-CB 3.3Å; L284-R289 PolarHBondContact O-N 3.11Å; L284-I290 HydrophobicContact CB-CD1 4.08Å; L284-I290 HydrophobicContact CB-CG1 4.05Å
285	D	93.6	Very high	93.2	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-43.8	172.9	-178.8	69.5	0	0	0	112.2	I281 K287 K288 I290 L292 K331	I281-D285 WeakPolarHBondContact O-CB 3.28Å; I281-D285 PolarHBondContact O-N 3.39Å; D285-K287 PolarHBondContact O-N 2.97Å; D285-K288 WeakPolarHBondContact O-CA 3.43Å; D285-K288 PolarHBondContact O-N 3.06Å; D285-I290 HydrophobicContact CB-CG1 4.31Å; D285-L292 HydrophobicContact CB-CD1 3.6Å; D285-L292 HydrophobicContact CB-CG 3.8Å; D285-L292 PolarHBondContact OD1-N 3.19Å; D285-L292 VanDerWaalsContact OD1-N 3.1Å; D285-K331 IonicContact OD2-NZ 2.66Å; D285-K331 PolarHBondContact OD2-NZ 3.28Å
286	A	92.8	Very high	93.2	Very high	79 Å²	79	56.9 Å²	56.9	65%	0.653	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-31.8	175	0	0	0	0	0	112.9	Y282 K283 K288	Y282-A286 WeakPolarHBondContact O-CB 3.38Å; Y282-A286 PolarHBondContact O-N 2.83Å; K283-A286 PolarHBondContact O-N 2.92Å; A286-K288 PolarHBondContact O-N 3.29Å
287	K	93.3	Very high	93.4	Very high	162 Å²	162	63 Å²	63	70%	0.704	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	1.6	172.2	-67.3	175.2	-176.4	178.2	0	113.3	K283 L284 D285 R289	K283-K287 WeakPolarHBondContact O-CG 3.39Å; K283-K287 PolarHBondContact O-N 2.92Å; K283-K287 VanDerWaalsContact O-N 3.14Å; L284-K287 CarbonylContact O-C 3.42Å; L284-K287 PolarHBondContact O-N 3.03Å; D285-K287 PolarHBondContact O-N 2.97Å; K287-R289 PolarHBondContact O-N 3.05Å
288	K	92.9	Very high	93.7	Very high	191 Å²	191	56.5 Å²	56.5	83%	0.83	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	27.9	-172.6	-54.9	-177.2	178.5	-178	0	113.2	L284 D285 A286	L284-K288 PolarHBondContact O-N 2.65Å; D285-K288 WeakPolarHBondContact O-CA 3.43Å; D285-K288 PolarHBondContact O-N 3.06Å; A286-K288 PolarHBondContact O-N 3.29Å
289	R	92.8	Very high	94.1	Very high	41 Å²	41	53.2 Å²	53.2	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	-76.4	-32.5	179.4	179.6	57.8	-175.4	91.5	-5.7	112.2	E236 A239 D240 N243 L284 K287	E236-R289 PolarHBondContact O-NH2 3.22Å; E236-R289 IonicContact OE2-CZ 3.71Å; E236-R289 IonicContact OE2-NE 2.86Å; E236-R289 PolarHBondContact OE2-NE 3.01Å; E236-R289 IonicContact OE2-NH2 3.6Å; E236-R289 PolarHBondContact OE2-NH2 3.39Å; A239-R289 HydrophobicContact CB-CG 4.21Å; D240-R289 VanDerWaalsContact CG-NH2 3.29Å; D240-R289 IonicContact OD1-CZ 2.67Å; D240-R289 IonicContact OD1-NH1 3.51Å; D240-R289 IonicContact OD1-NH2 3.71Å; D240-R289 PolarHBondContact OD1-NH2 2.76Å; D240-R289 IonicContact OD2-NH2 3.94Å; N243-R289 PolarHBondContact ND2-NH1 2.88Å; N243-R289 PolarHBondContact ND2-O 3.33Å; L284-R289 HydrophobicContact CB-CB 4.23Å; L284-R289 HydrophobicContact CD2-CB 4.36Å; L284-R289 HydrophobicContact CD2-CG 4.23Å; L284-R289 WeakPolarHBondContact O-CB 3.3Å; L284-R289 PolarHBondContact O-N 3.11Å; K287-R289 PolarHBondContact O-N 3.05Å
290	I	94.5	Very high	94.1	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	28%	0.276	C	S	.	.	S	Bend	trans	-133	166.1	172.3	58.9	177.2	0	0	0	108.3	A239 L271 M274 I281 L284 D285 L292	A239-I290 HydrophobicContact CB-CG2 3.75Å; L271-I290 HydrophobicContact CD2-CD1 3.81Å; M274-I290 HydrophobicContact CE-CD1 4.25Å; M274-I290 HydrophobicContact CE-CG2 4.15Å; I281-I290 HydrophobicContact CB-CD1 4.06Å; I281-I290 HydrophobicContact CG2-CD1 4.42Å; L284-I290 HydrophobicContact CB-CD1 4.08Å; L284-I290 HydrophobicContact CB-CG1 4.05Å; D285-I290 HydrophobicContact CB-CG1 4.31Å; I290-L292 HydrophobicContact CD1-CD2 3.73Å; I290-L292 HydrophobicContact CD1-CG 4.27Å; I290-L292 HydrophobicContact CG1-CD2 4.37Å
291	N	94.4	Very high	93.9	Very high	64 Å²	64	60 Å²	60	34%	0.342	29%	0.291	S	S	.	.			trans	-122.9	93.3	178.6	-171.8	-32.8	0	0	0	110.3	T293 K294	N291-T293 VanDerWaalsContact C-N 3.27Å; N291-T293 PolarHBondContact O-N 3.33Å; N291-T293 WeakPolarHBondContact OD1-CB 3.33Å; N291-T293 PolarHBondContact OD1-N 3.32Å; N291-K294 HydrophobicContact CB-CG 4.5Å; N291-K294 PolarHBondContact O-N 3.47Å; N291-K294 PolarHBondContact OD1-N 2.72Å
292	L	95.1	Very high	93.8	Very high	8 Å²	8	60 Å²	60	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-30.7	-178.4	-62.2	178.5	0	0	0	111.9	L271 Y282 D285 I290 K294 I295 D296 W332	L271-L292 HydrophobicContact CD1-CD2 3.95Å; L271-L292 HydrophobicContact CD2-CD2 3.77Å; Y282-L292 HydrophobicContact CD1-CD1 3.82Å; Y282-L292 HydrophobicContact CE1-CD1 4.21Å; D285-L292 HydrophobicContact CB-CD1 3.6Å; D285-L292 HydrophobicContact CB-CG 3.8Å; D285-L292 PolarHBondContact OD1-N 3.19Å; D285-L292 VanDerWaalsContact OD1-N 3.1Å; I290-L292 HydrophobicContact CD1-CD2 3.73Å; I290-L292 HydrophobicContact CD1-CG 4.27Å; I290-L292 HydrophobicContact CG1-CD2 4.37Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 2.69Å; L292-I295 PolarHBondContact O-N 3.19Å; L292-D296 WeakPolarHBondContact O-CB 3.28Å; L292-D296 PolarHBondContact O-N 3.42Å; L292-W332 HydrophobicContact CB-CH2 4.12Å; L292-W332 HydrophobicContact CB-CZ2 4.35Å; L292-W332 HydrophobicContact CD1-CZ2 4.22Å; L292-W332 HydrophobicContact CD2-CH2 3.95Å; L292-W332 HydrophobicContact CD2-CZ2 4.13Å; L292-W332 HydrophobicContact CG-CH2 4.46Å; L292-W332 HydrophobicContact CG-CZ2 4.47Å
293	T	95.4	Very high	93.6	Very high	103 Å²	103	59.9 Å²	59.9	63%	0.632	29%	0.29	S	S	*	.	H	α-helix	trans	-61.6	-39.3	178.9	-48	0	0	0	0	112.7	N291 K297	N291-T293 VanDerWaalsContact C-N 3.27Å; N291-T293 PolarHBondContact O-N 3.33Å; N291-T293 WeakPolarHBondContact OD1-CB 3.33Å; N291-T293 PolarHBondContact OD1-N 3.32Å; T293-K297 PolarHBondContact O-N 3.01Å; T293-K297 VanDerWaalsContact O-N 3.13Å
294	K	95.8	Very high	93.7	Very high	67 Å²	67	53 Å²	53	29%	0.291	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-45.4	175.6	-76.7	-171	-179.1	-169.4	0	111.4	V246 E250 N291 L292 K297 F298	V246-K294 HydrophobicContact CG1-CB 4.24Å; V246-K294 HydrophobicContact CG1-CD 3.88Å; E250-K294 WeakPolarHBondContact OE1-CE 3.47Å; E250-K294 IonicContact OE1-NZ 3.81Å; E250-K294 PolarHBondContact OE1-NZ 3.25Å; E250-K294 IonicContact OE2-NZ 2.86Å; E250-K294 PolarHBondContact OE2-NZ 2.82Å; N291-K294 HydrophobicContact CB-CG 4.5Å; N291-K294 PolarHBondContact O-N 3.47Å; N291-K294 PolarHBondContact OD1-N 2.72Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 2.69Å; K294-K297 WeakPolarHBondContact O-CB 3.46Å; K294-K297 PolarHBondContact O-N 3.39Å; K294-F298 HydrophobicContact CB-CE2 4.34Å; K294-F298 HydrophobicContact CB-CZ 4.39Å; K294-F298 WeakPolarHBondContact O-CD2 3.48Å; K294-F298 VanDerWaalsContact O-CG 3.26Å; K294-F298 WeakPolarHBondContact O-CG 3.3Å; K294-F298 PolarHBondContact O-N 2.89Å
295	I	96.4	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-43.8	-179.3	-60.1	172.4	0	0	0	110.5	V242 V246 M267 L271 L292 K297 F298 F299	V242-I295 HydrophobicContact CG1-CD1 3.7Å; V246-I295 HydrophobicContact CG2-CD1 3.94Å; V246-I295 HydrophobicContact CG2-CG1 3.63Å; M267-I295 HydrophobicContact CB-CG2 4.36Å; M267-I295 HydrophobicContact SD-CG1 4.19Å; L271-I295 HydrophobicContact CD1-CD1 3.78Å; L271-I295 HydrophobicContact CD1-CG2 3.98Å; L271-I295 HydrophobicContact CD2-CD1 4.35Å; L271-I295 HydrophobicContact CG-CD1 4.27Å; L292-I295 PolarHBondContact O-N 3.19Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.5Å; I295-F298 PolarHBondContact O-N 3.4Å; I295-F298 VanDerWaalsContact O-N 3.17Å; I295-F299 HydrophobicContact CG2-CD1 4.35Å; I295-F299 HydrophobicContact CG2-CD2 4.3Å; I295-F299 HydrophobicContact CG2-CE1 4.13Å; I295-F299 HydrophobicContact CG2-CE2 4.08Å; I295-F299 HydrophobicContact CG2-CG 4.43Å; I295-F299 HydrophobicContact CG2-CZ 4Å; I295-F299 PolarHBondContact O-N 2.83Å
296	D	94.9	Very high	93.8	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-55.7	-45.5	173.7	-177.5	63.4	0	0	0	111.5	L292 F298 F299 K300 W332 T333 C334	L292-D296 WeakPolarHBondContact O-CB 3.28Å; L292-D296 PolarHBondContact O-N 3.42Å; D296-F298 PolarHBondContact O-N 3.18Å; D296-F299 PolarHBondContact O-N 3.08Å; D296-K300 VanDerWaalsContact O-CB 3.3Å; D296-K300 WeakPolarHBondContact O-CB 3.49Å; D296-K300 PolarHBondContact O-N 3.28Å; D296-W332 HydrophobicContact CB-CE3 3.71Å; D296-W332 HydrophobicContact CB-CZ3 3.85Å; D296-W332 WeakPolarHBondContact OD1-CA 3.5Å; D296-T333 PolarHBondContact OD1-N 3.5Å; D296-T333 WeakPolarHBondContact OD2-CB 3.31Å; D296-T333 PolarHBondContact OD2-N 3.4Å; D296-T333 PolarHBondContact OD2-OG1 2.6Å; D296-C334 WeakPolarHBondContact OD1-CB 3.5Å; D296-C334 PolarHBondContact OD1-N 2.98Å; D296-C334 PolarHBondContact OD1-SG 3.01Å
297	K	93.9	Very high	93.9	Very high	139 Å²	139	49.3 Å²	49.3	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-61.3	-44.9	176.7	-175.6	-176.2	175.3	-174.3	0	111.9	T293 K294 I295 K300 Q301	T293-K297 PolarHBondContact O-N 3.01Å; T293-K297 VanDerWaalsContact O-N 3.13Å; K294-K297 WeakPolarHBondContact O-CB 3.46Å; K294-K297 PolarHBondContact O-N 3.39Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.5Å; K297-K300 PolarHBondContact O-N 3.3Å; K297-Q301 WeakPolarHBondContact O-CB 3.23Å; K297-Q301 PolarHBondContact O-N 3Å
298	F	94.9	Very high	94	Very high	16 Å²	16	42.4 Å²	42.4	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-45.3	179.4	-60.5	-23.8	0	0	0	111.7	V246 Y249 E250 L264 M267 K294 I295 D296 K300 Q301 L302	V246-F298 HydrophobicContact CG1-CE2 4.11Å; Y249-F298 HydrophobicContact CD1-CB 4.37Å; Y249-F298 AromaticContact CD1-CD1 3.79Å; Y249-F298 HydrophobicContact CD1-CD1 3.79Å; Y249-F298 AromaticContact CD1-CD2 3.63Å; Y249-F298 HydrophobicContact CD1-CD2 3.63Å; Y249-F298 AromaticContact CD1-CE1 3.9Å; Y249-F298 HydrophobicContact CD1-CE1 3.9Å; Y249-F298 AromaticContact CD1-CE2 3.73Å; Y249-F298 HydrophobicContact CD1-CE2 3.73Å; Y249-F298 AromaticContact CD1-CG 3.67Å; Y249-F298 HydrophobicContact CD1-CG 3.67Å; Y249-F298 AromaticContact CD1-CZ 3.87Å; Y249-F298 HydrophobicContact CD1-CZ 3.87Å; Y249-F298 HydrophobicContact CE1-CB 4.04Å; Y249-F298 AromaticContact CE1-CD1 3.67Å; Y249-F298 HydrophobicContact CE1-CD1 3.67Å; Y249-F298 HydrophobicContact CE1-CD2 4.15Å; Y249-F298 HydrophobicContact CE1-CE1 4.13Å; Y249-F298 AromaticContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CG-CD2 4.42Å; Y249-F298 HydrophobicContact CG-CE2 4.48Å; E250-F298 HydrophobicContact CB-CZ 4.08Å; L264-F298 HydrophobicContact CD2-CB 4.02Å; M267-F298 HydrophobicContact CE-CD2 4.35Å; M267-F298 HydrophobicContact SD-CD2 4.13Å; K294-F298 HydrophobicContact CB-CE2 4.34Å; K294-F298 HydrophobicContact CB-CZ 4.39Å; K294-F298 WeakPolarHBondContact O-CD2 3.48Å; K294-F298 VanDerWaalsContact O-CG 3.26Å; K294-F298 WeakPolarHBondContact O-CG 3.3Å; K294-F298 PolarHBondContact O-N 2.89Å; I295-F298 PolarHBondContact O-N 3.4Å; I295-F298 VanDerWaalsContact O-N 3.17Å; D296-F298 PolarHBondContact O-N 3.18Å; F298-K300 VanDerWaalsContact C-N 3.29Å; F298-K300 PolarHBondContact O-N 3.45Å; F298-Q301 PolarHBondContact O-N 3.34Å; F298-L302 PolarHBondContact O-N 2.93Å
299	F	94.2	Very high	94.1	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-68.2	-29	178.2	-75.3	8.9	0	0	0	112.7	L264 M267 I295 D296 L302 Q303 L315 I319 C334	L264-F299 HydrophobicContact CB-CE1 4.19Å; L264-F299 HydrophobicContact CD2-CD1 4.33Å; L264-F299 HydrophobicContact CD2-CE1 4.16Å; M267-F299 HydrophobicContact CB-CE1 4.38Å; M267-F299 HydrophobicContact CB-CZ 4.24Å; I295-F299 HydrophobicContact CG2-CD1 4.35Å; I295-F299 HydrophobicContact CG2-CD2 4.3Å; I295-F299 HydrophobicContact CG2-CE1 4.13Å; I295-F299 HydrophobicContact CG2-CE2 4.08Å; I295-F299 HydrophobicContact CG2-CG 4.43Å; I295-F299 HydrophobicContact CG2-CZ 4Å; I295-F299 PolarHBondContact O-N 2.83Å; D296-F299 PolarHBondContact O-N 3.08Å; F299-L302 CarbonylContact C-O 3.52Å; F299-L302 WeakPolarHBondContact CA-O 3.29Å; F299-L302 CarbonylContact O-C 3.32Å; F299-L302 VanDerWaalsContact O-C 3.28Å; F299-L302 VanDerWaalsContact O-O 3.12Å; F299-Q303 VanDerWaalsContact O-CA 3.26Å; F299-Q303 WeakPolarHBondContact O-CA 3.32Å; F299-Q303 WeakPolarHBondContact O-CG 3.24Å; F299-Q303 PolarHBondContact O-N 3.39Å; F299-L315 HydrophobicContact CD1-CB 3.92Å; F299-L315 HydrophobicContact CD1-CD1 3.8Å; F299-L315 HydrophobicContact CD1-CG 4.4Å; F299-L315 HydrophobicContact CD2-CB 3.81Å; F299-L315 HydrophobicContact CE1-CB 3.95Å; F299-L315 HydrophobicContact CE1-CD1 3.89Å; F299-L315 HydrophobicContact CE1-CD2 4.25Å; F299-L315 HydrophobicContact CE1-CG 4.26Å; F299-L315 HydrophobicContact CE2-CB 3.84Å; F299-L315 WeakPolarHBondContact CE2-O 3.29Å; F299-L315 HydrophobicContact CG-CB 3.85Å; F299-L315 HydrophobicContact CG-CD1 4.44Å; F299-L315 HydrophobicContact CZ-CB 3.9Å; F299-L315 HydrophobicContact CZ-CD2 4.28Å; F299-L315 HydrophobicContact CZ-CG 4.49Å; F299-I319 HydrophobicContact CD2-CG1 4.29Å; F299-I319 HydrophobicContact CE2-CD1 4.38Å; F299-I319 HydrophobicContact CE2-CG1 4.24Å; F299-C334 HydrophobicContact CB-CB 3.74Å
300	K	90.9	Very high	94.2	Very high	82 Å²	82	31.7 Å²	31.7	36%	0.357	16%	0.158	S	C	.	.	H	α-helix	trans	-71.3	-36.7	172.9	-173	171	-170.3	170.1	0	112.3	D296 K297 F298 T333 C334	D296-K300 VanDerWaalsContact O-CB 3.3Å; D296-K300 WeakPolarHBondContact O-CB 3.49Å; D296-K300 PolarHBondContact O-N 3.28Å; K297-K300 PolarHBondContact O-N 3.3Å; F298-K300 VanDerWaalsContact C-N 3.29Å; F298-K300 PolarHBondContact O-N 3.45Å; K300-T333 WeakPolarHBondContact CD-OG1 3.29Å; K300-T333 PolarHBondContact NZ-OG1 3.44Å; K300-C334 HydrophobicContact CB-CB 4.02Å
301	Q	90.4	Very high	94.2	Very high	92 Å²	92	31.8 Å²	31.8	43%	0.43	16%	0.159	S	C	.	.	H	α-helix	trans	-69.7	-50.1	178.8	-157.6	-163.5	-41.1	0	0	110.8	K297 F298 S340 Q342	K297-Q301 WeakPolarHBondContact O-CB 3.23Å; K297-Q301 PolarHBondContact O-N 3Å; F298-Q301 PolarHBondContact O-N 3.34Å; Q301-S340 PolarHBondContact O-OG 3.39Å; Q301-Q342 PolarHBondContact O-OE1 3.31Å; Q301-Q342 VanDerWaalsContact O-OE1 3.06Å
302	L	92.3	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-124.5	104.4	177.3	178.6	55.7	0	0	0	109	L264 F298 F299 V304 V305 L315 Y343 E410	L264-L302 HydrophobicContact CD1-CB 4.39Å; L264-L302 HydrophobicContact CD1-CD2 3.61Å; L264-L302 HydrophobicContact CD1-CG 4.11Å; F298-L302 PolarHBondContact O-N 2.93Å; F299-L302 CarbonylContact C-O 3.52Å; F299-L302 WeakPolarHBondContact CA-O 3.29Å; F299-L302 CarbonylContact O-C 3.32Å; F299-L302 VanDerWaalsContact O-C 3.28Å; F299-L302 VanDerWaalsContact O-O 3.12Å; L302-V304 WeakPolarHBondContact CD1-O 3.49Å; L302-V305 HydrophobicContact CD1-CG1 4.18Å; L302-V305 HydrophobicContact CD2-CG1 3.77Å; L302-V305 HydrophobicContact CG-CG1 3.85Å; L302-L315 WeakPolarHBondContact O-CD1 3.46Å; L302-Y343 HydrophobicContact CD1-CE1 4.33Å; L302-E410 HydrophobicContact CD1-CB 4.07Å; L302-E410 HydrophobicContact CD1-CG 3.72Å; L302-E410 HydrophobicContact CD2-CG 4.29Å
303	Q	91.7	Very high	94.2	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.037	15%	0.147	C	C	.	.			trans	-89.7	-34.3	-172	-66.7	172.7	-12.1	0	0	113.7	F299 L315 Y343	F299-Q303 VanDerWaalsContact O-CA 3.26Å; F299-Q303 WeakPolarHBondContact O-CA 3.32Å; F299-Q303 WeakPolarHBondContact O-CG 3.24Å; F299-Q303 PolarHBondContact O-N 3.39Å; Q303-L315 WeakPolarHBondContact O-CB 3.26Å; Q303-L315 PolarHBondContact O-N 2.87Å; Q303-Y343 PolarHBondContact N-OH 2.9Å
304	V	93.6	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.7	-171.2	-165.9	0	0	0	0	108.9	L302 Q312 I313 Y343 S413 V417	L302-V304 WeakPolarHBondContact CD1-O 3.49Å; V304-Q312 HydrophobicContact CG1-CB 3.96Å; V304-I313 WeakPolarHBondContact CA-O 3.42Å; V304-Y343 PolarHBondContact N-OH 2.91Å; V304-S413 WeakPolarHBondContact CG1-OG 3.4Å; V304-V417 HydrophobicContact CB-CG2 4.26Å; V304-V417 HydrophobicContact CG1-CG1 4.01Å; V304-V417 HydrophobicContact CG1-CG2 3.7Å; V304-V417 HydrophobicContact CG2-CG2 3.61Å
305	V	94.7	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.8	175.2	-64.4	0	0	0	0	110.7	H261 L264 K265 L302 L307 I313 L315 S413	H261-V305 HydrophobicContact CB-CB 4.06Å; H261-V305 HydrophobicContact CB-CG1 4.22Å; H261-V305 HydrophobicContact CB-CG2 4.42Å; L264-V305 HydrophobicContact CD1-CG1 4.43Å; K265-V305 HydrophobicContact CD-CG2 4.21Å; K265-V305 HydrophobicContact CG-CG2 3.88Å; L302-V305 HydrophobicContact CD1-CG1 4.18Å; L302-V305 HydrophobicContact CD2-CG1 3.77Å; L302-V305 HydrophobicContact CG-CG1 3.85Å; V305-L307 PolarHBondContact O-N 3.01Å; V305-I313 HydrophobicContact CG2-CG2 3.74Å; V305-I313 PolarHBondContact N-O 3.08Å; V305-I313 WeakPolarHBondContact O-CG2 3.45Å; V305-I313 PolarHBondContact O-N 3.47Å; V305-L315 HydrophobicContact CG1-CD1 4.36Å; V305-L315 HydrophobicContact CG2-CD1 4.34Å; V305-L315 HydrophobicContact CG2-CD2 3.94Å; V305-L315 HydrophobicContact CG2-CG 4.22Å; V305-S413 VanDerWaalsContact C-OG 3.32Å
306	P	96	Very high	93.9	Very high	33 Å²	33	24.6 Å²	24.6	21%	0.214	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.7	173.6	-23.1	34.6	0	0	0	112.8	K265	K265-P306 PolarHBondContact NZ-O 3.24Å
307	L	94.4	Very high	93.8	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.052	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-58.5	170	-174.5	55.7	0	0	0	109.7	V170 E173 K265 V305 M311 I313	V170-L307 HydrophobicContact CG2-CD1 3.59Å; V170-L307 HydrophobicContact CG2-CG 4.12Å; E173-L307 HydrophobicContact CB-CD2 3.86Å; E173-L307 HydrophobicContact CG-CD2 3.9Å; K265-L307 HydrophobicContact CD-CD1 4Å; V305-L307 PolarHBondContact O-N 3.01Å; L307-M311 HydrophobicContact CB-CE 4.45Å; L307-M311 WeakPolarHBondContact CB-O 3.41Å; L307-M311 HydrophobicContact CD2-CE 3.75Å; L307-M311 HydrophobicContact CG-CE 4.07Å; L307-M311 PolarHBondContact N-O 2.93Å; L307-I313 HydrophobicContact CB-CB 4.03Å; L307-I313 HydrophobicContact CB-CG2 3.99Å; L307-I313 HydrophobicContact CD1-CG2 4.34Å; L307-I313 HydrophobicContact CD2-CB 4.31Å
308	F	95.7	Very high	93.8	Very high	16 Å²	16	23.8 Å²	23.8	7%	0.07	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	127.8	174.8	-166.1	-79.5	0	0	0	110.6	A80 V81 Y84 V170 L174 D310 M311 F682	A80-F308 HydrophobicContact CB-CD2 4.02Å; A80-F308 HydrophobicContact CB-CE2 3.46Å; A80-F308 VanDerWaalsContact CB-CE2 3.46Å; A80-F308 HydrophobicContact CB-CZ 3.95Å; V81-F308 HydrophobicContact CG2-CZ 3.95Å; Y84-F308 VanDerWaalsContact CB-CE1 3.4Å; Y84-F308 HydrophobicContact CD1-CD1 4.24Å; Y84-F308 AromaticContact CD1-CE1 3.8Å; Y84-F308 HydrophobicContact CD1-CE1 3.8Å; Y84-F308 AromaticContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CE1 4.12Å; Y84-F308 HydrophobicContact CE2-CD1 4.41Å; Y84-F308 AromaticContact CG-CD1 3.67Å; Y84-F308 HydrophobicContact CG-CD1 3.67Å; Y84-F308 AromaticContact CG-CE1 3.51Å; Y84-F308 HydrophobicContact CG-CE1 3.51Å; V170-F308 HydrophobicContact CG1-CB 4.1Å; V170-F308 HydrophobicContact CG1-CD2 3.74Å; V170-F308 HydrophobicContact CG1-CG 4.22Å; L174-F308 HydrophobicContact CD1-CB 4.38Å; L174-F308 HydrophobicContact CD1-CD1 4.13Å; L174-F308 HydrophobicContact CD1-CD2 4.35Å; L174-F308 HydrophobicContact CD1-CG 4.04Å; L174-F308 HydrophobicContact CD2-CB 4.46Å; L174-F308 HydrophobicContact CD2-CD1 4.27Å; F308-D310 PolarHBondContact O-N 3.29Å; F308-M311 HydrophobicContact CB-CE 4.39Å; F308-M311 PolarHBondContact N-O 3.44Å; F308-M311 VanDerWaalsContact N-O 3.09Å; F308-M311 VanDerWaalsContact O-CB 3.25Å; F308-M311 WeakPolarHBondContact O-CB 3.49Å; F308-M311 PolarHBondContact O-N 2.94Å; F308-F682 AromaticContact CE1-CE1 3.91Å; F308-F682 HydrophobicContact CE1-CE1 3.91Å; F308-F682 HydrophobicContact CE1-CZ 4.49Å; F308-F682 HydrophobicContact CZ-CE1 4.12Å
309	G	93.9	Very high	93.8	Very high	7 Å²	7	23 Å²	23	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-136.4	-177.7	0	0	0	0	0	112.6	M311 Q312	G309-M311 VanDerWaalsContact C-N 3.26Å; G309-M311 PolarHBondContact O-N 2.68Å; G309-Q312 PolarHBondContact O-NE2 3.21Å
310	D	94.9	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.4	171.3	64.9	-44.2	0	0	0	114	Y84 F308 Q312 L416 F623 R624 E625 F626 F627	Y84-D310 WeakPolarHBondContact CE2-OD1 3.29Å; Y84-D310 PolarHBondContact OH-N 2.84Å; Y84-D310 PolarHBondContact OH-OD1 3.4Å; F308-D310 PolarHBondContact O-N 3.29Å; D310-Q312 PolarHBondContact O-N 3.48Å; D310-Q312 PolarHBondContact O-NE2 3.41Å; D310-L416 HydrophobicContact CB-CD1 4.41Å; D310-F623 WeakPolarHBondContact CB-O 3.44Å; D310-R624 WeakPolarHBondContact OD2-CA 3.22Å; D310-E625 PolarHBondContact OD1-N 3.48Å; D310-F626 VanDerWaalsContact OD1-CB 3.31Å; D310-F626 WeakPolarHBondContact OD1-CB 3.48Å; D310-F626 PolarHBondContact OD1-N 2.83Å; D310-F626 WeakPolarHBondContact OD2-CB 3.37Å; D310-F626 PolarHBondContact OD2-N 2.91Å; D310-F626 VanDerWaalsContact OD2-N 3.15Å; D310-F627 HydrophobicContact CB-CD2 4.41Å; D310-F627 WeakPolarHBondContact OD2-CD2 3.29Å; D310-F627 PolarHBondContact OD2-N 3.39Å
311	M	95.1	Very high	93.8	Very high	9 Å²	9	26 Å²	26	4%	0.044	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.3	173.1	-168.3	177.6	62.6	0	0	110.4	E173 L174 M177 L307 F308 G309 F626	E173-M311 HydrophobicContact CB-CE 3.87Å; E173-M311 HydrophobicContact CB-SD 4.12Å; L174-M311 HydrophobicContact CD2-CE 3.56Å; L174-M311 HydrophobicContact CD2-SD 4.31Å; L174-M311 HydrophobicContact CG-CE 3.71Å; M177-M311 HydrophobicContact CG-SD 4.12Å; L307-M311 HydrophobicContact CB-CE 4.45Å; L307-M311 WeakPolarHBondContact CB-O 3.41Å; L307-M311 HydrophobicContact CD2-CE 3.75Å; L307-M311 HydrophobicContact CG-CE 4.07Å; L307-M311 PolarHBondContact N-O 2.93Å; F308-M311 HydrophobicContact CB-CE 4.39Å; F308-M311 PolarHBondContact N-O 3.44Å; F308-M311 VanDerWaalsContact N-O 3.09Å; F308-M311 VanDerWaalsContact O-CB 3.25Å; F308-M311 WeakPolarHBondContact O-CB 3.49Å; F308-M311 PolarHBondContact O-N 2.94Å; G309-M311 VanDerWaalsContact C-N 3.26Å; G309-M311 PolarHBondContact O-N 2.68Å; M311-F626 HydrophobicContact CB-CB 4.09Å; M311-F626 HydrophobicContact CB-CD2 4.16Å; M311-F626 HydrophobicContact CB-CG 4.05Å; M311-F626 HydrophobicContact CG-CD2 3.91Å; M311-F626 HydrophobicContact CG-CE2 4.14Å; M311-F626 HydrophobicContact CG-CG 4.24Å; M311-F626 HydrophobicContact SD-CD2 4.15Å; M311-F626 HydrophobicContact SD-CE2 4.4Å
312	Q	94.9	Very high	93.9	Very high	24 Å²	24	22 Å²	22	11%	0.112	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	161.1	-178.4	-47.1	-51.5	-52.4	0	0	111.1	V304 G309 D310 S413 L416 V417	V304-Q312 HydrophobicContact CG1-CB 3.96Å; G309-Q312 PolarHBondContact O-NE2 3.21Å; D310-Q312 PolarHBondContact O-N 3.48Å; D310-Q312 PolarHBondContact O-NE2 3.41Å; Q312-S413 VanDerWaalsContact OE1-CB 3.24Å; Q312-S413 PolarHBondContact OE1-OG 3.5Å; Q312-L416 HydrophobicContact CG-CB 4Å; Q312-L416 HydrophobicContact CG-CD1 3.96Å; Q312-V417 HydrophobicContact CB-CG1 3.57Å; Q312-V417 HydrophobicContact CG-CG1 4.03Å
313	I	94.1	Very high	94	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.4	170.6	-177	62.3	0	0	0	110.6	K265 V304 V305 L307 L315 Y318	K265-I313 HydrophobicContact CD-CG2 4.02Å; K265-I313 HydrophobicContact CG-CG2 4.05Å; V304-I313 WeakPolarHBondContact CA-O 3.42Å; V305-I313 HydrophobicContact CG2-CG2 3.74Å; V305-I313 PolarHBondContact N-O 3.08Å; V305-I313 WeakPolarHBondContact O-CG2 3.45Å; V305-I313 PolarHBondContact O-N 3.47Å; L307-I313 HydrophobicContact CB-CB 4.03Å; L307-I313 HydrophobicContact CB-CG2 3.99Å; L307-I313 HydrophobicContact CD1-CG2 4.34Å; L307-I313 HydrophobicContact CD2-CB 4.31Å; I313-L315 PolarHBondContact O-N 3.25Å; I313-Y318 HydrophobicContact CD1-CE2 4.08Å; I313-Y318 HydrophobicContact CG1-CE2 3.68Å
314	E	94.1	Very high	94.1	Very high	58 Å²	58	27.3 Å²	27.3	27%	0.271	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	111.4	165.6	-169.1	-167	160.2	0	0	108.1	S316 R317 K320	E314-S316 PolarHBondContact O-N 3.25Å; E314-S316 PolarHBondContact OE1-OG 3.34Å; E314-R317 HydrophobicContact CB-CB 4.46Å; E314-R317 WeakPolarHBondContact O-CB 3.43Å; E314-R317 PolarHBondContact O-N 3.17Å; E314-K320 IonicContact OE1-NZ 3.41Å; E314-K320 PolarHBondContact OE1-NZ 3.1Å
315	L	94.1	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-31.7	-173.7	-66.1	169.8	0	0	0	112.3	L264 K265 F299 L302 Q303 V305 I313 R317 Y318	L264-L315 HydrophobicContact CB-CD1 3.84Å; L264-L315 HydrophobicContact CB-CD2 4.17Å; L264-L315 HydrophobicContact CD1-CD1 4.04Å; L264-L315 HydrophobicContact CG-CD1 4.48Å; K265-L315 HydrophobicContact CG-CD2 4.36Å; F299-L315 HydrophobicContact CD1-CB 3.92Å; F299-L315 HydrophobicContact CD1-CD1 3.8Å; F299-L315 HydrophobicContact CD1-CG 4.4Å; F299-L315 HydrophobicContact CD2-CB 3.81Å; F299-L315 HydrophobicContact CE1-CB 3.95Å; F299-L315 HydrophobicContact CE1-CD1 3.89Å; F299-L315 HydrophobicContact CE1-CD2 4.25Å; F299-L315 HydrophobicContact CE1-CG 4.26Å; F299-L315 HydrophobicContact CE2-CB 3.84Å; F299-L315 WeakPolarHBondContact CE2-O 3.29Å; F299-L315 HydrophobicContact CG-CB 3.85Å; F299-L315 HydrophobicContact CG-CD1 4.44Å; F299-L315 HydrophobicContact CZ-CB 3.9Å; F299-L315 HydrophobicContact CZ-CD2 4.28Å; F299-L315 HydrophobicContact CZ-CG 4.49Å; L302-L315 WeakPolarHBondContact O-CD1 3.46Å; Q303-L315 WeakPolarHBondContact O-CB 3.26Å; Q303-L315 PolarHBondContact O-N 2.87Å; V305-L315 HydrophobicContact CG1-CD1 4.36Å; V305-L315 HydrophobicContact CG2-CD1 4.34Å; V305-L315 HydrophobicContact CG2-CD2 3.94Å; V305-L315 HydrophobicContact CG2-CG 4.22Å; I313-L315 PolarHBondContact O-N 3.25Å; L315-R317 PolarHBondContact O-N 3.42Å; L315-Y318 PolarHBondContact O-N 3.38Å
316	S	92.9	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-20	176.4	93.8	0	0	0	0	113	E314 Y318 I319 K320	E314-S316 PolarHBondContact O-N 3.25Å; E314-S316 PolarHBondContact OE1-OG 3.34Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 2.91Å; S316-I319 WeakPolarHBondContact O-CB 3.4Å; S316-I319 PolarHBondContact O-N 3.24Å; S316-I319 VanDerWaalsContact O-N 3.14Å; S316-K320 WeakPolarHBondContact O-CG 3.2Å; S316-K320 PolarHBondContact O-N 3.05Å; S316-K320 WeakPolarHBondContact OG-CE 3.42Å; S316-K320 PolarHBondContact OG-NZ 3.44Å
317	R	93.4	Very high	93.8	Very high	122 Å²	122	40.1 Å²	40.1	46%	0.46	20%	0.201	S	C	.	.	H	α-helix	trans	-58.3	-45.2	177.5	-176.5	-179.3	170.6	98.9	-6.1	111.3	E314 L315 I319 K320 T321	E314-R317 HydrophobicContact CB-CB 4.46Å; E314-R317 WeakPolarHBondContact O-CB 3.43Å; E314-R317 PolarHBondContact O-N 3.17Å; L315-R317 PolarHBondContact O-N 3.42Å; R317-I319 PolarHBondContact O-N 3.46Å; R317-K320 PolarHBondContact O-N 2.86Å; R317-K320 VanDerWaalsContact O-N 3.15Å; R317-T321 HydrophobicContact CG-CG2 4.35Å; R317-T321 PolarHBondContact O-N 2.87Å; R317-T321 PolarHBondContact O-OG1 3.17Å
318	Y	94.3	Very high	93.8	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-35.6	178.2	-68.5	-58.1	0	0	0	112.7	G268 F269 Y272 I313 L315 S316 S322	G268-Y318 WeakPolarHBondContact O-CB 3.47Å; F269-Y318 HydrophobicContact CB-CD1 4.28Å; F269-Y318 HydrophobicContact CB-CE1 3.88Å; F269-Y318 HydrophobicContact CB-CE2 4.38Å; F269-Y318 AromaticContact CD2-CD1 3.89Å; F269-Y318 HydrophobicContact CD2-CD1 3.89Å; F269-Y318 AromaticContact CD2-CE1 3.5Å; F269-Y318 HydrophobicContact CD2-CE1 3.5Å; F269-Y318 HydrophobicContact CE2-CE1 4.36Å; F269-Y318 AromaticContact CG-CE1 3.99Å; F269-Y318 HydrophobicContact CG-CE1 3.99Å; Y272-Y318 HydrophobicContact CG-CD1 4.45Å; I313-Y318 HydrophobicContact CD1-CE2 4.08Å; I313-Y318 HydrophobicContact CG1-CE2 3.68Å; L315-Y318 PolarHBondContact O-N 3.38Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 2.91Å; Y318-S322 PolarHBondContact O-N 3.05Å
319	I	94.4	Very high	93.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-74	-49	176.8	-52.7	-52.9	0	0	0	110.3	L271 F299 S316 R317 T321 S322 F325 W332 T335	L271-I319 HydrophobicContact CD1-CD1 3.88Å; F299-I319 HydrophobicContact CD2-CG1 4.29Å; F299-I319 HydrophobicContact CE2-CD1 4.38Å; F299-I319 HydrophobicContact CE2-CG1 4.24Å; S316-I319 WeakPolarHBondContact O-CB 3.4Å; S316-I319 PolarHBondContact O-N 3.24Å; S316-I319 VanDerWaalsContact O-N 3.14Å; R317-I319 PolarHBondContact O-N 3.46Å; I319-T321 PolarHBondContact O-N 3.41Å; I319-S322 PolarHBondContact O-N 3.24Å; I319-S322 VanDerWaalsContact O-N 3.14Å; I319-S322 PolarHBondContact O-OG 3.4Å; I319-F325 HydrophobicContact CG2-CD2 3.84Å; I319-F325 HydrophobicContact CG2-CE2 3.99Å; I319-F325 VanDerWaalsContact O-CB 3.3Å; I319-F325 WeakPolarHBondContact O-CB 3.39Å; I319-F325 WeakPolarHBondContact O-CD2 3.33Å; I319-F325 WeakPolarHBondContact O-CG 3.48Å; I319-W332 HydrophobicContact CD1-CH2 3.67Å; I319-W332 HydrophobicContact CD1-CZ2 4Å; I319-W332 HydrophobicContact CD1-CZ3 4.04Å; I319-W332 HydrophobicContact CG1-CE3 4.36Å; I319-W332 HydrophobicContact CG1-CH2 4.22Å; I319-W332 HydrophobicContact CG1-CZ3 4.14Å; I319-W332 HydrophobicContact CG2-CD2 3.49Å; I319-W332 VanDerWaalsContact CG2-CD2 3.49Å; I319-W332 HydrophobicContact CG2-CE3 3.99Å; I319-W332 HydrophobicContact CG2-CG 3.79Å; I319-W332 HydrophobicContact CG2-CH2 4.29Å; I319-W332 HydrophobicContact CG2-CZ2 3.82Å; I319-W332 HydrophobicContact CG2-CZ3 4.36Å; I319-T335 HydrophobicContact CG2-CG2 4.44Å
320	K	92.9	Very high	93.3	Very high	72 Å²	72	50.3 Å²	50.3	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-30.6	-179.3	-70.1	168.4	-178.6	168.3	0	112.6	E314 S316 R317 F325 T335	E314-K320 IonicContact OE1-NZ 3.41Å; E314-K320 PolarHBondContact OE1-NZ 3.1Å; S316-K320 WeakPolarHBondContact O-CG 3.2Å; S316-K320 PolarHBondContact O-N 3.05Å; S316-K320 WeakPolarHBondContact OG-CE 3.42Å; S316-K320 PolarHBondContact OG-NZ 3.44Å; R317-K320 PolarHBondContact O-N 2.86Å; R317-K320 VanDerWaalsContact O-N 3.15Å; K320-F325 HydrophobicContact CB-CE1 4.38Å; K320-F325 HydrophobicContact CG-CE1 4.33Å; K320-F325 HydrophobicContact CG-CZ 4.23Å; K320-F325 WeakPolarHBondContact O-CD1 3.21Å; K320-T335 HydrophobicContact CG-CG2 3.96Å
321	T	92	Very high	93	Very high	73 Å²	73	54.7 Å²	54.7	45%	0.448	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2.9	-178.9	60	0	0	0	0	114.2	Y272 R317 I319	Y272-T321 WeakPolarHBondContact CE2-O 3.28Å; R317-T321 HydrophobicContact CG-CG2 4.35Å; R317-T321 PolarHBondContact O-N 2.87Å; R317-T321 PolarHBondContact O-OG1 3.17Å; I319-T321 PolarHBondContact O-N 3.41Å
322	S	93.1	Very high	92.8	Very high	9 Å²	9	54.9 Å²	54.9	6%	0.063	28%	0.278	C	S	.	.	S	Bend	trans	-70.5	152.9	179.3	93.8	0	0	0	0	111.5	D275 Y318 I319 H324 F325	D275-S322 VanDerWaalsContact OD2-CB 3.29Å; D275-S322 WeakPolarHBondContact OD2-CB 3.35Å; D275-S322 PolarHBondContact OD2-OG 3.37Å; Y318-S322 PolarHBondContact O-N 3.05Å; I319-S322 PolarHBondContact O-N 3.24Å; I319-S322 VanDerWaalsContact O-N 3.14Å; I319-S322 PolarHBondContact O-OG 3.4Å; S322-H324 VanDerWaalsContact C-N 3.27Å; S322-H324 PolarHBondContact O-N 3.25Å; S322-F325 PolarHBondContact O-N 3.33Å
323	A	92.8	Very high	92.6	Very high	69 Å²	69	56.6 Å²	56.6	57%	0.57	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.6	-170	0	0	0	0	0	113.9	D275	D275-A323 VanDerWaalsContact O-CB 3.32Å; D275-A323 WeakPolarHBondContact O-CB 3.18Å; D275-A323 PolarHBondContact OD2-N 3.08Å
324	H	95	Very high	92.3	Very high	49 Å²	49	56.5 Å²	56.5	23%	0.227	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	19.1	-174.8	-52.2	99.2	0	0	0	113.8	D275 G276 N280 Y282 S322 N328	D275-H324 VanDerWaalsContact CG-ND1 3.34Å; D275-H324 IonicContact OD1-CE1 3.14Å; D275-H324 IonicContact OD1-CG 2.79Å; D275-H324 IonicContact OD1-ND1 2.74Å; D275-H324 PolarHBondContact OD1-ND1 3.23Å; D275-H324 IonicContact OD2-CG 3.49Å; D275-H324 PolarHBondContact OD2-N 2.9Å; D275-H324 IonicContact OD2-ND1 3.42Å; D275-H324 PolarHBondContact OD2-ND1 3.38Å; G276-H324 PolarHBondContact O-CE1 3.45Å; G276-H324 VanDerWaalsContact O-CE1 3.26Å; N280-H324 PolarHBondContact ND2-CD2 2.65Å; N280-H324 PolarHBondContact ND2-ND1 3.39Å; Y282-H324 HydrophobicContact CD2-CB 4.08Å; Y282-H324 HydrophobicContact CE2-CB 3.8Å; Y282-H324 WeakPolarHBondContact CE2-O 3.46Å; S322-H324 VanDerWaalsContact C-N 3.27Å; S322-H324 PolarHBondContact O-N 3.25Å; H324-N328 PolarHBondContact O-ND2 2.99Å
325	F	93.6	Very high	91.9	Very high	15 Å²	15	55 Å²	55	7%	0.066	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-46.8	-176.7	173.3	-110.7	0	0	0	113.8	Y282 I319 K320 S322 E327 N328 K329 W332 T335	Y282-F325 WeakPolarHBondContact OH-CA 3.4Å; I319-F325 HydrophobicContact CG2-CD2 3.84Å; I319-F325 HydrophobicContact CG2-CE2 3.99Å; I319-F325 VanDerWaalsContact O-CB 3.3Å; I319-F325 WeakPolarHBondContact O-CB 3.39Å; I319-F325 WeakPolarHBondContact O-CD2 3.33Å; I319-F325 WeakPolarHBondContact O-CG 3.48Å; K320-F325 HydrophobicContact CB-CE1 4.38Å; K320-F325 HydrophobicContact CG-CE1 4.33Å; K320-F325 HydrophobicContact CG-CZ 4.23Å; K320-F325 WeakPolarHBondContact O-CD1 3.21Å; S322-F325 PolarHBondContact O-N 3.33Å; F325-E327 VanDerWaalsContact C-N 3.26Å; F325-E327 PolarHBondContact O-N 2.85Å; F325-N328 CarbonylContact O-C 3.53Å; F325-N328 WeakPolarHBondContact O-CA 3.32Å; F325-N328 PolarHBondContact O-N 2.78Å; F325-K329 HydrophobicContact CD1-CG 4.27Å; F325-K329 HydrophobicContact CE1-CD 4.3Å; F325-K329 VanDerWaalsContact CE1-CE 3.49Å; F325-K329 HydrophobicContact CE1-CG 3.81Å; F325-K329 HydrophobicContact CE2-CG 4.23Å; F325-K329 HydrophobicContact CZ-CG 3.78Å; F325-K329 PolarHBondContact O-N 3.3Å; F325-W332 AromaticContact CE2-CD1 3.9Å; F325-W332 HydrophobicContact CE2-CG 4.41Å; F325-T335 HydrophobicContact CE2-CG2 3.94Å; F325-T335 HydrophobicContact CZ-CG2 3.98Å
326	E	92	Very high	91.2	Very high	131 Å²	131	58.7 Å²	58.7	61%	0.612	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-55.1	-40.6	-173.8	-77.5	-64.9	142.8	0	0	113	N328 K329	E326-N328 VanDerWaalsContact C-N 3.26Å; E326-N328 PolarHBondContact O-N 2.7Å; E326-K329 WeakPolarHBondContact OE1-CE 3.32Å; E326-K329 IonicContact OE1-NZ 2.83Å; E326-K329 PolarHBondContact OE1-NZ 3.2Å; E326-K329 WeakPolarHBondContact OE2-CE 3.41Å; E326-K329 IonicContact OE2-NZ 2.77Å; E326-K329 PolarHBondContact OE2-NZ 2.89Å
327	E	92.9	Very high	89.9	Confident	157 Å²	157	64.4 Å²	64.4	73%	0.734	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19.3	178.5	-60.8	175.1	178.2	0	0	113.1	F325	F325-E327 VanDerWaalsContact C-N 3.26Å; F325-E327 PolarHBondContact O-N 2.85Å
328	N	92.8	Very high	88.4	Confident	33 Å²	33	61 Å²	61	18%	0.176	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-124.2	20.2	-169	-66.3	-83	0	0	0	113.4	Y282 H324 F325 E326 S330 K331	Y282-N328 HydrophobicContact CD1-CB 3.78Å; Y282-N328 HydrophobicContact CD2-CB 4.16Å; Y282-N328 WeakPolarHBondContact CD2-ND2 3.4Å; Y282-N328 HydrophobicContact CE1-CB 3.32Å; Y282-N328 HydrophobicContact CE2-CB 3.79Å; Y282-N328 HydrophobicContact CG-CB 4.14Å; H324-N328 PolarHBondContact O-ND2 2.99Å; F325-N328 CarbonylContact O-C 3.53Å; F325-N328 WeakPolarHBondContact O-CA 3.32Å; F325-N328 PolarHBondContact O-N 2.78Å; E326-N328 VanDerWaalsContact C-N 3.26Å; E326-N328 PolarHBondContact O-N 2.7Å; N328-S330 PolarHBondContact O-N 3.45Å; N328-S330 VanDerWaalsContact O-N 3.12Å; N328-K331 PolarHBondContact O-N 3.17Å; N328-K331 VanDerWaalsContact O-N 3.07Å
329	K	90.3	Very high	86.7	Confident	96 Å²	96	66.1 Å²	66.1	42%	0.417	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-51.6	-36.8	-179.3	-76.7	-179.8	164.1	168	0	113.8	F325 E326 K331 W332	F325-K329 HydrophobicContact CD1-CG 4.27Å; F325-K329 HydrophobicContact CE1-CD 4.3Å; F325-K329 VanDerWaalsContact CE1-CE 3.49Å; F325-K329 HydrophobicContact CE1-CG 3.81Å; F325-K329 HydrophobicContact CE2-CG 4.23Å; F325-K329 HydrophobicContact CZ-CG 3.78Å; F325-K329 PolarHBondContact O-N 3.3Å; E326-K329 WeakPolarHBondContact OE1-CE 3.32Å; E326-K329 IonicContact OE1-NZ 2.83Å; E326-K329 PolarHBondContact OE1-NZ 3.2Å; E326-K329 WeakPolarHBondContact OE2-CE 3.41Å; E326-K329 IonicContact OE2-NZ 2.77Å; E326-K329 PolarHBondContact OE2-NZ 2.89Å; K329-K331 PolarHBondContact O-N 3.19Å; K329-W332 PolarHBondContact O-N 3.08Å
330	S	89.9	Confident	85.2	Confident	118 Å²	118	66.9 Å²	66.9	83%	0.825	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16	-178	57.4	0	0	0	0	114.6	N328 W332	N328-S330 PolarHBondContact O-N 3.45Å; N328-S330 VanDerWaalsContact O-N 3.12Å; S330-W332 VanDerWaalsContact C-N 3.34Å
331	K	88.3	Confident	83.7	Confident	92 Å²	92	67.3 Å²	67.3	40%	0.4	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-79.1	-13.8	177.2	-76.8	-165.1	166.6	-161.8	0	114.1	Y282 D285 N328 K329	Y282-K331 HydrophobicContact CD1-CD 3.79Å; Y282-K331 HydrophobicContact CE1-CD 4.22Å; D285-K331 IonicContact OD2-NZ 2.66Å; D285-K331 PolarHBondContact OD2-NZ 3.28Å; N328-K331 PolarHBondContact O-N 3.17Å; N328-K331 VanDerWaalsContact O-N 3.07Å; K329-K331 PolarHBondContact O-N 3.19Å
332	W	92.2	Very high	82.8	Confident	12 Å²	12	64.6 Å²	64.6	5%	0.045	37%	0.371	C	S	.	.			trans	-113.8	132.7	-171.3	-61.7	100.3	0	0	0	111.5	L271 Y282 L292 D296 I319 F325 K329 S330 T335	L271-W332 HydrophobicContact CD1-CH2 4.16Å; Y282-W332 HydrophobicContact CE1-CZ2 4.46Å; Y282-W332 AromaticContact CE1-NE1 3.55Å; Y282-W332 AromaticContact CZ-NE1 3.83Å; Y282-W332 PolarHBondContact OH-NE1 2.95Å; L292-W332 HydrophobicContact CB-CH2 4.12Å; L292-W332 HydrophobicContact CB-CZ2 4.35Å; L292-W332 HydrophobicContact CD1-CZ2 4.22Å; L292-W332 HydrophobicContact CD2-CH2 3.95Å; L292-W332 HydrophobicContact CD2-CZ2 4.13Å; L292-W332 HydrophobicContact CG-CH2 4.46Å; L292-W332 HydrophobicContact CG-CZ2 4.47Å; D296-W332 HydrophobicContact CB-CE3 3.71Å; D296-W332 HydrophobicContact CB-CZ3 3.85Å; D296-W332 WeakPolarHBondContact OD1-CA 3.5Å; I319-W332 HydrophobicContact CD1-CH2 3.67Å; I319-W332 HydrophobicContact CD1-CZ2 4Å; I319-W332 HydrophobicContact CD1-CZ3 4.04Å; I319-W332 HydrophobicContact CG1-CE3 4.36Å; I319-W332 HydrophobicContact CG1-CH2 4.22Å; I319-W332 HydrophobicContact CG1-CZ3 4.14Å; I319-W332 HydrophobicContact CG2-CD2 3.49Å; I319-W332 VanDerWaalsContact CG2-CD2 3.49Å; I319-W332 HydrophobicContact CG2-CE3 3.99Å; I319-W332 HydrophobicContact CG2-CG 3.79Å; I319-W332 HydrophobicContact CG2-CH2 4.29Å; I319-W332 HydrophobicContact CG2-CZ2 3.82Å; I319-W332 HydrophobicContact CG2-CZ3 4.36Å; F325-W332 AromaticContact CE2-CD1 3.9Å; F325-W332 HydrophobicContact CE2-CG 4.41Å; K329-W332 PolarHBondContact O-N 3.08Å; S330-W332 VanDerWaalsContact C-N 3.34Å; W332-T335 HydrophobicContact CB-CG2 4.02Å
333	T	90.6	Very high	82.2	Confident	61 Å²	61	64.9 Å²	64.9	37%	0.374	37%	0.37	S	S	.	.	S	Bend	trans	-112.5	-17.3	174	73.7	0	0	0	0	112.5	D296 K300 T335	D296-T333 PolarHBondContact OD1-N 3.5Å; D296-T333 WeakPolarHBondContact OD2-CB 3.31Å; D296-T333 PolarHBondContact OD2-N 3.4Å; D296-T333 PolarHBondContact OD2-OG1 2.6Å; K300-T333 WeakPolarHBondContact CD-OG1 3.29Å; K300-T333 PolarHBondContact NZ-OG1 3.44Å; T333-T335 PolarHBondContact O-N 2.67Å
334	C	86.8	Confident	81.6	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.027	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.4	175.7	73.4	0	0	0	0	113.9	D296 F299 K300 S336	D296-C334 WeakPolarHBondContact OD1-CB 3.5Å; D296-C334 PolarHBondContact OD1-N 2.98Å; D296-C334 PolarHBondContact OD1-SG 3.01Å; F299-C334 HydrophobicContact CB-CB 3.74Å; K300-C334 HydrophobicContact CB-CB 4.02Å; C334-S336 VanDerWaalsContact C-N 3.34Å
335	T	85.2	Confident	81.1	Confident	28 Å²	28	62.2 Å²	62.2	17%	0.172	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-14.7	-179.5	51.1	0	0	0	0	113.5	I319 K320 F325 W332 T333	I319-T335 HydrophobicContact CG2-CG2 4.44Å; K320-T335 HydrophobicContact CG-CG2 3.96Å; F325-T335 HydrophobicContact CE2-CG2 3.94Å; F325-T335 HydrophobicContact CZ-CG2 3.98Å; W332-T335 HydrophobicContact CB-CG2 4.02Å; T333-T335 PolarHBondContact O-N 2.67Å
336	S	79.8	Confident	80.7	Confident	77 Å²	77	63.9 Å²	63.9	54%	0.538	36%	0.361	S	S	.	.	S	Bend	trans	-91	127.6	174.7	-57.6	0	0	0	0	109.8	C334 S338	C334-S336 VanDerWaalsContact C-N 3.34Å; S336-S338 PolarHBondContact O-N 3.03Å
337	I	66.5	Low	80.3	Confident	121 Å²	121	63.4 Å²	63.4	62%	0.621	36%	0.359	S	S	*	.			trans	-72.3	110.4	177.4	-56.7	171.1	0	0	0	108.1
338	S	61	Low	80.1	Confident	50 Å²	50	58.5 Å²	58.5	35%	0.35	34%	0.336	S	S	.	.			trans	-125.9	144	173.5	62.9	0	0	0	0	110.2	S336 S340	S336-S338 PolarHBondContact O-N 3.03Å; S338-S340 PolarHBondContact O-N 3.37Å
339	S	58.7	Low	80	Confident	120 Å²	120	57.3 Å²	57.3	84%	0.839	33%	0.329	S	S	*	.			trans	-62.7	99.2	174.3	55	0	0	0	0	110.7
340	S	63.3	Low	80	Confident	18 Å²	18	58 Å²	58	13%	0.126	34%	0.336	C	S	.	.			trans	-79.7	135.3	174	176.9	0	0	0	0	110	Q301 S338 Q342 Y343	Q301-S340 PolarHBondContact O-OG 3.39Å; S338-S340 PolarHBondContact O-N 3.37Å; S340-Q342 PolarHBondContact O-N 3.04Å; S340-Q342 VanDerWaalsContact O-N 3.1Å; S340-Q342 WeakPolarHBondContact OG-CB 3.46Å; S340-Q342 PolarHBondContact OG-N 3.39Å; S340-Y343 PolarHBondContact O-N 2.97Å; S340-Y343 VanDerWaalsContact O-N 3.11Å
341	P	61.6	Low	80.2	Confident	80 Å²	80	56.7 Å²	56.7	52%	0.519	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63.2	-13.6	173.9	27.1	-34.3	0	0	0	112.8	Y343 N344 Q348	P341-Y343 PolarHBondContact O-N 3.16Å; P341-N344 PolarHBondContact O-N 3.37Å; P341-Q348 PolarHBondContact O-NE2 2.95Å; P341-Q348 VanDerWaalsContact O-NE2 3.09Å
342	Q	73.3	Confident	80.4	Confident	17 Å²	17	52.6 Å²	52.6	8%	0.079	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.6	-24	173.6	-174.8	156.9	-13.1	0	0	112.9	Q301 S340 E410	Q301-Q342 PolarHBondContact O-OE1 3.31Å; Q301-Q342 VanDerWaalsContact O-OE1 3.06Å; S340-Q342 PolarHBondContact O-N 3.04Å; S340-Q342 VanDerWaalsContact O-N 3.1Å; S340-Q342 WeakPolarHBondContact OG-CB 3.46Å; S340-Q342 PolarHBondContact OG-N 3.39Å; Q342-E410 PolarHBondContact NE2-OE2 3.13Å
343	Y	79.1	Confident	80.5	Confident	15 Å²	15	57.7 Å²	57.7	6%	0.059	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-97.6	-4.5	180	-58.2	-60.8	0	0	0	113.7	L302 Q303 V304 S340 P341 I345 W414	L302-Y343 HydrophobicContact CD1-CE1 4.33Å; Q303-Y343 PolarHBondContact N-OH 2.9Å; V304-Y343 PolarHBondContact N-OH 2.91Å; S340-Y343 PolarHBondContact O-N 2.97Å; S340-Y343 VanDerWaalsContact O-N 3.11Å; P341-Y343 PolarHBondContact O-N 3.16Å; Y343-I345 PolarHBondContact O-N 2.97Å; Y343-W414 HydrophobicContact CD1-CB 3.58Å; Y343-W414 AromaticContact CD1-CD1 3.96Å; Y343-W414 HydrophobicContact CD1-CD2 4.43Å; Y343-W414 AromaticContact CD1-CG 3.7Å; Y343-W414 HydrophobicContact CD1-CG 3.7Å; Y343-W414 AromaticContact CD2-CD1 3.65Å; Y343-W414 HydrophobicContact CD2-CD2 4.35Å; Y343-W414 HydrophobicContact CD2-CG 4.02Å; Y343-W414 AromaticContact CD2-NE1 3.74Å; Y343-W414 HydrophobicContact CE1-CB 3.49Å; Y343-W414 VanDerWaalsContact CE1-CB 3.49Å; Y343-W414 AromaticContact CE1-CD1 3.66Å; Y343-W414 AromaticContact CE1-CG 3.72Å; Y343-W414 HydrophobicContact CE1-CG 3.72Å; Y343-W414 AromaticContact CE2-CD1 3.32Å; Y343-W414 HydrophobicContact CE2-CG 4.04Å; Y343-W414 AromaticContact CE2-NE1 3.64Å; Y343-W414 HydrophobicContact CG-CB 4.23Å; Y343-W414 AromaticContact CG-CD1 3.95Å; Y343-W414 HydrophobicContact CG-CD2 4.19Å; Y343-W414 AromaticContact CG-CG 3.85Å; Y343-W414 HydrophobicContact CG-CG 3.85Å; Y343-W414 AromaticContact CZ-CD1 3.31Å; Y343-W414 AromaticContact CZ-CG 3.87Å
344	N	81.5	Confident	80.7	Confident	60 Å²	60	59.5 Å²	59.5	32%	0.321	32%	0.323	S	S	.	.			trans	-90.8	90.2	174	-173.4	-19.5	0	0	0	109.4	P341 C346 E347 Q348	P341-N344 PolarHBondContact O-N 3.37Å; N344-C346 PolarHBondContact O-N 3.41Å; N344-C346 WeakPolarHBondContact OD1-CB 3.11Å; N344-C346 PolarHBondContact OD1-N 3.37Å; N344-E347 PolarHBondContact ND2-OE1 3Å; N344-E347 PolarHBondContact O-N 2.92Å; N344-E347 PolarHBondContact OD1-N 2.94Å; N344-Q348 WeakPolarHBondContact O-CG 3.43Å
345	I	83.5	Confident	81.1	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-34.2	-178	-170.4	64.2	0	0	0	112.1	Y343 E347 Q348 M349 I352 V411 E447 A450 V454	Y343-I345 PolarHBondContact O-N 2.97Å; I345-E347 PolarHBondContact O-N 3.42Å; I345-Q348 PolarHBondContact O-N 2.88Å; I345-Q348 VanDerWaalsContact O-N 3.09Å; I345-M349 HydrophobicContact CD1-SD 4.48Å; I345-M349 HydrophobicContact CG1-SD 4.16Å; I345-M349 WeakPolarHBondContact O-CG 3.35Å; I345-M349 PolarHBondContact O-N 3.43Å; I345-I352 HydrophobicContact CD1-CD1 4.45Å; I345-V411 HydrophobicContact CB-CG2 4.47Å; I345-E447 HydrophobicContact CG2-CB 4.31Å; I345-E447 HydrophobicContact CG2-CG 4.11Å; I345-A450 HydrophobicContact CG1-CB 4.06Å; I345-A450 HydrophobicContact CG2-CB 3.88Å; I345-V454 HydrophobicContact CD1-CG2 4.24Å
346	C	84.8	Confident	81.5	Confident	49 Å²	49	61.9 Å²	61.9	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-38.3	-176.9	-60.9	0	0	0	0	112.8	N344 Q348 M349	N344-C346 PolarHBondContact O-N 3.41Å; N344-C346 WeakPolarHBondContact OD1-CB 3.11Å; N344-C346 PolarHBondContact OD1-N 3.37Å; C346-Q348 VanDerWaalsContact C-N 3.33Å; C346-M349 PolarHBondContact O-N 2.96Å
347	E	85.1	Confident	82.1	Confident	121 Å²	121	64.2 Å²	64.2	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-69.4	-32.3	174.8	-74.4	179.7	-175.7	0	0	112.1	N344 I345	N344-E347 PolarHBondContact ND2-OE1 3Å; N344-E347 PolarHBondContact O-N 2.92Å; N344-E347 PolarHBondContact OD1-N 2.94Å; I345-E347 PolarHBondContact O-N 3.42Å
348	Q	87.1	Confident	83.4	Confident	55 Å²	55	65.8 Å²	65.8	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-76.4	-22.7	179.5	-56.7	-64.6	-11	0	0	112.9	P341 N344 I345 C346 I350 Q351 I352	P341-Q348 PolarHBondContact O-NE2 2.95Å; P341-Q348 VanDerWaalsContact O-NE2 3.09Å; N344-Q348 WeakPolarHBondContact O-CG 3.43Å; I345-Q348 PolarHBondContact O-N 2.88Å; I345-Q348 VanDerWaalsContact O-N 3.09Å; C346-Q348 VanDerWaalsContact C-N 3.33Å; Q348-I350 PolarHBondContact O-N 2.89Å; Q348-I350 VanDerWaalsContact O-N 3.16Å; Q348-Q351 PolarHBondContact O-N 3.48Å; Q348-I352 HydrophobicContact CB-CD1 4.29Å; Q348-I352 WeakPolarHBondContact O-CG1 3.42Å; Q348-I352 PolarHBondContact O-N 2.73Å; Q348-I352 VanDerWaalsContact O-N 3.14Å
349	M	91.2	Very high	85.1	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-56.5	-34.8	-176	-73.9	-49.9	-67.1	0	0	113.7	I345 C346 I352 R353 A450 E453 V454 M457	I345-M349 HydrophobicContact CD1-SD 4.48Å; I345-M349 HydrophobicContact CG1-SD 4.16Å; I345-M349 WeakPolarHBondContact O-CG 3.35Å; I345-M349 PolarHBondContact O-N 3.43Å; C346-M349 PolarHBondContact O-N 2.96Å; M349-I352 PolarHBondContact O-N 3.48Å; M349-R353 WeakPolarHBondContact O-CB 3.4Å; M349-R353 VanDerWaalsContact O-CG 3.23Å; M349-R353 WeakPolarHBondContact O-CG 3.29Å; M349-R353 PolarHBondContact O-N 2.76Å; M349-A450 HydrophobicContact CG-CB 3.75Å; M349-A450 HydrophobicContact SD-CB 3.82Å; M349-E453 HydrophobicContact CE-CB 3.55Å; M349-E453 HydrophobicContact CE-CG 4.35Å; M349-E453 VanDerWaalsContact CE-OE2 3.25Å; M349-E453 WeakPolarHBondContact CE-OE2 3.45Å; M349-V454 HydrophobicContact CE-CG2 3.89Å; M349-V454 HydrophobicContact SD-CG2 3.42Å; M349-V454 WeakPolarHBondContact SD-CG2 3.11Å; M349-M457 HydrophobicContact CE-CE 3.87Å
350	I	91.3	Very high	86.6	Confident	111 Å²	111	59.5 Å²	59.5	57%	0.569	29%	0.288	S	S	*	.	H	α-helix	trans	-61.8	-51.2	-179	-61	174.1	0	0	0	109.8	Q348 I352 R353 E354	Q348-I350 PolarHBondContact O-N 2.89Å; Q348-I350 VanDerWaalsContact O-N 3.16Å; I350-I352 PolarHBondContact O-N 2.94Å; I350-R353 PolarHBondContact O-N 3.09Å; I350-E354 WeakPolarHBondContact O-CG 3.46Å; I350-E354 PolarHBondContact O-N 2.94Å
351	Q	92.6	Very high	87.8	Confident	91 Å²	91	61.6 Å²	61.6	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-43.3	-179.8	-174.2	59.7	57.1	0	0	111.5	Q348 R353 E354 D355	Q348-Q351 PolarHBondContact O-N 3.48Å; Q351-R353 PolarHBondContact O-N 3.1Å; Q351-E354 PolarHBondContact O-N 3.41Å; Q351-D355 PolarHBondContact NE2-OD1 2.86Å; Q351-D355 VanDerWaalsContact NE2-OD1 3.08Å; Q351-D355 PolarHBondContact NE2-OD2 3.42Å; Q351-D355 PolarHBondContact O-N 3.17Å
352	I	94.4	Very high	89.3	Confident	6 Å²	6	60.3 Å²	60.3	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-46.7	178.9	-66.2	173.6	0	0	0	110.8	I345 Q348 M349 I350 E354 D355 H356 W404 V454 M457	I345-I352 HydrophobicContact CD1-CD1 4.45Å; Q348-I352 HydrophobicContact CB-CD1 4.29Å; Q348-I352 WeakPolarHBondContact O-CG1 3.42Å; Q348-I352 PolarHBondContact O-N 2.73Å; Q348-I352 VanDerWaalsContact O-N 3.14Å; M349-I352 PolarHBondContact O-N 3.48Å; I350-I352 PolarHBondContact O-N 2.94Å; I352-E354 PolarHBondContact O-N 3.09Å; I352-D355 PolarHBondContact O-N 2.81Å; I352-H356 VanDerWaalsContact O-CB 3.28Å; I352-H356 WeakPolarHBondContact O-CB 3.02Å; I352-H356 PolarHBondContact O-N 3.5Å; I352-W404 HydrophobicContact CG2-CD2 4.32Å; I352-W404 HydrophobicContact CG2-CG 4.33Å; I352-W404 HydrophobicContact CG2-CZ2 4.36Å; I352-V454 HydrophobicContact CD1-CG2 3.89Å; I352-V454 HydrophobicContact CG2-CG2 4.33Å; I352-M457 HydrophobicContact CB-CE 4.46Å; I352-M457 HydrophobicContact CG2-CE 3.36Å; I352-M457 HydrophobicContact CG2-SD 3.98Å
353	R	94	Very high	90.1	Very high	119 Å²	119	59.7 Å²	59.7	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-39.6	178.7	-71.5	173.1	-176.2	166.3	2.5	112.1	M349 I350 Q351 M357 E453 M457	M349-R353 WeakPolarHBondContact O-CB 3.4Å; M349-R353 VanDerWaalsContact O-CG 3.23Å; M349-R353 WeakPolarHBondContact O-CG 3.29Å; M349-R353 PolarHBondContact O-N 2.76Å; I350-R353 PolarHBondContact O-N 3.09Å; Q351-R353 PolarHBondContact O-N 3.1Å; R353-M357 WeakPolarHBondContact O-CB 3.5Å; R353-M357 PolarHBondContact O-N 3.34Å; R353-E453 IonicContact CZ-OE1 3.89Å; R353-E453 IonicContact CZ-OE2 3.24Å; R353-E453 IonicContact NE-OE2 4Å; R353-E453 PolarHBondContact NE-OE2 2.87Å; R353-E453 IonicContact NH2-OE1 3.71Å; R353-E453 PolarHBondContact NH2-OE1 3.07Å; R353-E453 IonicContact NH2-OE2 3.65Å; R353-E453 PolarHBondContact NH2-OE2 3.33Å; R353-M457 HydrophobicContact CG-CE 4.35Å; R353-M457 HydrophobicContact CG-SD 4.39Å
354	E	94.1	Very high	90.4	Very high	98 Å²	98	60.9 Å²	60.9	46%	0.458	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-45.4	176.5	-76.3	-174.3	-176.1	0	0	112.4	I350 Q351 I352 M357 R358	I350-E354 WeakPolarHBondContact O-CG 3.46Å; I350-E354 PolarHBondContact O-N 2.94Å; Q351-E354 PolarHBondContact O-N 3.41Å; I352-E354 PolarHBondContact O-N 3.09Å; E354-M357 PolarHBondContact O-N 2.97Å; E354-R358 WeakPolarHBondContact O-CB 3.11Å; E354-R358 PolarHBondContact O-N 3.1Å
355	D	94.5	Very high	90.6	Very high	34 Å²	34	66.7 Å²	66.7	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-68.3	-39.4	179.4	-69.8	-31.3	0	0	0	111.5	Q351 I352 R358 F359 L400	Q351-D355 PolarHBondContact NE2-OD1 2.86Å; Q351-D355 VanDerWaalsContact NE2-OD1 3.08Å; Q351-D355 PolarHBondContact NE2-OD2 3.42Å; Q351-D355 PolarHBondContact O-N 3.17Å; I352-D355 PolarHBondContact O-N 2.81Å; D355-R358 PolarHBondContact O-N 3.31Å; D355-R358 IonicContact OD1-NH1 2.75Å; D355-R358 PolarHBondContact OD1-NH1 2.87Å; D355-F359 VanDerWaalsContact O-CB 3.3Å; D355-F359 WeakPolarHBondContact O-CB 3.26Å; D355-F359 PolarHBondContact O-N 3.26Å; D355-L400 HydrophobicContact CB-CD1 3.87Å
356	H	94.3	Very high	90.5	Very high	48 Å²	48	69.8 Å²	69.8	22%	0.222	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-50.8	172.9	176.7	-92.7	0	0	0	111.4	I352 R358 I360 W404 M457	I352-H356 VanDerWaalsContact O-CB 3.28Å; I352-H356 WeakPolarHBondContact O-CB 3.02Å; I352-H356 PolarHBondContact O-N 3.5Å; H356-R358 PolarHBondContact O-N 2.71Å; H356-I360 VanDerWaalsContact CE1-CD1 3.5Å; H356-I360 WeakPolarHBondContact CE1-CD1 3.33Å; H356-I360 WeakPolarHBondContact NE2-CD1 3.42Å; H356-I360 WeakPolarHBondContact O-CB 3.41Å; H356-I360 WeakPolarHBondContact O-CG1 3.18Å; H356-I360 PolarHBondContact O-N 2.93Å; H356-W404 HydrophobicContact CB-CH2 3.64Å; H356-W404 HydrophobicContact CB-CZ2 3.81Å; H356-W404 AromaticContact CD2-CH2 3.64Å; H356-M457 HydrophobicContact CB-SD 3.75Å
357	M	92	Very high	90.1	Very high	127 Å²	127	69.3 Å²	69.3	63%	0.626	33%	0.326	S	S	*	.	H	α-helix	trans	-59	-48	177.9	179.7	64.1	68.5	0	0	111.6	R353 E354 S361	R353-M357 WeakPolarHBondContact O-CB 3.5Å; R353-M357 PolarHBondContact O-N 3.34Å; E354-M357 PolarHBondContact O-N 2.97Å; M357-S361 VanDerWaalsContact O-CB 3.22Å; M357-S361 WeakPolarHBondContact O-CB 3.47Å; M357-S361 PolarHBondContact O-N 3.39Å; M357-S361 PolarHBondContact O-OG 3.35Å
358	R	94.7	Very high	89.4	Confident	153 Å²	153	68.5 Å²	68.5	58%	0.577	33%	0.325	S	S	*	.	H	α-helix	trans	-63.8	-49.8	-177.5	-171.8	-174.9	-61.5	145.7	5	111.6	E354 D355 H356 E362	E354-R358 WeakPolarHBondContact O-CB 3.11Å; E354-R358 PolarHBondContact O-N 3.1Å; D355-R358 PolarHBondContact O-N 3.31Å; D355-R358 IonicContact OD1-NH1 2.75Å; D355-R358 PolarHBondContact OD1-NH1 2.87Å; H356-R358 PolarHBondContact O-N 2.71Å; R358-E362 PolarHBondContact O-N 3.37Å
359	F	95.4	Very high	88.4	Confident	5 Å²	5	68.2 Å²	68.2	2%	0.022	33%	0.33	C	S	.	.	H	α-helix	trans	-70.1	-46.6	-174.9	-176.5	-104.1	0	0	0	112.3	D355 S361 E362 L363 L393 Q396 L400 L461 M465	D355-F359 VanDerWaalsContact O-CB 3.3Å; D355-F359 WeakPolarHBondContact O-CB 3.26Å; D355-F359 PolarHBondContact O-N 3.26Å; F359-S361 VanDerWaalsContact C-N 3.32Å; F359-S361 PolarHBondContact O-N 3.49Å; F359-E362 PolarHBondContact O-N 2.83Å; F359-E362 VanDerWaalsContact O-N 3.14Å; F359-L363 HydrophobicContact CE1-CD2 4.15Å; F359-L363 WeakPolarHBondContact O-CB 3.28Å; F359-L363 PolarHBondContact O-N 3.22Å; F359-L393 HydrophobicContact CE2-CD2 3.88Å; F359-L393 WeakPolarHBondContact CZ-O 3.34Å; F359-Q396 HydrophobicContact CD2-CG 3.96Å; F359-Q396 HydrophobicContact CE2-CB 3.92Å; F359-Q396 HydrophobicContact CE2-CG 3.81Å; F359-L400 HydrophobicContact CB-CD2 3.83Å; F359-L400 HydrophobicContact CD1-CD2 4.08Å; F359-L400 HydrophobicContact CG-CD2 4Å; F359-L461 HydrophobicContact CD1-CD1 4.02Å; F359-L461 HydrophobicContact CD1-CD2 4.01Å; F359-L461 HydrophobicContact CE1-CD1 3.93Å; F359-L461 HydrophobicContact CE1-CD2 4.2Å; F359-M465 HydrophobicContact CE1-SD 4.03Å; F359-M465 HydrophobicContact CZ-SD 4.26Å
360	I	91.1	Very high	87.1	Confident	34 Å²	34	70 Å²	70	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-39	179.9	-69.8	-173.6	0	0	0	111.4	H356 E362 L363 A364 L461 L464	H356-I360 VanDerWaalsContact CE1-CD1 3.5Å; H356-I360 WeakPolarHBondContact CE1-CD1 3.33Å; H356-I360 WeakPolarHBondContact NE2-CD1 3.42Å; H356-I360 WeakPolarHBondContact O-CB 3.41Å; H356-I360 WeakPolarHBondContact O-CG1 3.18Å; H356-I360 PolarHBondContact O-N 2.93Å; I360-E362 VanDerWaalsContact C-N 3.25Å; I360-E362 PolarHBondContact O-N 3.37Å; I360-L363 PolarHBondContact O-N 3.43Å; I360-A364 VanDerWaalsContact O-CB 3.24Å; I360-A364 WeakPolarHBondContact O-CB 3.28Å; I360-A364 PolarHBondContact O-N 3.45Å; I360-L461 HydrophobicContact CD1-CD1 4.24Å; I360-L461 HydrophobicContact CG1-CD1 3.92Å; I360-L464 HydrophobicContact CD1-CD1 4.01Å; I360-L464 HydrophobicContact CG1-CD1 4.28Å; I360-L464 HydrophobicContact CG2-CD1 3.95Å
361	S	89.1	Confident	85.5	Confident	62 Å²	62	69.6 Å²	69.6	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-38	175.6	-63	0	0	0	0	112	M357 F359 R365	M357-S361 VanDerWaalsContact O-CB 3.22Å; M357-S361 WeakPolarHBondContact O-CB 3.47Å; M357-S361 PolarHBondContact O-N 3.39Å; M357-S361 PolarHBondContact O-OG 3.35Å; F359-S361 VanDerWaalsContact C-N 3.32Å; F359-S361 PolarHBondContact O-N 3.49Å; S361-R365 WeakPolarHBondContact O-CG 3.48Å
362	E	91.9	Very high	83.5	Confident	52 Å²	52	70.7 Å²	70.7	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-71.3	-50.1	175.1	-171.3	172	-177.6	0	0	111.4	R358 F359 I360 A364 R365 Y366 K389 L393	R358-E362 PolarHBondContact O-N 3.37Å; F359-E362 PolarHBondContact O-N 2.83Å; F359-E362 VanDerWaalsContact O-N 3.14Å; I360-E362 VanDerWaalsContact C-N 3.25Å; I360-E362 PolarHBondContact O-N 3.37Å; E362-A364 VanDerWaalsContact C-N 3.34Å; E362-A364 PolarHBondContact O-N 3.48Å; E362-R365 WeakPolarHBondContact O-CB 3.47Å; E362-R365 PolarHBondContact O-N 3.32Å; E362-R365 VanDerWaalsContact O-N 3.16Å; E362-Y366 HydrophobicContact CG-CD2 4.47Å; E362-Y366 HydrophobicContact CG-CE2 3.96Å; E362-Y366 VanDerWaalsContact O-CD2 3.27Å; E362-Y366 WeakPolarHBondContact O-CD2 3.3Å; E362-K389 WeakPolarHBondContact OE1-CE 3.49Å; E362-K389 IonicContact OE1-NZ 2.72Å; E362-K389 PolarHBondContact OE1-NZ 2.89Å; E362-L393 HydrophobicContact CG-CD2 4.15Å
363	L	90.1	Very high	81.4	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-56.6	-44.9	-180	-178.7	64.4	0	0	0	112.4	F359 I360 R365 Y366 S367 L461 L464 M465 M468 F472	F359-L363 HydrophobicContact CE1-CD2 4.15Å; F359-L363 WeakPolarHBondContact O-CB 3.28Å; F359-L363 PolarHBondContact O-N 3.22Å; I360-L363 PolarHBondContact O-N 3.43Å; L363-R365 PolarHBondContact O-N 3.35Å; L363-Y366 PolarHBondContact O-N 3.24Å; L363-Y366 VanDerWaalsContact O-N 3.11Å; L363-S367 PolarHBondContact O-N 3.48Å; L363-L461 HydrophobicContact CD2-CD1 4.04Å; L363-L464 HydrophobicContact CD2-CB 4.1Å; L363-M465 HydrophobicContact CD1-SD 4.44Å; L363-M465 HydrophobicContact CD2-SD 3.77Å; L363-M468 HydrophobicContact CD1-SD 3.59Å; L363-M468 VanDerWaalsContact CD1-SD 3.59Å; L363-M468 HydrophobicContact CG-SD 4.24Å; L363-F472 HydrophobicContact CD1-CE1 4.5Å; L363-F472 HydrophobicContact CD1-CZ 3.68Å
364	A	85.2	Confident	79.2	Confident	40 Å²	40	72 Å²	72	33%	0.331	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-32.2	-179.1	0	0	0	0	0	112.7	I360 E362 S367 N368	I360-A364 VanDerWaalsContact O-CB 3.24Å; I360-A364 WeakPolarHBondContact O-CB 3.28Å; I360-A364 PolarHBondContact O-N 3.45Å; E362-A364 VanDerWaalsContact C-N 3.34Å; E362-A364 PolarHBondContact O-N 3.48Å; A364-S367 PolarHBondContact O-N 2.93Å; A364-N368 WeakPolarHBondContact O-CB 3.32Å; A364-N368 VanDerWaalsContact O-CG 3.26Å; A364-N368 PolarHBondContact O-N 2.87Å; A364-N368 PolarHBondContact O-ND2 2.83Å
365	R	85.3	Confident	76.7	Confident	181 Å²	181	70.7 Å²	70.7	68%	0.683	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-41.3	176	-69.6	170.7	63.1	-169.3	-1.6	111.7	S361 E362 L363 S369	S361-R365 WeakPolarHBondContact O-CG 3.48Å; E362-R365 WeakPolarHBondContact O-CB 3.47Å; E362-R365 PolarHBondContact O-N 3.32Å; E362-R365 VanDerWaalsContact O-N 3.16Å; L363-R365 PolarHBondContact O-N 3.35Å; R365-S369 PolarHBondContact O-N 2.79Å; R365-S369 VanDerWaalsContact O-N 3.08Å; R365-S369 PolarHBondContact O-OG 2.83Å
366	Y	82.4	Confident	74.1	Confident	67 Å²	67	72.4 Å²	72.4	26%	0.263	42%	0.416	S	S	.	.	H	α-helix	trans	-71.4	-42	177.5	-69.2	-88.2	0	0	0	111	E362 L363 N368 S369 E370 K389 L390 L393	E362-Y366 HydrophobicContact CG-CD2 4.47Å; E362-Y366 HydrophobicContact CG-CE2 3.96Å; E362-Y366 VanDerWaalsContact O-CD2 3.27Å; E362-Y366 WeakPolarHBondContact O-CD2 3.3Å; L363-Y366 PolarHBondContact O-N 3.24Å; L363-Y366 VanDerWaalsContact O-N 3.11Å; Y366-N368 PolarHBondContact O-N 2.96Å; Y366-S369 WeakPolarHBondContact CA-OG 3.32Å; Y366-S369 PolarHBondContact O-N 3.15Å; Y366-S369 PolarHBondContact O-OG 3.33Å; Y366-E370 VanDerWaalsContact O-CG 3.31Å; Y366-E370 WeakPolarHBondContact O-CG 3.29Å; Y366-E370 PolarHBondContact O-N 3.27Å; Y366-K389 HydrophobicContact CE1-CG 4.1Å; Y366-K389 WeakPolarHBondContact OH-CE 3.33Å; Y366-K389 WeakPolarHBondContact OH-CG 3.28Å; Y366-L390 HydrophobicContact CD1-CD2 4.17Å; Y366-L390 HydrophobicContact CG-CD2 4.39Å; Y366-L393 HydrophobicContact CD2-CD1 3.49Å; Y366-L393 VanDerWaalsContact CD2-CD1 3.49Å; Y366-L393 HydrophobicContact CE2-CD1 3.69Å; Y366-L393 HydrophobicContact CG-CD1 3.95Å
367	S	76.8	Confident	71.6	Confident	39 Å²	39	80.3 Å²	80.3	27%	0.273	44%	0.444	S	S	.	.	H	α-helix	trans	-57.1	-48	174.2	-171.3	0	0	0	0	112.1	L363 A364 S369 E370 V371	L363-S367 PolarHBondContact O-N 3.48Å; A364-S367 PolarHBondContact O-N 2.93Å; S367-S369 PolarHBondContact O-N 2.58Å; S367-E370 PolarHBondContact O-N 3.38Å; S367-V371 WeakPolarHBondContact O-CG2 3.24Å; S367-V371 PolarHBondContact O-N 3.5Å; S367-V371 VanDerWaalsContact O-N 3.07Å
368	N	69.9	Low	69.2	Low	104 Å²	104	83.5 Å²	83.5	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-66.3	-37.2	-179.6	-70.7	-17.1	0	0	0	112.1	A364 Y366 E370 V371 V372	A364-N368 WeakPolarHBondContact O-CB 3.32Å; A364-N368 VanDerWaalsContact O-CG 3.26Å; A364-N368 PolarHBondContact O-N 2.87Å; A364-N368 PolarHBondContact O-ND2 2.83Å; Y366-N368 PolarHBondContact O-N 2.96Å; N368-E370 VanDerWaalsContact C-N 3.34Å; N368-V371 PolarHBondContact O-N 2.94Å; N368-V372 WeakPolarHBondContact O-CB 3.48Å; N368-V372 WeakPolarHBondContact O-CG2 3.42Å; N368-V372 PolarHBondContact O-N 3.18Å
369	S	65.1	Low	66.8	Low	50 Å²	50	85.6 Å²	85.6	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-37.3	175.4	58.1	0	0	0	0	112.2	R365 Y366 S367 T373	R365-S369 PolarHBondContact O-N 2.79Å; R365-S369 VanDerWaalsContact O-N 3.08Å; R365-S369 PolarHBondContact O-OG 2.83Å; Y366-S369 WeakPolarHBondContact CA-OG 3.32Å; Y366-S369 PolarHBondContact O-N 3.15Å; Y366-S369 PolarHBondContact O-OG 3.33Å; S367-S369 PolarHBondContact O-N 2.58Å; S369-T373 WeakPolarHBondContact O-CB 3.23Å; S369-T373 WeakPolarHBondContact O-CG2 3.34Å; S369-T373 PolarHBondContact O-N 3.31Å; S369-T373 PolarHBondContact O-OG1 3.06Å
370	E	65.3	Low	65.1	Low	45 Å²	45	90.2 Å²	90.2	21%	0.21	51%	0.506	C	S	.	.	H	α-helix	trans	-65.9	-44.4	175.9	-64.3	-57.1	137.6	0	0	111.5	Y366 S367 N368 V372 T373 G374 K382 M468 V471	Y366-E370 VanDerWaalsContact O-CG 3.31Å; Y366-E370 WeakPolarHBondContact O-CG 3.29Å; Y366-E370 PolarHBondContact O-N 3.27Å; S367-E370 PolarHBondContact O-N 3.38Å; N368-E370 VanDerWaalsContact C-N 3.34Å; E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 3.23Å; E370-T373 PolarHBondContact O-N 3Å; E370-G374 PolarHBondContact O-N 3.06Å; E370-K382 WeakPolarHBondContact OE1-CE 3.43Å; E370-K382 IonicContact OE1-NZ 2.71Å; E370-K382 PolarHBondContact OE1-NZ 3.01Å; E370-K382 IonicContact OE2-NZ 3.77Å; E370-K382 PolarHBondContact OE2-NZ 3.14Å; E370-M468 HydrophobicContact CG-CE 4.31Å; E370-V471 HydrophobicContact CG-CG1 4.21Å; E370-V471 HydrophobicContact CG-CG2 4.37Å
371	V	57.1	Low	64.1	Low	102 Å²	102	96.5 Å²	96.5	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-65.4	-37.7	180	175.3	0	0	0	0	111.7	S367 N368	S367-V371 WeakPolarHBondContact O-CG2 3.24Å; S367-V371 PolarHBondContact O-N 3.5Å; S367-V371 VanDerWaalsContact O-N 3.07Å; N368-V371 PolarHBondContact O-N 2.94Å
372	V	50.7	Low	63.8	Low	114 Å²	114	96.1 Å²	96.1	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-79.9	-27.2	-179.3	174.3	0	0	0	0	113	N368 E370	N368-V372 WeakPolarHBondContact O-CB 3.48Å; N368-V372 WeakPolarHBondContact O-CG2 3.42Å; N368-V372 PolarHBondContact O-N 3.18Å; E370-V372 VanDerWaalsContact C-N 3.35Å; E370-V372 PolarHBondContact O-N 3.23Å
373	T	51.3	Low	63.7	Low	83 Å²	83	97.4 Å²	97.4	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-97.4	-16.7	-178.1	58	0	0	0	0	114.4	S369 E370 S375	S369-T373 WeakPolarHBondContact O-CB 3.23Å; S369-T373 WeakPolarHBondContact O-CG2 3.34Å; S369-T373 PolarHBondContact O-N 3.31Å; S369-T373 PolarHBondContact O-OG1 3.06Å; E370-T373 PolarHBondContact O-N 3Å; T373-S375 VanDerWaalsContact C-N 3.33Å; T373-S375 PolarHBondContact O-N 3.34Å
374	G	47.8	Very low	63.7	Low	69 Å²	69	100.4 Å²	100.4	71%	0.711	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-9.9	-174.9	0	0	0	0	0	116.6	E370	E370-G374 PolarHBondContact O-N 3.06Å
375	S	40.5	Very low	64	Low	70 Å²	70	101.9 Å²	101.9	49%	0.49	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.2	8.2	-168.8	61.6	0	0	0	0	116.5	L16 T373	L16-S375 WeakPolarHBondContact CD2-OG 3.34Å; T373-S375 VanDerWaalsContact C-N 3.33Å; T373-S375 PolarHBondContact O-N 3.34Å
376	G	40.5	Very low	64.3	Low	70 Å²	70	98 Å²	98	72%	0.722	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.3	7.3	-175.9	0	0	0	0	0	119.4
377	R	41.7	Very low	64.7	Low	214 Å²	214	95.6 Å²	95.6	81%	0.808	55%	0.546	S	S	*	.	S	Bend	trans	-117.3	126.6	171.1	-73.2	-175.1	176.3	177.1	0.2	109.6	E379	R377-E379 PolarHBondContact O-N 3.04Å
378	Q	41.6	Very low	65.6	Low	194 Å²	194	97.2 Å²	97.2	91%	0.907	55%	0.546	S	S	*	.			trans	-38.6	128.5	163.9	-78	175.3	-25.3	0	0	109.4	S380	Q378-S380 VanDerWaalsContact C-N 3.34Å; Q378-S380 PolarHBondContact O-N 3.01Å
379	E	44.9	Very low	66.8	Low	197 Å²	197	95 Å²	95	92%	0.921	53%	0.531	S	S	*	.			trans	-44.3	85.3	-175.7	-65.4	175.4	142.9	0	0	113.2	R377 Q381	R377-E379 PolarHBondContact O-N 3.04Å; E379-Q381 PolarHBondContact O-N 3.26Å
380	S	58.2	Low	68.1	Low	102 Å²	102	92.9 Å²	92.9	71%	0.713	52%	0.516	S	S	*	.			trans	-75.1	104.3	162.1	59.3	0	0	0	0	106.5	Q378 K382	Q378-S380 VanDerWaalsContact C-N 3.34Å; Q378-S380 PolarHBondContact O-N 3.01Å; S380-K382 PolarHBondContact O-N 2.86Å
381	Q	70.5	Confident	69.6	Low	167 Å²	167	91 Å²	91	78%	0.78	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-48	132	171.3	-82	-176.6	-15.9	0	0	109.8	E379	E379-Q381 PolarHBondContact O-N 3.26Å
382	K	82.9	Confident	71.4	Confident	54 Å²	54	88.8 Å²	88.8	24%	0.235	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-67.5	158.5	177.5	-60.4	177	-173.1	165.3	0	110.3	E370 S380 E386 Y387	E370-K382 WeakPolarHBondContact OE1-CE 3.43Å; E370-K382 IonicContact OE1-NZ 2.71Å; E370-K382 PolarHBondContact OE1-NZ 3.01Å; E370-K382 IonicContact OE2-NZ 3.77Å; E370-K382 PolarHBondContact OE2-NZ 3.14Å; S380-K382 PolarHBondContact O-N 2.86Å; K382-E386 HydrophobicContact CB-CB 4.08Å; K382-Y387 HydrophobicContact CB-CD1 4.33Å; K382-Y387 HydrophobicContact CB-CD2 4.12Å; K382-Y387 HydrophobicContact CB-CE1 3.9Å; K382-Y387 HydrophobicContact CB-CE2 3.72Å; K382-Y387 HydrophobicContact CB-CG 4.44Å; K382-Y387 HydrophobicContact CD-CD1 4.31Å; K382-Y387 HydrophobicContact CD-CE1 3.84Å; K382-Y387 HydrophobicContact CG-CE1 4.23Å; K382-Y387 VanDerWaalsContact O-CE2 3.26Å; K382-Y387 WeakPolarHBondContact O-CE2 3.42Å
383	T	89.4	Confident	73.6	Confident	79 Å²	79	83.4 Å²	83.4	49%	0.485	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-73.5	157.5	175.6	63.1	0	0	0	0	111.8	A385 E386 Y387	T383-A385 PolarHBondContact O-N 3.29Å; T383-A385 VanDerWaalsContact O-N 3.14Å; T383-E386 PolarHBondContact N-OE2 3.12Å; T383-E386 PolarHBondContact O-N 3.45Å; T383-E386 VanDerWaalsContact O-N 3.12Å; T383-E386 WeakPolarHBondContact OG1-CG 3.28Å; T383-E386 PolarHBondContact OG1-N 3.25Å; T383-E386 PolarHBondContact OG1-OE2 2.54Å; T383-Y387 WeakPolarHBondContact O-CD2 3.3Å; T383-Y387 PolarHBondContact O-N 3.38Å; T383-Y387 VanDerWaalsContact O-N 3.12Å
384	D	90.3	Very high	75.7	Confident	67 Å²	67	79.4 Å²	79.4	36%	0.358	44%	0.435	S	S	.	.	H	α-helix	trans	-52.7	-35.3	174.7	-72.6	3.1	0	0	0	112.4	R388 H478 R549	D384-R388 VanDerWaalsContact O-CB 3.3Å; D384-R388 WeakPolarHBondContact O-CB 3.32Å; D384-R388 PolarHBondContact O-N 3.12Å; D384-H478 IonicContact OD1-CE1 2.62Å; D384-H478 PolarHBondContact OD1-CE1 2.7Å; D384-H478 VanDerWaalsContact OD1-CE1 3.26Å; D384-R549 IonicContact OD1-NE 3.81Å; D384-R549 PolarHBondContact OD1-NE 3.31Å; D384-R549 IonicContact OD2-CZ 2.88Å; D384-R549 VanDerWaalsContact OD2-CZ 3.25Å; D384-R549 IonicContact OD2-NE 3.2Å; D384-R549 PolarHBondContact OD2-NE 3.35Å; D384-R549 IonicContact OD2-NH2 3.54Å; D384-R549 PolarHBondContact OD2-NH2 3.39Å
385	A	92.3	Very high	78	Confident	72 Å²	72	77.3 Å²	77.3	60%	0.595	41%	0.407	S	S	*	.	H	α-helix	trans	-69.7	-40.6	180	0	0	0	0	0	112.7	T383 R388 K389	T383-A385 PolarHBondContact O-N 3.29Å; T383-A385 VanDerWaalsContact O-N 3.14Å; A385-R388 PolarHBondContact O-N 3.42Å; A385-K389 PolarHBondContact O-N 3.33Å
386	E	90.4	Very high	80.7	Confident	99 Å²	99	77.7 Å²	77.7	46%	0.463	40%	0.401	S	S	.	.	H	α-helix	trans	-67.2	-43.5	176.8	-71.5	164.4	137	0	0	111	K382 T383 K389 L390	K382-E386 HydrophobicContact CB-CB 4.08Å; T383-E386 PolarHBondContact N-OE2 3.12Å; T383-E386 PolarHBondContact O-N 3.45Å; T383-E386 VanDerWaalsContact O-N 3.12Å; T383-E386 WeakPolarHBondContact OG1-CG 3.28Å; T383-E386 PolarHBondContact OG1-N 3.25Å; T383-E386 PolarHBondContact OG1-OE2 2.54Å; E386-K389 PolarHBondContact O-N 3.4Å; E386-L390 PolarHBondContact O-N 3.15Å
387	Y	92.5	Very high	83.3	Confident	16 Å²	16	74.4 Å²	74.4	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-41.5	173.6	-72	-50.5	0	0	0	112	K382 T383 K389 L390 F391 H474 A475 H478 T479	K382-Y387 HydrophobicContact CB-CD1 4.33Å; K382-Y387 HydrophobicContact CB-CD2 4.12Å; K382-Y387 HydrophobicContact CB-CE1 3.9Å; K382-Y387 HydrophobicContact CB-CE2 3.72Å; K382-Y387 HydrophobicContact CB-CG 4.44Å; K382-Y387 HydrophobicContact CD-CD1 4.31Å; K382-Y387 HydrophobicContact CD-CE1 3.84Å; K382-Y387 HydrophobicContact CG-CE1 4.23Å; K382-Y387 VanDerWaalsContact O-CE2 3.26Å; K382-Y387 WeakPolarHBondContact O-CE2 3.42Å; T383-Y387 WeakPolarHBondContact O-CD2 3.3Å; T383-Y387 PolarHBondContact O-N 3.38Å; T383-Y387 VanDerWaalsContact O-N 3.12Å; Y387-K389 VanDerWaalsContact C-N 3.3Å; Y387-K389 PolarHBondContact O-N 3.33Å; Y387-L390 PolarHBondContact O-N 2.95Å; Y387-F391 PolarHBondContact O-N 3.26Å; Y387-H474 AromaticContact CE1-CD2 3.5Å; Y387-H474 VanDerWaalsContact CE1-CD2 3.5Å; Y387-H474 WeakPolarHBondContact CE1-CD2 3.47Å; Y387-H474 AromaticContact CE1-NE2 3.86Å; Y387-H474 AromaticContact CZ-CD2 3.83Å; Y387-H474 AromaticContact CZ-NE2 3.66Å; Y387-H474 PolarHBondContact OH-NE2 3.32Å; Y387-A475 HydrophobicContact CD1-CB 3.76Å; Y387-H478 HydrophobicContact CD2-CB 4.3Å; Y387-H478 AromaticContact CD2-CE1 3.49Å; Y387-H478 VanDerWaalsContact CD2-CE1 3.49Å; Y387-H478 WeakPolarHBondContact CD2-CE1 3.38Å; Y387-H478 AromaticContact CD2-CG 3.63Å; Y387-H478 AromaticContact CD2-ND1 3.29Å; Y387-H478 VanDerWaalsContact CD2-ND1 3.29Å; Y387-H478 WeakPolarHBondContact CD2-ND1 3.3Å; Y387-H478 AromaticContact CD2-NE2 3.94Å; Y387-H478 AromaticContact CE2-CD2 3.93Å; Y387-H478 AromaticContact CE2-CE1 3.96Å; Y387-H478 AromaticContact CE2-CG 3.96Å; Y387-H478 AromaticContact CE2-ND1 3.99Å; Y387-H478 AromaticContact CE2-NE2 3.94Å; Y387-H478 HydrophobicContact CG-CB 4.32Å; Y387-H478 AromaticContact CG-ND1 3.83Å; Y387-T479 VanDerWaalsContact C-OG1 3.3Å; Y387-T479 PolarHBondContact O-OG1 3.49Å
388	R	94.6	Very high	85.9	Confident	73 Å²	73	64.2 Å²	64.2	28%	0.275	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-39.8	175.9	179.1	57.8	-172.4	-140.6	-5.8	111.8	D384 A385 L390 F391 D392 T479 E598	D384-R388 VanDerWaalsContact O-CB 3.3Å; D384-R388 WeakPolarHBondContact O-CB 3.32Å; D384-R388 PolarHBondContact O-N 3.12Å; A385-R388 PolarHBondContact O-N 3.42Å; R388-L390 PolarHBondContact O-N 2.61Å; R388-F391 WeakPolarHBondContact O-CB 3.46Å; R388-F391 PolarHBondContact O-N 2.73Å; R388-D392 IonicContact CZ-OD1 3.64Å; R388-D392 IonicContact NE-OD1 2.73Å; R388-D392 PolarHBondContact NE-OD1 3.27Å; R388-D392 IonicContact NE-OD2 3.19Å; R388-D392 IonicContact NH2-OD1 3.94Å; R388-D392 PolarHBondContact NH2-OD1 3.26Å; R388-D392 VanDerWaalsContact O-CG 3.25Å; R388-D392 PolarHBondContact O-N 2.89Å; R388-T479 HydrophobicContact CB-CG2 4.41Å; R388-T479 PolarHBondContact N-OG1 3.49Å; R388-E598 IonicContact NH1-OE2 2.89Å; R388-E598 IonicContact NH2-OE2 3.75Å
389	K	94.4	Very high	88.4	Confident	59 Å²	59	58.1 Å²	58.1	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-39.8	178.2	-177.6	55.1	-179.8	169.9	0	112.4	E362 Y366 A385 E386 Y387 D392 L393	E362-K389 WeakPolarHBondContact OE1-CE 3.49Å; E362-K389 IonicContact OE1-NZ 2.72Å; E362-K389 PolarHBondContact OE1-NZ 2.89Å; Y366-K389 HydrophobicContact CE1-CG 4.1Å; Y366-K389 WeakPolarHBondContact OH-CE 3.33Å; Y366-K389 WeakPolarHBondContact OH-CG 3.28Å; A385-K389 PolarHBondContact O-N 3.33Å; E386-K389 PolarHBondContact O-N 3.4Å; Y387-K389 VanDerWaalsContact C-N 3.3Å; Y387-K389 PolarHBondContact O-N 3.33Å; K389-D392 PolarHBondContact O-N 2.93Å; K389-L393 WeakPolarHBondContact O-CG 3.41Å; K389-L393 PolarHBondContact O-N 3.49Å
390	L	93.4	Very high	90.9	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-38.2	174.1	-70.4	169.3	0	0	0	112.2	Y366 E386 Y387 R388 L393 A394 V471 A475	Y366-L390 HydrophobicContact CD1-CD2 4.17Å; Y366-L390 HydrophobicContact CG-CD2 4.39Å; E386-L390 PolarHBondContact O-N 3.15Å; Y387-L390 PolarHBondContact O-N 2.95Å; R388-L390 PolarHBondContact O-N 2.61Å; L390-L393 PolarHBondContact O-N 2.99Å; L390-A394 PolarHBondContact O-N 3.4Å; L390-V471 HydrophobicContact CD1-CG1 3.92Å; L390-V471 HydrophobicContact CD2-CG1 4.44Å; L390-A475 HydrophobicContact CB-CB 3.62Å; L390-A475 HydrophobicContact CD1-CB 3.97Å; L390-A475 HydrophobicContact CG-CB 4.47Å
391	F	96.4	Very high	92.7	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-45.8	171	169.6	-80.6	0	0	0	111.6	Y387 R388 L393 A394 L395 I476 T479 I480 Y602 L605	Y387-F391 PolarHBondContact O-N 3.26Å; R388-F391 WeakPolarHBondContact O-CB 3.46Å; R388-F391 PolarHBondContact O-N 2.73Å; F391-L393 PolarHBondContact O-N 3.25Å; F391-A394 PolarHBondContact O-N 3.04Å; F391-L395 PolarHBondContact O-N 2.96Å; F391-L395 VanDerWaalsContact O-N 3.1Å; F391-I476 HydrophobicContact CD2-CB 4.3Å; F391-I476 HydrophobicContact CD2-CG1 4.01Å; F391-I476 HydrophobicContact CD2-CG2 4.24Å; F391-I476 HydrophobicContact CE2-CG2 4.5Å; F391-T479 HydrophobicContact CB-CG2 4.07Å; F391-T479 HydrophobicContact CD1-CG2 4.29Å; F391-T479 HydrophobicContact CD2-CG2 4.04Å; F391-T479 HydrophobicContact CG-CG2 3.88Å; F391-I480 HydrophobicContact CD2-CG1 4.43Å; F391-I480 HydrophobicContact CE2-CD1 4.15Å; F391-I480 HydrophobicContact CE2-CG1 3.84Å; F391-Y602 HydrophobicContact CE2-CD1 4.21Å; F391-Y602 HydrophobicContact CE2-CE1 4.18Å; F391-Y602 HydrophobicContact CZ-CD1 4.02Å; F391-Y602 AromaticContact CZ-CE1 3.77Å; F391-Y602 HydrophobicContact CZ-CE1 3.77Å; F391-L605 HydrophobicContact CD2-CD1 3.94Å; F391-L605 HydrophobicContact CE1-CD1 4.05Å; F391-L605 HydrophobicContact CE2-CB 4.48Å; F391-L605 HydrophobicContact CE2-CD1 3.23Å; F391-L605 HydrophobicContact CE2-CG 4.47Å; F391-L605 HydrophobicContact CZ-CD1 3.28Å
392	D	95.9	Very high	94	Very high	57 Å²	57	36.8 Å²	36.8	31%	0.305	19%	0.19	S	C	.	.	H	α-helix	trans	-64.8	-40.1	179.4	-65.4	-30.2	0	0	0	111.2	R388 K389 L395 Q396	R388-D392 IonicContact CZ-OD1 3.64Å; R388-D392 IonicContact NE-OD1 2.73Å; R388-D392 PolarHBondContact NE-OD1 3.27Å; R388-D392 IonicContact NE-OD2 3.19Å; R388-D392 IonicContact NH2-OD1 3.94Å; R388-D392 PolarHBondContact NH2-OD1 3.26Å; R388-D392 VanDerWaalsContact O-CG 3.25Å; R388-D392 PolarHBondContact O-N 2.89Å; K389-D392 PolarHBondContact O-N 2.93Å; D392-L395 PolarHBondContact O-N 3.46Å; D392-Q396 VanDerWaalsContact O-CB 3.25Å; D392-Q396 WeakPolarHBondContact O-CB 3.29Å; D392-Q396 PolarHBondContact O-N 3.25Å
393	L	95.8	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-41.7	174.9	-74	172	0	0	0	112.3	F359 E362 Y366 K389 L390 F391 L395 Q396 G397 F472	F359-L393 HydrophobicContact CE2-CD2 3.88Å; F359-L393 WeakPolarHBondContact CZ-O 3.34Å; E362-L393 HydrophobicContact CG-CD2 4.15Å; Y366-L393 HydrophobicContact CD2-CD1 3.49Å; Y366-L393 VanDerWaalsContact CD2-CD1 3.49Å; Y366-L393 HydrophobicContact CE2-CD1 3.69Å; Y366-L393 HydrophobicContact CG-CD1 3.95Å; K389-L393 WeakPolarHBondContact O-CG 3.41Å; K389-L393 PolarHBondContact O-N 3.49Å; L390-L393 PolarHBondContact O-N 2.99Å; F391-L393 PolarHBondContact O-N 3.25Å; L393-L395 PolarHBondContact O-N 3.44Å; L393-Q396 PolarHBondContact O-N 3.07Å; L393-G397 PolarHBondContact O-N 2.86Å; L393-F472 HydrophobicContact CB-CE1 4.25Å
394	A	95.6	Very high	94.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-47.8	176.7	0	0	0	0	0	111.3	L390 F391 I398 F472 I476 L605 F608	L390-A394 PolarHBondContact O-N 3.4Å; F391-A394 PolarHBondContact O-N 3.04Å; A394-I398 WeakPolarHBondContact O-CG1 3.24Å; A394-I398 PolarHBondContact O-N 3.45Å; A394-I398 VanDerWaalsContact O-N 3.15Å; A394-F472 HydrophobicContact CB-CB 4.31Å; A394-F472 HydrophobicContact CB-CD1 3.71Å; A394-F472 HydrophobicContact CB-CD2 4.41Å; A394-F472 HydrophobicContact CB-CE1 4.03Å; A394-F472 HydrophobicContact CB-CG 3.92Å; A394-F472 HydrophobicContact CB-CZ 4.48Å; A394-I476 HydrophobicContact CB-CD1 3.87Å; A394-I476 HydrophobicContact CB-CG1 4.39Å; A394-L605 HydrophobicContact CB-CD2 4.32Å; A394-F608 HydrophobicContact CB-CD2 4.33Å; A394-F608 HydrophobicContact CB-CE2 3.93Å
395	L	96.3	Very high	95.1	Very high	24 Å²	24	31.6 Å²	31.6	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-46.1	178.1	-178.7	58.3	0	0	0	112	L255 F391 D392 L393 G397 I398 Q399 F601 L605	L255-L395 HydrophobicContact CD1-CD1 3.94Å; F391-L395 PolarHBondContact O-N 2.96Å; F391-L395 VanDerWaalsContact O-N 3.1Å; D392-L395 PolarHBondContact O-N 3.46Å; L393-L395 PolarHBondContact O-N 3.44Å; L395-G397 VanDerWaalsContact C-N 3.34Å; L395-G397 PolarHBondContact O-N 3.12Å; L395-I398 PolarHBondContact O-N 2.93Å; L395-Q399 HydrophobicContact CD1-CG 4.27Å; L395-Q399 HydrophobicContact CG-CG 4.5Å; L395-Q399 WeakPolarHBondContact O-CB 3.15Å; L395-Q399 VanDerWaalsContact O-CG 3.3Å; L395-Q399 WeakPolarHBondContact O-CG 3.42Å; L395-Q399 PolarHBondContact O-N 2.86Å; L395-F601 HydrophobicContact CD1-CB 4.04Å; L395-F601 HydrophobicContact CD1-CD1 4.1Å; L395-F601 HydrophobicContact CD1-CG 3.97Å; L395-F601 HydrophobicContact CD2-CB 4.45Å; L395-F601 HydrophobicContact CD2-CD2 4.15Å; L395-F601 HydrophobicContact CD2-CG 4.34Å; L395-L605 HydrophobicContact CB-CD1 4.11Å; L395-L605 HydrophobicContact CB-CD2 4.06Å; L395-L605 HydrophobicContact CD1-CD1 4.29Å; L395-L605 HydrophobicContact CD1-CD2 4.29Å; L395-L605 HydrophobicContact CD1-CG 4.47Å; L395-L605 HydrophobicContact CD2-CD1 4.5Å
396	Q	96.3	Very high	95.2	Very high	79 Å²	79	28.3 Å²	28.3	37%	0.369	13%	0.131	S	C	.	.	H	α-helix	trans	-61.6	-42.1	179.6	-175.9	-179.8	2	0	0	111.7	F359 D392 L393 Q399 L400	F359-Q396 HydrophobicContact CD2-CG 3.96Å; F359-Q396 HydrophobicContact CE2-CB 3.92Å; F359-Q396 HydrophobicContact CE2-CG 3.81Å; D392-Q396 VanDerWaalsContact O-CB 3.25Å; D392-Q396 WeakPolarHBondContact O-CB 3.29Å; D392-Q396 PolarHBondContact O-N 3.25Å; L393-Q396 PolarHBondContact O-N 3.07Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q396-L400 WeakPolarHBondContact O-CB 3.26Å; Q396-L400 PolarHBondContact O-N 3.36Å
397	G	95.6	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-43.6	177.6	0	0	0	0	0	112.5	L393 L395 L400 L401	L393-G397 PolarHBondContact O-N 2.86Å; L395-G397 VanDerWaalsContact C-N 3.34Å; L395-G397 PolarHBondContact O-N 3.12Å; G397-L400 PolarHBondContact O-N 3.14Å; G397-L401 WeakPolarHBondContact O-CG 3.36Å; G397-L401 PolarHBondContact O-N 3.06Å
398	I	95.9	Very high	95.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-44.1	175	-68.1	169.6	0	0	0	111.1	L255 A394 L395 L400 L401 S402 L605 F608 T611 C615	L255-I398 HydrophobicContact CD1-CB 4.39Å; L255-I398 HydrophobicContact CD1-CG2 3.69Å; L255-I398 HydrophobicContact CD2-CG2 3.76Å; L255-I398 HydrophobicContact CG-CG2 3.62Å; A394-I398 WeakPolarHBondContact O-CG1 3.24Å; A394-I398 PolarHBondContact O-N 3.45Å; A394-I398 VanDerWaalsContact O-N 3.15Å; L395-I398 PolarHBondContact O-N 2.93Å; I398-L400 VanDerWaalsContact C-N 3.28Å; I398-L400 PolarHBondContact O-N 3.16Å; I398-L401 PolarHBondContact O-N 2.82Å; I398-S402 VanDerWaalsContact O-CB 3.31Å; I398-S402 WeakPolarHBondContact O-CB 3.5Å; I398-S402 PolarHBondContact O-N 3.5Å; I398-L605 HydrophobicContact CD1-CD2 4.06Å; I398-F608 HydrophobicContact CD1-CD2 3.51Å; I398-F608 HydrophobicContact CD1-CE2 3.48Å; I398-F608 VanDerWaalsContact CD1-CE2 3.48Å; I398-F608 HydrophobicContact CG1-CD2 4.43Å; I398-F608 HydrophobicContact CG1-CE2 3.92Å; I398-T611 HydrophobicContact CD1-CG2 4.02Å; I398-T611 HydrophobicContact CG2-CG2 3.78Å; I398-C615 HydrophobicContact CG2-CB 4.06Å; I398-C615 WeakPolarHBondContact CG2-SG 3.44Å
399	Q	95.8	Very high	95.4	Very high	66 Å²	66	21.8 Å²	21.8	31%	0.308	11%	0.105	S	C	.	.	H	α-helix	trans	-61.3	-38.2	177.7	-75.1	175.5	-16.1	0	0	112.1	L255 L395 Q396 Q403	L255-Q399 HydrophobicContact CD1-CG 3.56Å; L395-Q399 HydrophobicContact CD1-CG 4.27Å; L395-Q399 HydrophobicContact CG-CG 4.5Å; L395-Q399 WeakPolarHBondContact O-CB 3.15Å; L395-Q399 VanDerWaalsContact O-CG 3.3Å; L395-Q399 WeakPolarHBondContact O-CG 3.42Å; L395-Q399 PolarHBondContact O-N 2.86Å; Q396-Q399 PolarHBondContact O-N 3.01Å; Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.34Å; Q399-Q403 PolarHBondContact O-N 2.8Å; Q399-Q403 PolarHBondContact O-NE2 3.15Å
400	L	96.1	Very high	95.4	Very high	12 Å²	12	19 Å²	19	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-68.8	-47.7	178.9	-170.6	64.6	0	0	0	111.3	D355 F359 Q396 G397 I398 S402 Q403 W404 L461	D355-L400 HydrophobicContact CB-CD1 3.87Å; F359-L400 HydrophobicContact CB-CD2 3.83Å; F359-L400 HydrophobicContact CD1-CD2 4.08Å; F359-L400 HydrophobicContact CG-CD2 4Å; Q396-L400 WeakPolarHBondContact O-CB 3.26Å; Q396-L400 PolarHBondContact O-N 3.36Å; G397-L400 PolarHBondContact O-N 3.14Å; I398-L400 VanDerWaalsContact C-N 3.28Å; I398-L400 PolarHBondContact O-N 3.16Å; L400-S402 VanDerWaalsContact C-N 3.31Å; L400-S402 PolarHBondContact O-N 3.49Å; L400-Q403 WeakPolarHBondContact O-CB 3.43Å; L400-Q403 PolarHBondContact O-N 3.23Å; L400-W404 HydrophobicContact CD1-CZ2 3.62Å; L400-W404 HydrophobicContact CD2-CH2 3.51Å; L400-W404 HydrophobicContact CD2-CZ2 3.39Å; L400-W404 HydrophobicContact CD2-CZ3 4.39Å; L400-W404 HydrophobicContact CG-CD2 4.2Å; L400-W404 HydrophobicContact CG-CH2 3.73Å; L400-W404 HydrophobicContact CG-CZ2 3.31Å; L400-W404 HydrophobicContact CG-CZ3 4.33Å; L400-W404 PolarHBondContact O-N 3Å; L400-W404 VanDerWaalsContact O-N 3.09Å; L400-L461 HydrophobicContact CD2-CD2 4.17Å
401	L	96.5	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.5	-45.8	173.9	-73.2	167.9	0	0	0	111.7	G397 I398 Q403 W404 S405 I458 L461 M465 L612 C615	G397-L401 WeakPolarHBondContact O-CG 3.36Å; G397-L401 PolarHBondContact O-N 3.06Å; I398-L401 PolarHBondContact O-N 2.82Å; L401-Q403 PolarHBondContact O-N 3.33Å; L401-W404 HydrophobicContact CD2-CE3 4.33Å; L401-W404 HydrophobicContact CD2-CZ3 4.46Å; L401-W404 PolarHBondContact O-N 3.4Å; L401-S405 WeakPolarHBondContact O-CB 3.44Å; L401-S405 PolarHBondContact O-N 3.41Å; L401-S405 PolarHBondContact O-OG 3.44Å; L401-S405 VanDerWaalsContact O-OG 3.08Å; L401-I458 HydrophobicContact CD2-CB 4.41Å; L401-I458 HydrophobicContact CD2-CG2 4.14Å; L401-I458 VanDerWaalsContact CD2-O 3.3Å; L401-I458 WeakPolarHBondContact CD2-O 3.42Å; L401-L461 HydrophobicContact CD1-CD2 4.48Å; L401-L461 HydrophobicContact CD1-CG 4.31Å; L401-L461 HydrophobicContact CD2-CB 3.84Å; L401-L461 HydrophobicContact CD2-CD2 3.87Å; L401-L461 HydrophobicContact CD2-CG 3.91Å; L401-L461 HydrophobicContact CG-CD2 3.89Å; L401-L461 HydrophobicContact CG-CG 4.14Å; L401-M465 HydrophobicContact CD1-CG 4.24Å; L401-L612 HydrophobicContact CD1-CD1 3.43Å; L401-L612 VanDerWaalsContact CD1-CD1 3.43Å; L401-C615 CarbonylContact C-O 3.58Å; L401-C615 HydrophobicContact CB-CB 4.35Å
402	S	96.7	Very high	95.4	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-59.8	-43	176.9	-177.2	0	0	0	0	112.8	L255 P257 I398 L400 W404 A406	L255-S402 WeakPolarHBondContact O-CB 3.31Å; L255-S402 PolarHBondContact O-OG 3.39Å; P257-S402 WeakPolarHBondContact CD-OG 3.32Å; I398-S402 VanDerWaalsContact O-CB 3.31Å; I398-S402 WeakPolarHBondContact O-CB 3.5Å; I398-S402 PolarHBondContact O-N 3.5Å; L400-S402 VanDerWaalsContact C-N 3.31Å; L400-S402 PolarHBondContact O-N 3.49Å; S402-W404 PolarHBondContact O-N 2.62Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 2.88Å
403	Q	94.4	Very high	95.3	Very high	87 Å²	87	16.4 Å²	16.4	41%	0.407	8%	0.079	S	C	.	.	H	α-helix	trans	-61.3	-45.5	177.2	-74.3	166.2	41.2	0	0	111.5	Q399 L400 L401 A406 H407	Q399-Q403 VanDerWaalsContact O-CG 3.23Å; Q399-Q403 WeakPolarHBondContact O-CG 3.34Å; Q399-Q403 PolarHBondContact O-N 2.8Å; Q399-Q403 PolarHBondContact O-NE2 3.15Å; L400-Q403 WeakPolarHBondContact O-CB 3.43Å; L400-Q403 PolarHBondContact O-N 3.23Å; L401-Q403 PolarHBondContact O-N 3.33Å; Q403-A406 PolarHBondContact O-N 3.28Å; Q403-H407 PolarHBondContact O-CD2 2.86Å; Q403-H407 PolarHBondContact O-N 3.19Å
404	W	96	Very high	95.2	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-47.3	179.9	-60.7	-15.6	0	0	0	112.2	I352 H356 L400 L401 S402 A406 H407 V408 V454 M457 I458 L461	I352-W404 HydrophobicContact CG2-CD2 4.32Å; I352-W404 HydrophobicContact CG2-CG 4.33Å; I352-W404 HydrophobicContact CG2-CZ2 4.36Å; H356-W404 HydrophobicContact CB-CH2 3.64Å; H356-W404 HydrophobicContact CB-CZ2 3.81Å; H356-W404 AromaticContact CD2-CH2 3.64Å; L400-W404 HydrophobicContact CD1-CZ2 3.62Å; L400-W404 HydrophobicContact CD2-CH2 3.51Å; L400-W404 HydrophobicContact CD2-CZ2 3.39Å; L400-W404 HydrophobicContact CD2-CZ3 4.39Å; L400-W404 HydrophobicContact CG-CD2 4.2Å; L400-W404 HydrophobicContact CG-CH2 3.73Å; L400-W404 HydrophobicContact CG-CZ2 3.31Å; L400-W404 HydrophobicContact CG-CZ3 4.33Å; L400-W404 PolarHBondContact O-N 3Å; L400-W404 VanDerWaalsContact O-N 3.09Å; L401-W404 HydrophobicContact CD2-CE3 4.33Å; L401-W404 HydrophobicContact CD2-CZ3 4.46Å; L401-W404 PolarHBondContact O-N 3.4Å; S402-W404 PolarHBondContact O-N 2.62Å; W404-A406 VanDerWaalsContact C-N 3.31Å; W404-A406 PolarHBondContact O-N 2.8Å; W404-H407 WeakPolarHBondContact O-CB 3.35Å; W404-H407 PolarHBondContact O-N 2.99Å; W404-H407 VanDerWaalsContact O-N 3.14Å; W404-V408 PolarHBondContact O-N 3.04Å; W404-V408 VanDerWaalsContact O-N 3.09Å; W404-V454 HydrophobicContact CB-CG1 3.87Å; W404-V454 HydrophobicContact CG-CG1 4.49Å; W404-M457 HydrophobicContact CE3-CB 4.26Å; W404-M457 HydrophobicContact CZ3-CB 4.04Å; W404-I458 HydrophobicContact CB-CD1 3.83Å; W404-I458 HydrophobicContact CB-CG1 3.56Å; W404-I458 HydrophobicContact CE3-CG1 4.04Å; W404-L461 HydrophobicContact CH2-CD2 3.92Å; W404-L461 HydrophobicContact CZ3-CB 4.25Å; W404-L461 HydrophobicContact CZ3-CD2 3.64Å
405	S	96.1	Very high	95.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-41.2	176.6	-59.1	0	0	0	0	111.6	L401 H407 V408 M409 C615	L401-S405 WeakPolarHBondContact O-CB 3.44Å; L401-S405 PolarHBondContact O-N 3.41Å; L401-S405 PolarHBondContact O-OG 3.44Å; L401-S405 VanDerWaalsContact O-OG 3.08Å; S405-H407 PolarHBondContact O-N 2.97Å; S405-V408 PolarHBondContact O-N 2.89Å; S405-M409 WeakPolarHBondContact O-CG 3.19Å; S405-M409 PolarHBondContact O-N 3.38Å; S405-C615 VanDerWaalsContact CB-O 3.24Å; S405-C615 WeakPolarHBondContact CB-O 3.39Å; S405-C615 PolarHBondContact OG-O 3.33Å
406	A	94.6	Very high	95.1	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-44.4	174.1	0	0	0	0	0	111.4	P257 S402 Q403 W404 V408 M409 E410	P257-A406 HydrophobicContact CB-CB 4.04Å; P257-A406 HydrophobicContact CG-CB 4.25Å; S402-A406 WeakPolarHBondContact O-CB 3.36Å; S402-A406 PolarHBondContact O-N 2.88Å; Q403-A406 PolarHBondContact O-N 3.28Å; W404-A406 VanDerWaalsContact C-N 3.31Å; W404-A406 PolarHBondContact O-N 2.8Å; A406-V408 PolarHBondContact O-N 3.38Å; A406-M409 PolarHBondContact O-N 3.43Å; A406-E410 WeakPolarHBondContact O-CB 3.15Å; A406-E410 VanDerWaalsContact O-CD 3.29Å; A406-E410 WeakPolarHBondContact O-CG 3.33Å; A406-E410 PolarHBondContact O-N 2.94Å
407	H	92.3	Very high	95	Very high	37 Å²	37	17.7 Å²	17.7	17%	0.171	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-45.3	177.1	-74.9	-43.9	0	0	0	112.9	Q403 W404 S405 E410 V411	Q403-H407 PolarHBondContact O-CD2 2.86Å; Q403-H407 PolarHBondContact O-N 3.19Å; W404-H407 WeakPolarHBondContact O-CB 3.35Å; W404-H407 PolarHBondContact O-N 2.99Å; W404-H407 VanDerWaalsContact O-N 3.14Å; S405-H407 PolarHBondContact O-N 2.97Å; H407-E410 PolarHBondContact O-N 3.48Å; H407-V411 VanDerWaalsContact O-CG2 3.3Å; H407-V411 WeakPolarHBondContact O-CG2 3.36Å; H407-V411 PolarHBondContact O-N 2.96Å
408	V	95.2	Very high	94.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-60.4	-49.8	177.2	178.5	0	0	0	0	110.6	W404 S405 A406 E410 Y412 L451 V454 M455 I458 L618 L621	W404-V408 PolarHBondContact O-N 3.04Å; W404-V408 VanDerWaalsContact O-N 3.09Å; S405-V408 PolarHBondContact O-N 2.89Å; A406-V408 PolarHBondContact O-N 3.38Å; V408-E410 PolarHBondContact O-N 3.42Å; V408-Y412 WeakPolarHBondContact O-CB 3.48Å; V408-Y412 PolarHBondContact O-N 2.89Å; V408-L451 HydrophobicContact CG1-CD2 4.16Å; V408-L451 HydrophobicContact CG2-CD2 4.48Å; V408-V454 HydrophobicContact CG2-CB 4.04Å; V408-V454 HydrophobicContact CG2-CG1 3.63Å; V408-M455 HydrophobicContact CG1-CE 3.57Å; V408-I458 HydrophobicContact CG2-CD1 4.23Å; V408-L618 HydrophobicContact CB-CD2 4.23Å; V408-L618 HydrophobicContact CG1-CD2 4.14Å; V408-L621 HydrophobicContact CG1-CD1 4.49Å
409	M	95	Very high	94.7	Very high	14 Å²	14	21.2 Å²	21.2	7%	0.069	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-36.1	-178.9	-66.9	-56.3	92.1	0	0	112.9	S405 A406 Y412 S413 L618 L621	S405-M409 WeakPolarHBondContact O-CG 3.19Å; S405-M409 PolarHBondContact O-N 3.38Å; A406-M409 PolarHBondContact O-N 3.43Å; M409-Y412 PolarHBondContact O-N 2.99Å; M409-S413 WeakPolarHBondContact O-CB 3.25Å; M409-S413 PolarHBondContact O-N 2.84Å; M409-L618 HydrophobicContact CE-CB 4.44Å; M409-L618 HydrophobicContact CE-CD2 3.53Å; M409-L618 HydrophobicContact SD-CD2 4.47Å; M409-L621 HydrophobicContact CE-CD1 3.81Å; M409-L621 HydrophobicContact CE-CD2 3.65Å; M409-L621 HydrophobicContact CE-CG 3.61Å
410	E	94.3	Very high	94.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-70.4	-39.7	179.8	-71.9	165.8	-171	0	0	111.8	K260 H261 L302 Q342 A406 H407 V408 W414	K260-E410 IonicContact NZ-OE1 3.55Å; K260-E410 PolarHBondContact NZ-OE1 3.24Å; K260-E410 IonicContact NZ-OE2 2.72Å; H261-E410 IonicContact CD2-OE1 3.59Å; H261-E410 IonicContact CE1-OE1 3.71Å; H261-E410 IonicContact NE2-OE1 2.81Å; H261-E410 PolarHBondContact NE2-OE1 3.43Å; L302-E410 HydrophobicContact CD1-CB 4.07Å; L302-E410 HydrophobicContact CD1-CG 3.72Å; L302-E410 HydrophobicContact CD2-CG 4.29Å; Q342-E410 PolarHBondContact NE2-OE2 3.13Å; A406-E410 WeakPolarHBondContact O-CB 3.15Å; A406-E410 VanDerWaalsContact O-CD 3.29Å; A406-E410 WeakPolarHBondContact O-CG 3.33Å; A406-E410 PolarHBondContact O-N 2.94Å; H407-E410 PolarHBondContact O-N 3.48Å; V408-E410 PolarHBondContact O-N 3.42Å; E410-W414 WeakPolarHBondContact O-CB 3.21Å; E410-W414 PolarHBondContact O-N 2.88Å
411	V	93.6	Very high	94.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-47.2	172.8	171.5	0	0	0	0	110.3	I345 H407 W414 K415 Y443	I345-V411 HydrophobicContact CB-CG2 4.47Å; H407-V411 VanDerWaalsContact O-CG2 3.3Å; H407-V411 WeakPolarHBondContact O-CG2 3.36Å; H407-V411 PolarHBondContact O-N 2.96Å; V411-W414 PolarHBondContact O-N 3.17Å; V411-K415 HydrophobicContact CG1-CG 4.48Å; V411-K415 WeakPolarHBondContact O-CG 3.46Å; V411-K415 PolarHBondContact O-N 2.67Å; V411-K415 VanDerWaalsContact O-N 3.08Å; V411-Y443 HydrophobicContact CG1-CE1 4.34Å
412	Y	95	Very high	94	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.035	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-49.7	175.9	173.9	-116.4	0	0	0	112.3	V408 M409 W414 K415 L416 L621 M644	V408-Y412 WeakPolarHBondContact O-CB 3.48Å; V408-Y412 PolarHBondContact O-N 2.89Å; M409-Y412 PolarHBondContact O-N 2.99Å; Y412-W414 VanDerWaalsContact C-N 3.33Å; Y412-W414 PolarHBondContact O-N 3.22Å; Y412-K415 PolarHBondContact O-N 3.14Å; Y412-K415 VanDerWaalsContact O-N 3.15Å; Y412-L416 HydrophobicContact CD1-CD1 4.24Å; Y412-L416 HydrophobicContact CD2-CG 4.3Å; Y412-L416 HydrophobicContact CE1-CD1 3.65Å; Y412-L416 HydrophobicContact CE1-CG 4.33Å; Y412-L416 HydrophobicContact CE2-CD1 4.05Å; Y412-L416 HydrophobicContact CE2-CD2 3.8Å; Y412-L416 HydrophobicContact CE2-CG 3.9Å; Y412-L416 PolarHBondContact O-N 3.07Å; Y412-L621 HydrophobicContact CD1-CD2 3.7Å; Y412-L621 HydrophobicContact CD2-CD2 3.8Å; Y412-L621 HydrophobicContact CE1-CD2 4.06Å; Y412-L621 HydrophobicContact CE2-CD2 4.18Å; Y412-L621 HydrophobicContact CG-CD2 3.53Å; Y412-M644 HydrophobicContact CD2-CE 4.46Å; Y412-M644 HydrophobicContact CD2-CG 4.22Å; Y412-M644 HydrophobicContact CE2-CG 3.66Å; Y412-M644 HydrophobicContact CE2-SD 4.32Å
413	S	94.9	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.9	-44.4	178.7	-175.5	0	0	0	0	112.1	V304 V305 Q312 M409 K415 L416	V304-S413 WeakPolarHBondContact CG1-OG 3.4Å; V305-S413 VanDerWaalsContact C-OG 3.32Å; Q312-S413 VanDerWaalsContact OE1-CB 3.24Å; Q312-S413 PolarHBondContact OE1-OG 3.5Å; M409-S413 WeakPolarHBondContact O-CB 3.25Å; M409-S413 PolarHBondContact O-N 2.84Å; S413-K415 PolarHBondContact O-N 3.25Å; S413-L416 PolarHBondContact O-N 2.95Å
414	W	94.2	Very high	93.4	Very high	51 Å²	51	33.8 Å²	33.8	19%	0.193	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-39.9	177.6	-172.9	91.4	0	0	0	112.7	Y343 E410 V411 Y412 V417 H418	Y343-W414 HydrophobicContact CD1-CB 3.58Å; Y343-W414 AromaticContact CD1-CD1 3.96Å; Y343-W414 HydrophobicContact CD1-CD2 4.43Å; Y343-W414 AromaticContact CD1-CG 3.7Å; Y343-W414 HydrophobicContact CD1-CG 3.7Å; Y343-W414 AromaticContact CD2-CD1 3.65Å; Y343-W414 HydrophobicContact CD2-CD2 4.35Å; Y343-W414 HydrophobicContact CD2-CG 4.02Å; Y343-W414 AromaticContact CD2-NE1 3.74Å; Y343-W414 HydrophobicContact CE1-CB 3.49Å; Y343-W414 VanDerWaalsContact CE1-CB 3.49Å; Y343-W414 AromaticContact CE1-CD1 3.66Å; Y343-W414 AromaticContact CE1-CG 3.72Å; Y343-W414 HydrophobicContact CE1-CG 3.72Å; Y343-W414 AromaticContact CE2-CD1 3.32Å; Y343-W414 HydrophobicContact CE2-CG 4.04Å; Y343-W414 AromaticContact CE2-NE1 3.64Å; Y343-W414 HydrophobicContact CG-CB 4.23Å; Y343-W414 AromaticContact CG-CD1 3.95Å; Y343-W414 HydrophobicContact CG-CD2 4.19Å; Y343-W414 AromaticContact CG-CG 3.85Å; Y343-W414 HydrophobicContact CG-CG 3.85Å; Y343-W414 AromaticContact CZ-CD1 3.31Å; Y343-W414 AromaticContact CZ-CG 3.87Å; E410-W414 WeakPolarHBondContact O-CB 3.21Å; E410-W414 PolarHBondContact O-N 2.88Å; V411-W414 PolarHBondContact O-N 3.17Å; Y412-W414 VanDerWaalsContact C-N 3.33Å; Y412-W414 PolarHBondContact O-N 3.22Å; W414-V417 WeakPolarHBondContact O-CG2 3.46Å; W414-V417 PolarHBondContact O-N 2.77Å; W414-H418 AromaticContact CD1-CE1 3.72Å; W414-H418 AromaticContact CD1-ND1 3.71Å; W414-H418 AromaticContact CD2-ND1 3.53Å; W414-H418 AromaticContact CE2-CE1 3.65Å; W414-H418 AromaticContact CE2-CG 3.94Å; W414-H418 AromaticContact CE2-ND1 3.32Å; W414-H418 VanDerWaalsContact CE2-ND1 3.32Å; W414-H418 HydrophobicContact CE3-CB 4.33Å; W414-H418 AromaticContact CG-ND1 3.79Å; W414-H418 HydrophobicContact CH2-CB 4.07Å; W414-H418 HydrophobicContact CZ2-CB 4.31Å; W414-H418 AromaticContact CZ2-CG 3.91Å; W414-H418 AromaticContact CZ2-ND1 3.76Å; W414-H418 HydrophobicContact CZ3-CB 4.08Å; W414-H418 AromaticContact NE1-CE1 3.33Å; W414-H418 PolarHBondContact NE1-CE1 3.09Å; W414-H418 VanDerWaalsContact NE1-CE1 3.33Å; W414-H418 AromaticContact NE1-ND1 3.44Å; W414-H418 PolarHBondContact NE1-ND1 3.43Å; W414-H418 PolarHBondContact O-N 3.22Å; W414-H418 PolarHBondContact O-ND1 3.43Å
415	K	93.8	Very high	93.1	Very high	19 Å²	19	35.4 Å²	35.4	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-34	179.1	-66.7	-82	-176.6	165.1	0	112.2	V411 Y412 S413 V417 H418 N442 Y443 E447	V411-K415 HydrophobicContact CG1-CG 4.48Å; V411-K415 WeakPolarHBondContact O-CG 3.46Å; V411-K415 PolarHBondContact O-N 2.67Å; V411-K415 VanDerWaalsContact O-N 3.08Å; Y412-K415 PolarHBondContact O-N 3.14Å; Y412-K415 VanDerWaalsContact O-N 3.15Å; S413-K415 PolarHBondContact O-N 3.25Å; K415-V417 VanDerWaalsContact C-N 3.32Å; K415-V417 PolarHBondContact O-N 3.49Å; K415-H418 CarbonylContact O-C 2.88Å; K415-H418 PolarHBondContact O-N 2.92Å; K415-N442 HydrophobicContact CD-CB 4.13Å; K415-N442 WeakPolarHBondContact CD-O 3.26Å; K415-N442 PolarHBondContact NZ-O 2.86Å; K415-N442 PolarHBondContact O-ND2 3.38Å; K415-Y443 HydrophobicContact CD-CE1 4.38Å; K415-Y443 HydrophobicContact CG-CE1 3.92Å; K415-E447 IonicContact NZ-OE1 3.64Å; K415-E447 PolarHBondContact NZ-OE1 3.18Å; K415-E447 IonicContact NZ-OE2 2.98Å
416	L	95.3	Very high	92.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-37	176.7	-72.5	-175.4	0	0	0	113.3	D310 Q312 Y412 S413 Y435 A438 T439 F627	D310-L416 HydrophobicContact CB-CD1 4.41Å; Q312-L416 HydrophobicContact CG-CB 4Å; Q312-L416 HydrophobicContact CG-CD1 3.96Å; Y412-L416 HydrophobicContact CD1-CD1 4.24Å; Y412-L416 HydrophobicContact CD2-CG 4.3Å; Y412-L416 HydrophobicContact CE1-CD1 3.65Å; Y412-L416 HydrophobicContact CE1-CG 4.33Å; Y412-L416 HydrophobicContact CE2-CD1 4.05Å; Y412-L416 HydrophobicContact CE2-CD2 3.8Å; Y412-L416 HydrophobicContact CE2-CG 3.9Å; Y412-L416 PolarHBondContact O-N 3.07Å; S413-L416 PolarHBondContact O-N 2.95Å; L416-Y435 HydrophobicContact CD2-CE2 4.13Å; L416-A438 HydrophobicContact CD2-CB 4.18Å; L416-T439 HydrophobicContact CD2-CG2 4.1Å; L416-F627 HydrophobicContact CB-CE2 4.27Å; L416-F627 HydrophobicContact CB-CZ 4.37Å; L416-F627 HydrophobicContact CD1-CE2 4.27Å; L416-F627 HydrophobicContact CD2-CE2 3.89Å; L416-F627 HydrophobicContact CD2-CZ 4.37Å; L416-F627 HydrophobicContact CG-CE2 4.37Å
417	V	93.1	Very high	92.7	Very high	56 Å²	56	52.2 Å²	52.2	34%	0.339	25%	0.252	S	S	.	.	H	α-helix	trans	-90.1	-12.7	179.5	-54.9	0	0	0	0	113.6	V304 Q312 W414 K415 P419	V304-V417 HydrophobicContact CB-CG2 4.26Å; V304-V417 HydrophobicContact CG1-CG1 4.01Å; V304-V417 HydrophobicContact CG1-CG2 3.7Å; V304-V417 HydrophobicContact CG2-CG2 3.61Å; Q312-V417 HydrophobicContact CB-CG1 3.57Å; Q312-V417 HydrophobicContact CG-CG1 4.03Å; W414-V417 WeakPolarHBondContact O-CG2 3.46Å; W414-V417 PolarHBondContact O-N 2.77Å; K415-V417 VanDerWaalsContact C-N 3.32Å; K415-V417 PolarHBondContact O-N 3.49Å; V417-P419 WeakPolarHBondContact O-CD 3.13Å
418	H	92.1	Very high	92.7	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.185	25%	0.246	C	C	.	.	S	Bend	trans	-118.8	68.8	175.4	-58.5	97.8	0	0	0	110.5	W414 K415 N442	W414-H418 AromaticContact CD1-CE1 3.72Å; W414-H418 AromaticContact CD1-ND1 3.71Å; W414-H418 AromaticContact CD2-ND1 3.53Å; W414-H418 AromaticContact CE2-CE1 3.65Å; W414-H418 AromaticContact CE2-CG 3.94Å; W414-H418 AromaticContact CE2-ND1 3.32Å; W414-H418 VanDerWaalsContact CE2-ND1 3.32Å; W414-H418 HydrophobicContact CE3-CB 4.33Å; W414-H418 AromaticContact CG-ND1 3.79Å; W414-H418 HydrophobicContact CH2-CB 4.07Å; W414-H418 HydrophobicContact CZ2-CB 4.31Å; W414-H418 AromaticContact CZ2-CG 3.91Å; W414-H418 AromaticContact CZ2-ND1 3.76Å; W414-H418 HydrophobicContact CZ3-CB 4.08Å; W414-H418 AromaticContact NE1-CE1 3.33Å; W414-H418 PolarHBondContact NE1-CE1 3.09Å; W414-H418 VanDerWaalsContact NE1-CE1 3.33Å; W414-H418 AromaticContact NE1-ND1 3.44Å; W414-H418 PolarHBondContact NE1-ND1 3.43Å; W414-H418 PolarHBondContact O-N 3.22Å; W414-H418 PolarHBondContact O-ND1 3.43Å; K415-H418 CarbonylContact O-C 2.88Å; K415-H418 PolarHBondContact O-N 2.92Å; H418-N442 PolarHBondContact O-ND2 2.82Å
419	P	93	Very high	92.7	Very high	34 Å²	34	52.9 Å²	52.9	22%	0.221	26%	0.26	C	S	.	.			trans	-61	140.7	176.5	26.7	-34.2	0	0	0	110.5	V417 E434 R437 A438	V417-P419 WeakPolarHBondContact O-CD 3.13Å; P419-E434 HydrophobicContact CB-CG 4.5Å; P419-E434 HydrophobicContact CG-CG 4.26Å; P419-R437 HydrophobicContact CB-CB 3.92Å; P419-A438 HydrophobicContact CB-CB 4.2Å
420	T	92.7	Very high	92.5	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	29%	0.285	C	S	.	.			trans	-71	172.6	179.7	-155.3	0	0	0	0	111.9	N425 C428 R437	T420-N425 HydrophobicContact CG2-CB 4.22Å; T420-C428 HydrophobicContact CG2-CB 4.04Å; T420-R437 PolarHBondContact N-O 3.35Å; T420-R437 WeakPolarHBondContact O-CD 3.44Å; T420-R437 PolarHBondContact O-NH1 3.4Å
421	D	91.2	Very high	92.4	Very high	59 Å²	59	64.5 Å²	64.5	32%	0.316	32%	0.322	S	S	.	.			trans	-147.2	176.5	177	62.3	18.4	0	0	0	110.7	Y423 S424 N425	D421-Y423 HydrophobicContact CB-CD2 4.5Å; D421-Y423 PolarHBondContact O-N 3.3Å; D421-Y423 VanDerWaalsContact O-N 3.14Å; D421-Y423 WeakPolarHBondContact OD1-CB 3.27Å; D421-Y423 PolarHBondContact OD1-N 3.32Å; D421-Y423 VanDerWaalsContact OD1-N 3.07Å; D421-S424 PolarHBondContact O-N 2.78Å; D421-S424 WeakPolarHBondContact OD1-CB 3.47Å; D421-S424 PolarHBondContact OD1-N 3.12Å; D421-S424 PolarHBondContact OD1-OG 3.28Å; D421-N425 PolarHBondContact O-N 3.26Å
422	K	90.3	Very high	92.4	Very high	81 Å²	81	64.9 Å²	64.9	35%	0.352	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.5	178.3	62.6	166.5	160.8	-148.1	0	114.6	N425 D430	K422-N425 WeakPolarHBondContact CA-O 3.41Å; K422-D430 WeakPolarHBondContact CD-OD1 3.05Å; K422-D430 WeakPolarHBondContact CE-OD1 3.39Å; K422-D430 VanDerWaalsContact CG-OD1 3.29Å; K422-D430 WeakPolarHBondContact CG-OD1 3.44Å; K422-D430 VanDerWaalsContact NZ-CG 3.26Å; K422-D430 IonicContact NZ-OD1 3.63Å; K422-D430 PolarHBondContact NZ-OD1 2.62Å; K422-D430 VanDerWaalsContact NZ-OD1 3.08Å; K422-D430 IonicContact NZ-OD2 3.13Å; K422-D430 PolarHBondContact NZ-OD2 3.19Å
423	Y	89.5	Confident	92.4	Very high	185 Å²	185	65.5 Å²	65.5	73%	0.725	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-37.8	-177.3	-57	-75.1	0	0	0	110.2	D421	D421-Y423 HydrophobicContact CB-CD2 4.5Å; D421-Y423 PolarHBondContact O-N 3.3Å; D421-Y423 VanDerWaalsContact O-N 3.14Å; D421-Y423 WeakPolarHBondContact OD1-CB 3.27Å; D421-Y423 PolarHBondContact OD1-N 3.32Å; D421-Y423 VanDerWaalsContact OD1-N 3.07Å
424	S	89	Confident	92.4	Very high	98 Å²	98	70 Å²	70	69%	0.685	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-40.3	179.2	-51	0	0	0	0	112.1	D421	D421-S424 PolarHBondContact O-N 2.78Å; D421-S424 WeakPolarHBondContact OD1-CB 3.47Å; D421-S424 PolarHBondContact OD1-N 3.12Å; D421-S424 PolarHBondContact OD1-OG 3.28Å
425	N	90.9	Very high	92.5	Very high	39 Å²	39	67.8 Å²	67.8	21%	0.209	34%	0.341	C	S	.	.			trans	-129.1	112.6	176.6	-175.7	-7.3	0	0	0	110.9	T420 D421 K422 E427 C428 Y441	T420-N425 HydrophobicContact CG2-CB 4.22Å; D421-N425 PolarHBondContact O-N 3.26Å; K422-N425 WeakPolarHBondContact CA-O 3.41Å; N425-E427 PolarHBondContact O-N 3.07Å; N425-E427 WeakPolarHBondContact OD1-CB 3.44Å; N425-E427 PolarHBondContact OD1-N 3.02Å; N425-C428 HydrophobicContact CB-CB 4.13Å; N425-C428 VanDerWaalsContact O-CB 3.3Å; N425-C428 WeakPolarHBondContact O-CB 3.43Å; N425-C428 PolarHBondContact O-N 3.22Å; N425-C428 VanDerWaalsContact O-N 3.07Å; N425-Y441 PolarHBondContact ND2-O 3.1Å
426	K	90.9	Very high	92.7	Very high	199 Å²	199	68 Å²	68	87%	0.865	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.1	-179.1	-65.8	-178	-179.1	175.8	0	114	C428	K426-C428 VanDerWaalsContact C-N 3.32Å
427	E	90.7	Very high	92.6	Very high	156 Å²	156	70.5 Å²	70.5	73%	0.729	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.2	178	-60.3	-175.5	169.1	0	0	112.5	N425 P429	N425-E427 PolarHBondContact O-N 3.07Å; N425-E427 WeakPolarHBondContact OD1-CB 3.44Å; N425-E427 PolarHBondContact OD1-N 3.02Å; E427-P429 VanDerWaalsContact O-CD 3.3Å; E427-P429 WeakPolarHBondContact O-CD 3.46Å
428	C	93.1	Very high	92.7	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.041	34%	0.336	C	S	.	.	S	Bend	trans	-79.7	118.5	179.1	-176.9	0	0	0	0	111.2	T420 N425 K426 Y441	T420-C428 HydrophobicContact CG2-CB 4.04Å; N425-C428 HydrophobicContact CB-CB 4.13Å; N425-C428 VanDerWaalsContact O-CB 3.3Å; N425-C428 WeakPolarHBondContact O-CB 3.43Å; N425-C428 PolarHBondContact O-N 3.22Å; N425-C428 VanDerWaalsContact O-N 3.07Å; K426-C428 VanDerWaalsContact C-N 3.32Å; C428-Y441 HydrophobicContact CB-CD1 4.48Å; C428-Y441 HydrophobicContact CB-CG 4.24Å
429	P	93.7	Very high	92.9	Very high	47 Å²	47	65.9 Å²	65.9	31%	0.305	33%	0.327	S	S	.	.			trans	-67.9	146.8	174.2	-19.4	33.6	0	0	0	112.7	E427 N431 A432	E427-P429 VanDerWaalsContact O-CD 3.3Å; E427-P429 WeakPolarHBondContact O-CD 3.46Å; P429-N431 WeakPolarHBondContact CB-OD1 3.42Å; P429-N431 PolarHBondContact O-N 2.85Å; P429-A432 HydrophobicContact CB-CB 4.32Å; P429-A432 WeakPolarHBondContact O-CB 3.35Å; P429-A432 PolarHBondContact O-N 3.17Å
430	D	91.3	Very high	93	Very high	112 Å²	112	68.6 Å²	68.6	60%	0.599	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.2	175	-80.6	-32.6	0	0	0	113.1	K422	K422-D430 WeakPolarHBondContact CD-OD1 3.05Å; K422-D430 WeakPolarHBondContact CE-OD1 3.39Å; K422-D430 VanDerWaalsContact CG-OD1 3.29Å; K422-D430 WeakPolarHBondContact CG-OD1 3.44Å; K422-D430 VanDerWaalsContact NZ-CG 3.26Å; K422-D430 IonicContact NZ-OD1 3.63Å; K422-D430 PolarHBondContact NZ-OD1 2.62Å; K422-D430 VanDerWaalsContact NZ-OD1 3.08Å; K422-D430 IonicContact NZ-OD2 3.13Å; K422-D430 PolarHBondContact NZ-OD2 3.19Å
431	N	92.7	Very high	93.1	Very high	146 Å²	146	70 Å²	70	78%	0.781	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	0.2	-179.8	66.6	-26.2	0	0	0	113.5	P429 E433	P429-N431 WeakPolarHBondContact CB-OD1 3.42Å; P429-N431 PolarHBondContact O-N 2.85Å; N431-E433 PolarHBondContact O-N 3.46Å
432	A	93.2	Very high	93.3	Very high	10 Å²	10	67.9 Å²	67.9	8%	0.083	33%	0.326	C	S	.	.			trans	-64.2	134.2	177.4	0	0	0	0	0	110.4	P429 R437 Y441	P429-A432 HydrophobicContact CB-CB 4.32Å; P429-A432 WeakPolarHBondContact O-CB 3.35Å; P429-A432 PolarHBondContact O-N 3.17Å; A432-R437 HydrophobicContact CB-CG 3.68Å; A432-R437 WeakPolarHBondContact O-CD 3.12Å; A432-R437 PolarHBondContact O-NE 3.08Å; A432-R437 VanDerWaalsContact O-NE 3.08Å; A432-Y441 HydrophobicContact CB-CD2 4.43Å; A432-Y441 HydrophobicContact CB-CE2 4.15Å
433	E	95.1	Very high	93.5	Very high	22 Å²	22	64.4 Å²	64.4	10%	0.103	31%	0.31	C	S	.	.			trans	-69.3	156.9	-179.1	67.1	-172.1	112.8	0	0	111.9	N431 Y435 E436 R437 R634 R635 M642	N431-E433 PolarHBondContact O-N 3.46Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 3.29Å; E433-E436 HydrophobicContact CG-CB 4.1Å; E433-E436 PolarHBondContact O-N 3.08Å; E433-E436 VanDerWaalsContact O-N 3.08Å; E433-R437 PolarHBondContact O-N 3.08Å; E433-R634 VanDerWaalsContact CB-NH2 3.26Å; E433-R634 IonicContact OE1-NH2 3.67Å; E433-R634 IonicContact OE2-CZ 3.5Å; E433-R634 IonicContact OE2-NH2 3.39Å; E433-R634 PolarHBondContact OE2-NH2 3.47Å; E433-R635 IonicContact OE1-CZ 3.47Å; E433-R635 IonicContact OE1-NE 3.46Å; E433-R635 PolarHBondContact OE1-NE 3.45Å; E433-R635 IonicContact OE1-NH2 2.71Å; E433-R635 PolarHBondContact OE1-NH2 3.23Å; E433-R635 IonicContact OE2-NE 3.7Å; E433-M642 HydrophobicContact CG-CE 4.13Å; E433-M642 HydrophobicContact CG-SD 4.33Å
434	E	94.9	Very high	93.7	Very high	96 Å²	96	59.5 Å²	59.5	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-43.1	-170.3	-172.8	171.2	-158.6	0	0	113.1	P419 E436 R437 A438 F627	P419-E434 HydrophobicContact CB-CG 4.5Å; P419-E434 HydrophobicContact CG-CG 4.26Å; E434-E436 PolarHBondContact O-N 3.44Å; E434-R437 CarbonylContact O-C 3.55Å; E434-R437 PolarHBondContact O-N 3.34Å; E434-A438 WeakPolarHBondContact O-CB 3.26Å; E434-A438 PolarHBondContact O-N 2.95Å; E434-F627 HydrophobicContact CG-CE1 4.32Å
435	Y	96.8	Very high	94	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-38	178.7	-170.7	-114.9	0	0	0	112.7	L416 E433 R437 A438 T439 R624 F627 F638 M642	L416-Y435 HydrophobicContact CD2-CE2 4.13Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 3.29Å; Y435-R437 VanDerWaalsContact C-N 3.32Å; Y435-R437 PolarHBondContact O-N 3.03Å; Y435-A438 WeakPolarHBondContact O-CB 3.42Å; Y435-A438 PolarHBondContact O-N 3.44Å; Y435-A438 VanDerWaalsContact O-N 3.16Å; Y435-T439 HydrophobicContact CD2-CG2 4.29Å; Y435-T439 HydrophobicContact CE1-CG2 4.27Å; Y435-T439 HydrophobicContact CE2-CG2 3.8Å; Y435-T439 PolarHBondContact O-N 3.19Å; Y435-T439 PolarHBondContact O-OG1 3.42Å; Y435-T439 VanDerWaalsContact O-OG1 3.06Å; Y435-R624 HydrophobicContact CE1-CB 4.3Å; Y435-R624 HydrophobicContact CE2-CB 4.14Å; Y435-R624 WeakPolarHBondContact OH-CD 3.41Å; Y435-F627 HydrophobicContact CD2-CB 3.71Å; Y435-F627 AromaticContact CD2-CD1 3.87Å; Y435-F627 HydrophobicContact CD2-CD1 3.87Å; Y435-F627 AromaticContact CD2-CD2 3.36Å; Y435-F627 HydrophobicContact CD2-CD2 3.36Å; Y435-F627 HydrophobicContact CD2-CE1 4.33Å; Y435-F627 AromaticContact CD2-CE2 3.91Å; Y435-F627 HydrophobicContact CD2-CE2 3.91Å; Y435-F627 AromaticContact CD2-CG 3.36Å; Y435-F627 HydrophobicContact CD2-CG 3.36Å; Y435-F627 HydrophobicContact CD2-CZ 4.35Å; Y435-F627 HydrophobicContact CE2-CB 4.34Å; Y435-F627 AromaticContact CE2-CD2 3.66Å; Y435-F627 HydrophobicContact CE2-CD2 3.66Å; Y435-F627 HydrophobicContact CE2-CE2 4.19Å; Y435-F627 HydrophobicContact CE2-CG 4.07Å; Y435-F627 HydrophobicContact CG-CB 4.05Å; Y435-F627 HydrophobicContact CG-CD1 4.39Å; Y435-F627 HydrophobicContact CG-CD2 4.46Å; Y435-F627 HydrophobicContact CG-CG 4.06Å; Y435-F638 HydrophobicContact CD1-CB 4.26Å; Y435-F638 AromaticContact CD1-CD1 3.87Å; Y435-F638 HydrophobicContact CD1-CD1 3.87Å; Y435-F638 AromaticContact CD1-CD2 3.62Å; Y435-F638 HydrophobicContact CD1-CD2 3.62Å; Y435-F638 HydrophobicContact CD1-CE1 4.06Å; Y435-F638 AromaticContact CD1-CE2 3.79Å; Y435-F638 HydrophobicContact CD1-CE2 3.79Å; Y435-F638 AromaticContact CD1-CG 3.65Å; Y435-F638 HydrophobicContact CD1-CG 3.65Å; Y435-F638 HydrophobicContact CD1-CZ 4.01Å; Y435-F638 HydrophobicContact CE1-CB 4.34Å; Y435-F638 AromaticContact CE1-CD2 3.87Å; Y435-F638 HydrophobicContact CE1-CD2 3.87Å; Y435-F638 HydrophobicContact CE1-CE2 4.31Å; Y435-F638 HydrophobicContact CE1-CG 4.07Å; Y435-F638 HydrophobicContact CG-CD2 4.32Å; Y435-F638 HydrophobicContact CG-CE1 4.28Å; Y435-F638 HydrophobicContact CG-CE2 4.01Å; Y435-F638 HydrophobicContact CG-CZ 4Å; Y435-M642 HydrophobicContact CD1-CB 4.04Å; Y435-M642 HydrophobicContact CD1-SD 4.4Å; Y435-M642 HydrophobicContact CE1-CB 4.07Å; Y435-M642 WeakPolarHBondContact CE1-O 3.37Å
436	E	96.5	Very high	94.2	Very high	23 Å²	23	61.2 Å²	61.2	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-37.2	175.7	-167.1	175.8	-153.9	0	0	111.9	E433 E434 A438 R440 Y441 M642	E433-E436 HydrophobicContact CG-CB 4.1Å; E433-E436 PolarHBondContact O-N 3.08Å; E433-E436 VanDerWaalsContact O-N 3.08Å; E434-E436 PolarHBondContact O-N 3.44Å; E436-A438 VanDerWaalsContact C-N 3.32Å; E436-R440 HydrophobicContact CG-CB 4.01Å; E436-R440 PolarHBondContact O-N 2.94Å; E436-R440 VanDerWaalsContact O-N 3.14Å; E436-R440 WeakPolarHBondContact OE1-CD 3.17Å; E436-R440 IonicContact OE1-CZ 2.78Å; E436-R440 IonicContact OE1-NH1 2.66Å; E436-R440 PolarHBondContact OE1-NH1 3.49Å; E436-Y441 HydrophobicContact CG-CD2 3.8Å; E436-Y441 HydrophobicContact CG-CE2 3.59Å; E436-Y441 PolarHBondContact O-N 3.5Å; E436-M642 HydrophobicContact CB-CE 3.79Å; E436-M642 HydrophobicContact CB-CG 4.06Å; E436-M642 HydrophobicContact CB-SD 3.8Å; E436-M642 HydrophobicContact CG-CE 3.9Å; E436-M642 HydrophobicContact CG-CG 3.96Å; E436-M642 HydrophobicContact CG-SD 4.24Å
437	R	95.1	Very high	94.4	Very high	57 Å²	57	53 Å²	53	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-25.7	173.8	-64.3	-170.4	-67.1	110.6	1.4	113	P419 T420 A432 E433 E434 Y435 N442	P419-R437 HydrophobicContact CB-CB 3.92Å; T420-R437 PolarHBondContact N-O 3.35Å; T420-R437 WeakPolarHBondContact O-CD 3.44Å; T420-R437 PolarHBondContact O-NH1 3.4Å; A432-R437 HydrophobicContact CB-CG 3.68Å; A432-R437 WeakPolarHBondContact O-CD 3.12Å; A432-R437 PolarHBondContact O-NE 3.08Å; A432-R437 VanDerWaalsContact O-NE 3.08Å; E433-R437 PolarHBondContact O-N 3.08Å; E434-R437 CarbonylContact O-C 3.55Å; E434-R437 PolarHBondContact O-N 3.34Å; Y435-R437 VanDerWaalsContact C-N 3.32Å; Y435-R437 PolarHBondContact O-N 3.03Å; R437-N442 WeakPolarHBondContact O-CB 3.4Å
438	A	94.8	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-78.8	-33	176.2	0	0	0	0	0	112.6	L416 P419 E434 Y435 E436 N442	L416-A438 HydrophobicContact CD2-CB 4.18Å; P419-A438 HydrophobicContact CB-CB 4.2Å; E434-A438 WeakPolarHBondContact O-CB 3.26Å; E434-A438 PolarHBondContact O-N 2.95Å; Y435-A438 WeakPolarHBondContact O-CB 3.42Å; Y435-A438 PolarHBondContact O-N 3.44Å; Y435-A438 VanDerWaalsContact O-N 3.16Å; E436-A438 VanDerWaalsContact C-N 3.32Å; A438-N442 VanDerWaalsContact O-CB 3.26Å; A438-N442 WeakPolarHBondContact O-CB 3.47Å; A438-N442 PolarHBondContact O-ND2 3.15Å
439	T	96.1	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-90.2	-179.7	62.8	0	0	0	0	111.9	L416 Y435 Y441 N442 Y443 M642 M644	L416-T439 HydrophobicContact CD2-CG2 4.1Å; Y435-T439 HydrophobicContact CD2-CG2 4.29Å; Y435-T439 HydrophobicContact CE1-CG2 4.27Å; Y435-T439 HydrophobicContact CE2-CG2 3.8Å; Y435-T439 PolarHBondContact O-N 3.19Å; Y435-T439 PolarHBondContact O-OG1 3.42Å; Y435-T439 VanDerWaalsContact O-OG1 3.06Å; T439-Y441 VanDerWaalsContact C-N 3.32Å; T439-Y441 PolarHBondContact O-N 3.34Å; T439-Y441 VanDerWaalsContact O-N 3.08Å; T439-N442 PolarHBondContact O-N 3.39Å; T439-Y443 WeakPolarHBondContact O-CD2 3.31Å; T439-M642 PolarHBondContact OG1-O 2.77Å; T439-M642 VanDerWaalsContact OG1-O 3.12Å; T439-M644 HydrophobicContact CG2-CG 4.25Å; T439-M644 HydrophobicContact CG2-SD 3.93Å
440	R	95	Very high	94.9	Very high	91 Å²	91	45.6 Å²	45.6	34%	0.343	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-50	-168.9	-174.9	-174.8	-178.9	-179.3	5.9	114.5	E436 E641 I647	E436-R440 HydrophobicContact CG-CB 4.01Å; E436-R440 PolarHBondContact O-N 2.94Å; E436-R440 VanDerWaalsContact O-N 3.14Å; E436-R440 WeakPolarHBondContact OE1-CD 3.17Å; E436-R440 IonicContact OE1-CZ 2.78Å; E436-R440 IonicContact OE1-NH1 2.66Å; E436-R440 PolarHBondContact OE1-NH1 3.49Å; R440-E641 WeakPolarHBondContact CB-O 2.99Å; R440-E641 WeakPolarHBondContact CD-O 3.33Å; R440-E641 WeakPolarHBondContact CG-O 3.42Å; R440-I647 HydrophobicContact CB-CD1 4.19Å
441	Y	94.6	Very high	95.2	Very high	39 Å²	39	40.4 Å²	40.4	15%	0.153	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.4	-175.1	-66	-66.1	0	0	0	114.1	N425 C428 A432 E436 T439	N425-Y441 PolarHBondContact ND2-O 3.1Å; C428-Y441 HydrophobicContact CB-CD1 4.48Å; C428-Y441 HydrophobicContact CB-CG 4.24Å; A432-Y441 HydrophobicContact CB-CD2 4.43Å; A432-Y441 HydrophobicContact CB-CE2 4.15Å; E436-Y441 HydrophobicContact CG-CD2 3.8Å; E436-Y441 HydrophobicContact CG-CE2 3.59Å; E436-Y441 PolarHBondContact O-N 3.5Å; T439-Y441 VanDerWaalsContact C-N 3.32Å; T439-Y441 PolarHBondContact O-N 3.34Å; T439-Y441 VanDerWaalsContact O-N 3.08Å
442	N	95.2	Very high	95.4	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.08	16%	0.162	C	C	.	.	S	Bend	trans	-90.1	-1.5	-172.6	-143.6	-1.4	0	0	0	113.9	K415 H418 R437 A438 T439	K415-N442 HydrophobicContact CD-CB 4.13Å; K415-N442 WeakPolarHBondContact CD-O 3.26Å; K415-N442 PolarHBondContact NZ-O 2.86Å; K415-N442 PolarHBondContact O-ND2 3.38Å; H418-N442 PolarHBondContact O-ND2 2.82Å; R437-N442 WeakPolarHBondContact O-CB 3.4Å; A438-N442 VanDerWaalsContact O-CB 3.26Å; A438-N442 WeakPolarHBondContact O-CB 3.47Å; A438-N442 PolarHBondContact O-ND2 3.15Å; T439-N442 PolarHBondContact O-N 3.39Å
443	Y	94.8	Very high	95.4	Very high	9 Å²	9	34 Å²	34	4%	0.035	16%	0.163	C	C	.	.			trans	-120.8	126	178.5	-59.6	-85.7	0	0	0	111	V411 K415 T439 E447 K448 L451 M644	V411-Y443 HydrophobicContact CG1-CE1 4.34Å; K415-Y443 HydrophobicContact CD-CE1 4.38Å; K415-Y443 HydrophobicContact CG-CE1 3.92Å; T439-Y443 WeakPolarHBondContact O-CD2 3.31Å; Y443-E447 HydrophobicContact CD1-CB 4.3Å; Y443-K448 VanDerWaalsContact O-CE 3.3Å; Y443-K448 WeakPolarHBondContact O-CE 3.49Å; Y443-L451 HydrophobicContact CD1-CD1 3.85Å; Y443-L451 HydrophobicContact CE1-CD1 3.72Å; Y443-M644 HydrophobicContact CD2-CE 4.2Å; Y443-M644 HydrophobicContact CD2-SD 4.45Å; Y443-M644 HydrophobicContact CE2-CE 3.59Å; Y443-M644 HydrophobicContact CE2-SD 3.77Å
444	T	94	Very high	95.5	Very high	82 Å²	82	33 Å²	33	50%	0.503	16%	0.158	S	C	.	.			trans	-69.8	165.7	167.6	62.1	0	0	0	0	111.1	E446 E447 K448	T444-E446 VanDerWaalsContact C-N 3.3Å; T444-E446 PolarHBondContact O-N 3.47Å; T444-E447 WeakPolarHBondContact CB-OE2 3.16Å; T444-E447 WeakPolarHBondContact CG2-OE2 3.26Å; T444-E447 PolarHBondContact N-OE2 3.22Å; T444-E447 PolarHBondContact O-N 2.71Å; T444-E447 VanDerWaalsContact OG1-CG 3.3Å; T444-E447 WeakPolarHBondContact OG1-CG 3.37Å; T444-E447 PolarHBondContact OG1-N 3.42Å; T444-E447 PolarHBondContact OG1-OE2 3.39Å; T444-K448 WeakPolarHBondContact O-CG 3.44Å; T444-K448 PolarHBondContact O-N 3.01Å; T444-K448 VanDerWaalsContact O-N 3.11Å
445	S	95.4	Very high	95.5	Very high	47 Å²	47	28.5 Å²	28.5	33%	0.329	14%	0.137	S	C	.	.	H	α-helix	trans	-56.4	-44.2	176.9	-174.9	0	0	0	0	112.3	K448 F449 H651	S445-K448 PolarHBondContact O-N 2.89Å; S445-F449 VanDerWaalsContact O-CD2 3.28Å; S445-F449 WeakPolarHBondContact O-CD2 3.3Å; S445-F449 WeakPolarHBondContact O-CG 3.46Å; S445-F449 PolarHBondContact O-N 3.49Å; S445-F449 VanDerWaalsContact O-N 3.15Å; S445-F449 VanDerWaalsContact OG-CE2 3.31Å; S445-F449 WeakPolarHBondContact OG-CE2 3.3Å; S445-H651 PolarHBondContact OG-CE1 3.07Å; S445-H651 VanDerWaalsContact OG-CE1 3.26Å; S445-H651 PolarHBondContact OG-NE2 2.97Å
446	E	94.7	Very high	95.3	Very high	126 Å²	126	28.6 Å²	28.6	59%	0.589	14%	0.138	S	C	*	.	H	α-helix	trans	-67.2	-40.4	-179.3	-59.2	-55.6	146.5	0	0	112.3	T444 K448 F449 A450	T444-E446 VanDerWaalsContact C-N 3.3Å; T444-E446 PolarHBondContact O-N 3.47Å; E446-K448 VanDerWaalsContact C-N 3.32Å; E446-K448 PolarHBondContact O-N 3.29Å; E446-F449 PolarHBondContact O-N 3.41Å; E446-A450 VanDerWaalsContact O-CB 3.31Å; E446-A450 WeakPolarHBondContact O-CB 3.3Å; E446-A450 PolarHBondContact O-N 3.41Å
447	E	94.9	Very high	95.2	Very high	26 Å²	26	28 Å²	28	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-40.1	175.8	-74.4	168.6	122.9	0	0	111.4	I345 K415 Y443 T444 A450 L451	I345-E447 HydrophobicContact CG2-CB 4.31Å; I345-E447 HydrophobicContact CG2-CG 4.11Å; K415-E447 IonicContact NZ-OE1 3.64Å; K415-E447 PolarHBondContact NZ-OE1 3.18Å; K415-E447 IonicContact NZ-OE2 2.98Å; Y443-E447 HydrophobicContact CD1-CB 4.3Å; T444-E447 WeakPolarHBondContact CB-OE2 3.16Å; T444-E447 WeakPolarHBondContact CG2-OE2 3.26Å; T444-E447 PolarHBondContact N-OE2 3.22Å; T444-E447 PolarHBondContact O-N 2.71Å; T444-E447 VanDerWaalsContact OG1-CG 3.3Å; T444-E447 WeakPolarHBondContact OG1-CG 3.37Å; T444-E447 PolarHBondContact OG1-N 3.42Å; T444-E447 PolarHBondContact OG1-OE2 3.39Å; E447-A450 PolarHBondContact O-N 3.34Å; E447-L451 WeakPolarHBondContact O-CB 3.43Å; E447-L451 VanDerWaalsContact O-CG 3.25Å; E447-L451 WeakPolarHBondContact O-CG 3.26Å; E447-L451 PolarHBondContact O-N 3.33Å
448	K	96.3	Very high	95.2	Very high	31 Å²	31	25.3 Å²	25.3	14%	0.135	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-47.7	176.6	-66.9	175.8	-165.9	177.7	0	111.1	Y443 T444 S445 E446 L451 V452 I647 L648 H651	Y443-K448 VanDerWaalsContact O-CE 3.3Å; Y443-K448 WeakPolarHBondContact O-CE 3.49Å; T444-K448 WeakPolarHBondContact O-CG 3.44Å; T444-K448 PolarHBondContact O-N 3.01Å; T444-K448 VanDerWaalsContact O-N 3.11Å; S445-K448 PolarHBondContact O-N 2.89Å; E446-K448 VanDerWaalsContact C-N 3.32Å; E446-K448 PolarHBondContact O-N 3.29Å; K448-L451 PolarHBondContact O-N 3.41Å; K448-V452 WeakPolarHBondContact O-CG2 3.49Å; K448-V452 PolarHBondContact O-N 2.8Å; K448-V452 VanDerWaalsContact O-N 3.11Å; K448-I647 HydrophobicContact CD-CG2 4.23Å; K448-L648 HydrophobicContact CB-CD2 3.96Å; K448-L648 HydrophobicContact CG-CD2 4.12Å; K448-H651 HydrophobicContact CD-CB 3.99Å
449	F	96.6	Very high	95.1	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-44.9	177.4	-64.2	-40.4	0	0	0	112.3	S445 E446 L451 V452 E453 H651 I652 T655 E657 M660	S445-F449 VanDerWaalsContact O-CD2 3.28Å; S445-F449 WeakPolarHBondContact O-CD2 3.3Å; S445-F449 WeakPolarHBondContact O-CG 3.46Å; S445-F449 PolarHBondContact O-N 3.49Å; S445-F449 VanDerWaalsContact O-N 3.15Å; S445-F449 VanDerWaalsContact OG-CE2 3.31Å; S445-F449 WeakPolarHBondContact OG-CE2 3.3Å; E446-F449 PolarHBondContact O-N 3.41Å; F449-L451 VanDerWaalsContact C-N 3.33Å; F449-L451 PolarHBondContact O-N 3.48Å; F449-V452 PolarHBondContact O-N 2.69Å; F449-E453 PolarHBondContact O-N 2.69Å; F449-H651 AromaticContact CD1-CD2 3.83Å; F449-H651 AromaticContact CE1-CD2 3.34Å; F449-H651 WeakPolarHBondContact CE1-CD2 3.4Å; F449-H651 AromaticContact CE1-NE2 3.6Å; F449-H651 AromaticContact CE2-NE2 3.81Å; F449-H651 AromaticContact CZ-CD2 3.65Å; F449-H651 AromaticContact CZ-NE2 3.38Å; F449-H651 WeakPolarHBondContact CZ-NE2 3.37Å; F449-I652 HydrophobicContact CD1-CG1 4.33Å; F449-I652 HydrophobicContact CE1-CG1 4.14Å; F449-T655 HydrophobicContact CZ-CG2 4.21Å; F449-T655 WeakPolarHBondContact CZ-OG1 3.37Å; F449-E657 HydrophobicContact CE1-CB 3.98Å; F449-E657 HydrophobicContact CE1-CG 4.24Å; F449-E657 HydrophobicContact CE2-CB 4.45Å; F449-E657 HydrophobicContact CE2-CG 4.23Å; F449-E657 HydrophobicContact CZ-CB 3.7Å; F449-E657 HydrophobicContact CZ-CG 3.91Å; F449-M660 HydrophobicContact CB-CG 4.21Å; F449-M660 HydrophobicContact CB-SD 4.12Å; F449-M660 HydrophobicContact CD1-CB 4.21Å; F449-M660 HydrophobicContact CD1-CG 3.55Å; F449-M660 HydrophobicContact CD1-SD 4.38Å; F449-M660 HydrophobicContact CE1-CB 4.34Å; F449-M660 HydrophobicContact CE1-CG 4.01Å; F449-M660 HydrophobicContact CG-CG 3.95Å; F449-M660 HydrophobicContact CG-SD 4.5Å
450	A	95.8	Very high	94.8	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-43.9	176.8	0	0	0	0	0	112	I345 M349 E446 E447 V452 E453 V454	I345-A450 HydrophobicContact CG1-CB 4.06Å; I345-A450 HydrophobicContact CG2-CB 3.88Å; M349-A450 HydrophobicContact CG-CB 3.75Å; M349-A450 HydrophobicContact SD-CB 3.82Å; E446-A450 VanDerWaalsContact O-CB 3.31Å; E446-A450 WeakPolarHBondContact O-CB 3.3Å; E446-A450 PolarHBondContact O-N 3.41Å; E447-A450 PolarHBondContact O-N 3.34Å; A450-V452 PolarHBondContact O-N 3.41Å; A450-E453 PolarHBondContact O-N 2.93Å; A450-V454 WeakPolarHBondContact O-CG2 3.42Å; A450-V454 PolarHBondContact O-N 3.42Å
451	L	96.1	Very high	94.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-45.8	175.6	-73.7	171.2	0	0	0	111.8	V408 Y443 E447 K448 F449 E453 V454 M455 L648	V408-L451 HydrophobicContact CG1-CD2 4.16Å; V408-L451 HydrophobicContact CG2-CD2 4.48Å; Y443-L451 HydrophobicContact CD1-CD1 3.85Å; Y443-L451 HydrophobicContact CE1-CD1 3.72Å; E447-L451 WeakPolarHBondContact O-CB 3.43Å; E447-L451 VanDerWaalsContact O-CG 3.25Å; E447-L451 WeakPolarHBondContact O-CG 3.26Å; E447-L451 PolarHBondContact O-N 3.33Å; K448-L451 PolarHBondContact O-N 3.41Å; F449-L451 VanDerWaalsContact C-N 3.33Å; F449-L451 PolarHBondContact O-N 3.48Å; L451-E453 VanDerWaalsContact C-N 3.34Å; L451-E453 PolarHBondContact O-N 3.42Å; L451-V454 PolarHBondContact O-N 3.26Å; L451-M455 HydrophobicContact CB-CE 4.41Å; L451-M455 WeakPolarHBondContact O-CG 3.46Å; L451-M455 PolarHBondContact O-N 2.77Å; L451-L648 HydrophobicContact CB-CD2 4.35Å; L451-L648 HydrophobicContact CD1-CD2 4.36Å
452	V	96.6	Very high	94.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-42	178.2	174.4	0	0	0	0	111.6	K448 F449 A450 V454 M455 A456 L648 I652 P667	K448-V452 WeakPolarHBondContact O-CG2 3.49Å; K448-V452 PolarHBondContact O-N 2.8Å; K448-V452 VanDerWaalsContact O-N 3.11Å; F449-V452 PolarHBondContact O-N 2.69Å; A450-V452 PolarHBondContact O-N 3.41Å; V452-V454 PolarHBondContact O-N 3.42Å; V452-M455 PolarHBondContact O-N 3.38Å; V452-A456 WeakPolarHBondContact O-CB 3.39Å; V452-A456 PolarHBondContact O-N 3.03Å; V452-L648 HydrophobicContact CG2-CB 3.86Å; V452-L648 HydrophobicContact CG2-CD2 4.28Å; V452-L648 HydrophobicContact CG2-CG 4.44Å; V452-I652 HydrophobicContact CB-CD1 4.4Å; V452-I652 HydrophobicContact CG1-CD1 3.86Å; V452-I652 HydrophobicContact CG2-CD1 4.17Å; V452-P667 HydrophobicContact CB-CG 4.11Å; V452-P667 HydrophobicContact CG1-CG 3.54Å; V452-P667 HydrophobicContact CG2-CG 3.56Å
453	E	95	Very high	94.1	Very high	21 Å²	21	20.8 Å²	20.8	10%	0.098	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-46.2	176	-76.4	-173.1	-138.9	0	0	112.2	M349 R353 F449 A450 L451 A456 M457 M660	M349-E453 HydrophobicContact CE-CB 3.55Å; M349-E453 HydrophobicContact CE-CG 4.35Å; M349-E453 VanDerWaalsContact CE-OE2 3.25Å; M349-E453 WeakPolarHBondContact CE-OE2 3.45Å; R353-E453 IonicContact CZ-OE1 3.89Å; R353-E453 IonicContact CZ-OE2 3.24Å; R353-E453 IonicContact NE-OE2 4Å; R353-E453 PolarHBondContact NE-OE2 2.87Å; R353-E453 IonicContact NH2-OE1 3.71Å; R353-E453 PolarHBondContact NH2-OE1 3.07Å; R353-E453 IonicContact NH2-OE2 3.65Å; R353-E453 PolarHBondContact NH2-OE2 3.33Å; F449-E453 PolarHBondContact O-N 2.69Å; A450-E453 PolarHBondContact O-N 2.93Å; L451-E453 VanDerWaalsContact C-N 3.34Å; L451-E453 PolarHBondContact O-N 3.42Å; E453-A456 PolarHBondContact O-N 3.45Å; E453-M457 HydrophobicContact CB-CE 4.32Å; E453-M457 WeakPolarHBondContact O-CE 3.43Å; E453-M457 WeakPolarHBondContact O-CG 3.4Å; E453-M457 PolarHBondContact O-N 2.85Å; E453-M660 HydrophobicContact CG-CE 3.7Å; E453-M660 HydrophobicContact CG-SD 3.79Å; E453-M660 WeakPolarHBondContact OE1-CE 3.31Å
454	V	96.1	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-42.5	178.1	-177.7	0	0	0	0	111.1	I345 M349 I352 W404 V408 A450 L451 V452 A456 M457 I458	I345-V454 HydrophobicContact CD1-CG2 4.24Å; M349-V454 HydrophobicContact CE-CG2 3.89Å; M349-V454 HydrophobicContact SD-CG2 3.42Å; M349-V454 WeakPolarHBondContact SD-CG2 3.11Å; I352-V454 HydrophobicContact CD1-CG2 3.89Å; I352-V454 HydrophobicContact CG2-CG2 4.33Å; W404-V454 HydrophobicContact CB-CG1 3.87Å; W404-V454 HydrophobicContact CG-CG1 4.49Å; V408-V454 HydrophobicContact CG2-CB 4.04Å; V408-V454 HydrophobicContact CG2-CG1 3.63Å; A450-V454 WeakPolarHBondContact O-CG2 3.42Å; A450-V454 PolarHBondContact O-N 3.42Å; L451-V454 PolarHBondContact O-N 3.26Å; V452-V454 PolarHBondContact O-N 3.42Å; V454-A456 VanDerWaalsContact C-N 3.3Å; V454-A456 PolarHBondContact O-N 3.34Å; V454-M457 HydrophobicContact CG2-CE 4.17Å; V454-M457 PolarHBondContact O-N 3.09Å; V454-I458 HydrophobicContact CG1-CD1 3.92Å; V454-I458 HydrophobicContact CG1-CG1 4.38Å; V454-I458 VanDerWaalsContact O-CG1 3.25Å; V454-I458 WeakPolarHBondContact O-CG1 3.45Å; V454-I458 PolarHBondContact O-N 3.27Å
455	M	94.6	Very high	93.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-42.2	176.2	-69.3	170.5	179.4	0	0	112	V408 L451 V452 I458 K459 L618 L621 L648 L670	V408-M455 HydrophobicContact CG1-CE 3.57Å; L451-M455 HydrophobicContact CB-CE 4.41Å; L451-M455 WeakPolarHBondContact O-CG 3.46Å; L451-M455 PolarHBondContact O-N 2.77Å; V452-M455 PolarHBondContact O-N 3.38Å; M455-I458 PolarHBondContact O-N 3.49Å; M455-K459 WeakPolarHBondContact O-CB 3.45Å; M455-K459 WeakPolarHBondContact O-CG 3.36Å; M455-K459 PolarHBondContact O-N 3.13Å; M455-L618 HydrophobicContact CB-CD1 4.39Å; M455-L618 HydrophobicContact CG-CD1 3.98Å; M455-L621 HydrophobicContact CE-CD1 3.45Å; M455-L621 VanDerWaalsContact CE-CD1 3.45Å; M455-L648 HydrophobicContact CE-CD1 3.6Å; M455-L648 HydrophobicContact SD-CD1 3.77Å; M455-L670 HydrophobicContact CE-CD1 4.15Å; M455-L670 HydrophobicContact SD-CD1 3.84Å; M455-L670 HydrophobicContact SD-CD2 4.47Å
456	A	93.3	Very high	93.1	Very high	5 Å²	5	17.8 Å²	17.8	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-38.6	176.8	0	0	0	0	0	113.2	V452 E453 V454 I458 K459 G460 Y663 Y666	V452-A456 WeakPolarHBondContact O-CB 3.39Å; V452-A456 PolarHBondContact O-N 3.03Å; E453-A456 PolarHBondContact O-N 3.45Å; V454-A456 VanDerWaalsContact C-N 3.3Å; V454-A456 PolarHBondContact O-N 3.34Å; A456-I458 VanDerWaalsContact C-N 3.35Å; A456-K459 PolarHBondContact O-N 3Å; A456-G460 WeakPolarHBondContact O-CA 3.44Å; A456-G460 PolarHBondContact O-N 3.04Å; A456-Y663 HydrophobicContact CB-CD1 3.28Å; A456-Y663 HydrophobicContact CB-CE1 3.79Å; A456-Y663 HydrophobicContact CB-CG 4.37Å; A456-Y666 HydrophobicContact CB-CD1 4.28Å; A456-Y666 HydrophobicContact CB-CD2 3.3Å; A456-Y666 HydrophobicContact CB-CE2 3.66Å; A456-Y666 HydrophobicContact CB-CG 3.65Å
457	M	94.8	Very high	92.5	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.059	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-40.2	173.7	-74	-173.6	-76.4	0	0	111.6	M349 I352 R353 H356 W404 E453 V454 L461	M349-M457 HydrophobicContact CE-CE 3.87Å; I352-M457 HydrophobicContact CB-CE 4.46Å; I352-M457 HydrophobicContact CG2-CE 3.36Å; I352-M457 HydrophobicContact CG2-SD 3.98Å; R353-M457 HydrophobicContact CG-CE 4.35Å; R353-M457 HydrophobicContact CG-SD 4.39Å; H356-M457 HydrophobicContact CB-SD 3.75Å; W404-M457 HydrophobicContact CE3-CB 4.26Å; W404-M457 HydrophobicContact CZ3-CB 4.04Å; E453-M457 HydrophobicContact CB-CE 4.32Å; E453-M457 WeakPolarHBondContact O-CE 3.43Å; E453-M457 WeakPolarHBondContact O-CG 3.4Å; E453-M457 PolarHBondContact O-N 2.85Å; V454-M457 HydrophobicContact CG2-CE 4.17Å; V454-M457 PolarHBondContact O-N 3.09Å; M457-L461 VanDerWaalsContact O-CB 3.22Å; M457-L461 WeakPolarHBondContact O-CB 3.24Å; M457-L461 PolarHBondContact O-N 2.94Å
458	I	95.5	Very high	92	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-57.8	173.7	-68.3	161.2	0	0	0	110	L401 W404 V408 V454 M455 A456 G460 L461 Q462 C616 L618	L401-I458 HydrophobicContact CD2-CB 4.41Å; L401-I458 HydrophobicContact CD2-CG2 4.14Å; L401-I458 VanDerWaalsContact CD2-O 3.3Å; L401-I458 WeakPolarHBondContact CD2-O 3.42Å; W404-I458 HydrophobicContact CB-CD1 3.83Å; W404-I458 HydrophobicContact CB-CG1 3.56Å; W404-I458 HydrophobicContact CE3-CG1 4.04Å; V408-I458 HydrophobicContact CG2-CD1 4.23Å; V454-I458 HydrophobicContact CG1-CD1 3.92Å; V454-I458 HydrophobicContact CG1-CG1 4.38Å; V454-I458 VanDerWaalsContact O-CG1 3.25Å; V454-I458 WeakPolarHBondContact O-CG1 3.45Å; V454-I458 PolarHBondContact O-N 3.27Å; M455-I458 PolarHBondContact O-N 3.49Å; A456-I458 VanDerWaalsContact C-N 3.35Å; I458-G460 PolarHBondContact O-N 3.31Å; I458-L461 PolarHBondContact O-N 2.73Å; I458-Q462 WeakPolarHBondContact O-CB 3.47Å; I458-Q462 PolarHBondContact O-N 3.45Å; I458-C616 HydrophobicContact CG2-CB 3.83Å; I458-L618 HydrophobicContact CD1-CD1 4.26Å; I458-L618 HydrophobicContact CD1-CD2 4.47Å
459	K	91.3	Very high	91.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.8	-39.2	-174.9	-77.9	-177.4	-177.1	-67.3	0	112.5	P31 M455 A456 Q462 V463 Y666 D669 D673	P31-K459 HydrophobicContact CB-CB 4.06Å; P31-K459 HydrophobicContact CB-CD 4.1Å; P31-K459 HydrophobicContact CB-CG 4.26Å; P31-K459 HydrophobicContact CG-CD 4.23Å; M455-K459 WeakPolarHBondContact O-CB 3.45Å; M455-K459 WeakPolarHBondContact O-CG 3.36Å; M455-K459 PolarHBondContact O-N 3.13Å; A456-K459 PolarHBondContact O-N 3Å; K459-Q462 WeakPolarHBondContact O-CB 3.41Å; K459-Q462 PolarHBondContact O-N 3.16Å; K459-V463 WeakPolarHBondContact O-CG2 3.49Å; K459-V463 PolarHBondContact O-N 3.45Å; K459-V463 VanDerWaalsContact O-N 3.13Å; K459-Y666 HydrophobicContact CB-CD1 3.7Å; K459-Y666 HydrophobicContact CB-CE1 4.1Å; K459-Y666 HydrophobicContact CD-CD1 4.17Å; K459-D669 HydrophobicContact CD-CB 4.27Å; K459-D669 WeakPolarHBondContact CD-OD2 3.43Å; K459-D669 WeakPolarHBondContact CE-OD2 3.43Å; K459-D669 IonicContact NZ-OD2 2.91Å; K459-D669 PolarHBondContact NZ-OD2 3.33Å; K459-D673 VanDerWaalsContact NZ-CG 3.28Å; K459-D673 IonicContact NZ-OD1 3.51Å; K459-D673 PolarHBondContact NZ-OD1 2.92Å; K459-D673 VanDerWaalsContact NZ-OD1 3.13Å; K459-D673 IonicContact NZ-OD2 3.53Å; K459-D673 PolarHBondContact NZ-OD2 2.89Å
460	G	89.7	Confident	91	Very high	18 Å²	18	23.6 Å²	23.6	19%	0.186	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-44.9	174.9	0	0	0	0	0	112.5	A456 I458 V463 L464	A456-G460 WeakPolarHBondContact O-CA 3.44Å; A456-G460 PolarHBondContact O-N 3.04Å; I458-G460 PolarHBondContact O-N 3.31Å; G460-V463 PolarHBondContact O-N 2.94Å; G460-L464 PolarHBondContact O-N 3.15Å
461	L	92.4	Very high	90.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.1	-36.3	175.9	179.9	57.9	0	0	0	112	F359 I360 L363 L400 L401 W404 M457 I458 V463 L464 M465	F359-L461 HydrophobicContact CD1-CD1 4.02Å; F359-L461 HydrophobicContact CD1-CD2 4.01Å; F359-L461 HydrophobicContact CE1-CD1 3.93Å; F359-L461 HydrophobicContact CE1-CD2 4.2Å; I360-L461 HydrophobicContact CD1-CD1 4.24Å; I360-L461 HydrophobicContact CG1-CD1 3.92Å; L363-L461 HydrophobicContact CD2-CD1 4.04Å; L400-L461 HydrophobicContact CD2-CD2 4.17Å; L401-L461 HydrophobicContact CD1-CD2 4.48Å; L401-L461 HydrophobicContact CD1-CG 4.31Å; L401-L461 HydrophobicContact CD2-CB 3.84Å; L401-L461 HydrophobicContact CD2-CD2 3.87Å; L401-L461 HydrophobicContact CD2-CG 3.91Å; L401-L461 HydrophobicContact CG-CD2 3.89Å; L401-L461 HydrophobicContact CG-CG 4.14Å; W404-L461 HydrophobicContact CH2-CD2 3.92Å; W404-L461 HydrophobicContact CZ3-CB 4.25Å; W404-L461 HydrophobicContact CZ3-CD2 3.64Å; M457-L461 VanDerWaalsContact O-CB 3.22Å; M457-L461 WeakPolarHBondContact O-CB 3.24Å; M457-L461 PolarHBondContact O-N 2.94Å; I458-L461 PolarHBondContact O-N 2.73Å; L461-V463 VanDerWaalsContact C-N 3.27Å; L461-V463 PolarHBondContact O-N 2.87Å; L461-L464 HydrophobicContact CD1-CB 4.48Å; L461-L464 PolarHBondContact O-N 3.37Å; L461-L464 VanDerWaalsContact O-N 3.14Å; L461-M465 HydrophobicContact CD1-CG 3.96Å; L461-M465 HydrophobicContact CD1-SD 4.37Å; L461-M465 HydrophobicContact CG-CG 4.08Å; L461-M465 WeakPolarHBondContact O-CB 3.44Å; L461-M465 VanDerWaalsContact O-CG 3.26Å; L461-M465 WeakPolarHBondContact O-CG 3.43Å; L461-M465 PolarHBondContact O-N 3.28Å
462	Q	92.2	Very high	90.3	Very high	26 Å²	26	24.9 Å²	24.9	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-56.2	-42	173.8	-173	-175.3	14.1	0	0	111.6	I458 K459 M465 G466 L612 C616	I458-Q462 WeakPolarHBondContact O-CB 3.47Å; I458-Q462 PolarHBondContact O-N 3.45Å; K459-Q462 WeakPolarHBondContact O-CB 3.41Å; K459-Q462 PolarHBondContact O-N 3.16Å; Q462-M465 PolarHBondContact O-N 3.28Å; Q462-G466 PolarHBondContact O-N 2.86Å; Q462-L612 HydrophobicContact CG-CD1 4.34Å; Q462-L612 HydrophobicContact CG-CD2 4.39Å; Q462-L612 HydrophobicContact CG-CG 4.17Å; Q462-C616 HydrophobicContact CG-CB 4.28Å
463	V	87	Confident	89.9	Confident	6 Å²	6	26 Å²	26	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-48.2	174.6	171.9	0	0	0	0	111.4	P31 L32 K459 G460 L461 G466 R467	P31-V463 VanDerWaalsContact C-CG2 3.5Å; L32-V463 HydrophobicContact CB-CG2 3.93Å; L32-V463 HydrophobicContact CD1-CG1 4.46Å; L32-V463 HydrophobicContact CD1-CG2 4.45Å; K459-V463 WeakPolarHBondContact O-CG2 3.49Å; K459-V463 PolarHBondContact O-N 3.45Å; K459-V463 VanDerWaalsContact O-N 3.13Å; G460-V463 PolarHBondContact O-N 2.94Å; L461-V463 VanDerWaalsContact C-N 3.27Å; L461-V463 PolarHBondContact O-N 2.87Å; V463-G466 PolarHBondContact O-N 3.45Å; V463-R467 WeakPolarHBondContact O-CG 3.22Å; V463-R467 PolarHBondContact O-N 3.45Å
464	L	86.4	Confident	89.6	Confident	61 Å²	61	28.9 Å²	28.9	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-64	-43.3	-179.4	-64.3	177.3	0	0	0	111.8	I360 L363 G460 L461 R467 M468	I360-L464 HydrophobicContact CD1-CD1 4.01Å; I360-L464 HydrophobicContact CG1-CD1 4.28Å; I360-L464 HydrophobicContact CG2-CD1 3.95Å; L363-L464 HydrophobicContact CD2-CB 4.1Å; G460-L464 PolarHBondContact O-N 3.15Å; L461-L464 HydrophobicContact CD1-CB 4.48Å; L461-L464 PolarHBondContact O-N 3.37Å; L461-L464 VanDerWaalsContact O-N 3.14Å; L464-R467 PolarHBondContact O-N 2.87Å; L464-M468 PolarHBondContact O-N 3.44Å
465	M	88.7	Confident	89.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-40.8	177.1	-66.4	-64.1	-73	0	0	111.4	F359 L363 L401 L461 Q462 M468 E469 F472 F608 L612	F359-M465 HydrophobicContact CE1-SD 4.03Å; F359-M465 HydrophobicContact CZ-SD 4.26Å; L363-M465 HydrophobicContact CD1-SD 4.44Å; L363-M465 HydrophobicContact CD2-SD 3.77Å; L401-M465 HydrophobicContact CD1-CG 4.24Å; L461-M465 HydrophobicContact CD1-CG 3.96Å; L461-M465 HydrophobicContact CD1-SD 4.37Å; L461-M465 HydrophobicContact CG-CG 4.08Å; L461-M465 WeakPolarHBondContact O-CB 3.44Å; L461-M465 VanDerWaalsContact O-CG 3.26Å; L461-M465 WeakPolarHBondContact O-CG 3.43Å; L461-M465 PolarHBondContact O-N 3.28Å; Q462-M465 PolarHBondContact O-N 3.28Å; M465-M468 CarbonylContact O-C 3.55Å; M465-M468 PolarHBondContact O-N 3.26Å; M465-E469 PolarHBondContact O-N 3.08Å; M465-F472 HydrophobicContact CE-CE2 3.73Å; M465-F472 HydrophobicContact CE-CZ 4.05Å; M465-F472 HydrophobicContact SD-CE2 3.86Å; M465-F472 HydrophobicContact SD-CZ 4.1Å; M465-F608 HydrophobicContact CB-CZ 4.22Å; M465-F608 HydrophobicContact CE-CE2 4.01Å; M465-F608 HydrophobicContact CE-CZ 3.8Å; M465-L612 HydrophobicContact CB-CD1 3.9Å; M465-L612 HydrophobicContact CB-CD2 4.04Å; M465-L612 HydrophobicContact CG-CD1 4.47Å
466	G	86.5	Confident	89.5	Confident	14 Å²	14	28.8 Å²	28.8	14%	0.144	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-40.2	175.2	0	0	0	0	0	112.9	Q462 V463 M468 E469	Q462-G466 PolarHBondContact O-N 2.86Å; V463-G466 PolarHBondContact O-N 3.45Å; G466-M468 PolarHBondContact O-N 3.44Å; G466-E469 WeakPolarHBondContact O-CB 3.18Å; G466-E469 PolarHBondContact O-N 2.84Å
467	R	83.7	Confident	89.5	Confident	164 Å²	164	31.6 Å²	31.6	62%	0.619	16%	0.163	S	C	*	.	H	α-helix	trans	-62.4	-32.3	174.3	-73.3	178.5	-172.4	-178.9	5.1	112.9	C28 V463 L464 E469	C28-R467 PolarHBondContact SG-NH2 3.41Å; V463-R467 WeakPolarHBondContact O-CG 3.22Å; V463-R467 PolarHBondContact O-N 3.45Å; L464-R467 PolarHBondContact O-N 2.87Å; R467-E469 VanDerWaalsContact C-N 3.32Å
468	M	83.6	Confident	89.5	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.039	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.7	176.6	-67.2	-142.6	73.1	0	0	113.7	L363 E370 L464 M465 G466 S470 V471 F472	L363-M468 HydrophobicContact CD1-SD 3.59Å; L363-M468 VanDerWaalsContact CD1-SD 3.59Å; L363-M468 HydrophobicContact CG-SD 4.24Å; E370-M468 HydrophobicContact CG-CE 4.31Å; L464-M468 PolarHBondContact O-N 3.44Å; M465-M468 CarbonylContact O-C 3.55Å; M465-M468 PolarHBondContact O-N 3.26Å; G466-M468 PolarHBondContact O-N 3.44Å; M468-S470 VanDerWaalsContact C-N 3.33Å; M468-S470 PolarHBondContact O-N 3.36Å; M468-V471 HydrophobicContact CE-CB 4.19Å; M468-V471 HydrophobicContact CE-CG1 4.17Å; M468-V471 HydrophobicContact CE-CG2 4.37Å; M468-V471 PolarHBondContact O-N 3.16Å; M468-V471 VanDerWaalsContact O-N 3.07Å; M468-F472 HydrophobicContact CB-CD2 3.7Å; M468-F472 HydrophobicContact CB-CE2 3.42Å; M468-F472 VanDerWaalsContact CB-CE2 3.42Å; M468-F472 HydrophobicContact CB-CG 4.45Å; M468-F472 HydrophobicContact CB-CZ 3.97Å; M468-F472 HydrophobicContact CG-CE2 4.45Å; M468-F472 WeakPolarHBondContact O-CD2 3.49Å; M468-F472 PolarHBondContact O-N 3.43Å; M468-F472 HydrophobicContact SD-CZ 4.35Å
469	E	86.6	Confident	89.6	Confident	51 Å²	51	32.1 Å²	32.1	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-51.9	-48.7	-172.9	175.1	173.7	172.2	0	0	112.1	M465 G466 R467 V471 F472 N473 F608 S609	M465-E469 PolarHBondContact O-N 3.08Å; G466-E469 WeakPolarHBondContact O-CB 3.18Å; G466-E469 PolarHBondContact O-N 2.84Å; R467-E469 VanDerWaalsContact C-N 3.32Å; E469-V471 VanDerWaalsContact C-N 3.34Å; E469-V471 PolarHBondContact O-N 3.08Å; E469-F472 PolarHBondContact O-N 3.25Å; E469-N473 VanDerWaalsContact CG-ND2 3.33Å; E469-N473 WeakPolarHBondContact CG-ND2 3.24Å; E469-N473 WeakPolarHBondContact O-CB 3.37Å; E469-N473 PolarHBondContact O-N 3.24Å; E469-N473 PolarHBondContact OE1-ND2 3.12Å; E469-F608 HydrophobicContact CB-CD1 4.39Å; E469-F608 HydrophobicContact CB-CE1 4.37Å; E469-F608 HydrophobicContact CG-CD1 4.06Å; E469-S609 WeakPolarHBondContact OE1-CB 3.12Å
470	S	84.7	Confident	89.8	Confident	98 Å²	98	32.1 Å²	32.1	69%	0.685	17%	0.166	S	C	*	.	H	α-helix	trans	-57.9	-44.6	-179.1	-176.8	0	0	0	0	112.6	M468 N473 H474	M468-S470 VanDerWaalsContact C-N 3.33Å; M468-S470 PolarHBondContact O-N 3.36Å; S470-N473 PolarHBondContact O-N 2.64Å; S470-H474 PolarHBondContact O-N 3.44Å; S470-H474 VanDerWaalsContact O-N 3.15Å
471	V	86.8	Confident	90.2	Very high	37 Å²	37	31.9 Å²	31.9	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-45.4	179.4	-179.9	0	0	0	0	110.6	E370 L390 M468 E469 H474 A475	E370-V471 HydrophobicContact CG-CG1 4.21Å; E370-V471 HydrophobicContact CG-CG2 4.37Å; L390-V471 HydrophobicContact CD1-CG1 3.92Å; L390-V471 HydrophobicContact CD2-CG1 4.44Å; M468-V471 HydrophobicContact CE-CB 4.19Å; M468-V471 HydrophobicContact CE-CG1 4.17Å; M468-V471 HydrophobicContact CE-CG2 4.37Å; M468-V471 PolarHBondContact O-N 3.16Å; M468-V471 VanDerWaalsContact O-N 3.07Å; E469-V471 VanDerWaalsContact C-N 3.34Å; E469-V471 PolarHBondContact O-N 3.08Å; V471-H474 PolarHBondContact O-N 2.82Å; V471-A475 WeakPolarHBondContact O-CB 3.3Å; V471-A475 PolarHBondContact O-N 2.71Å
472	F	90.9	Very high	90.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-47	176.1	-71.8	-40.9	0	0	0	111.5	L363 L393 A394 M465 M468 E469 H474 A475 I476 F608	L363-F472 HydrophobicContact CD1-CE1 4.5Å; L363-F472 HydrophobicContact CD1-CZ 3.68Å; L393-F472 HydrophobicContact CB-CE1 4.25Å; A394-F472 HydrophobicContact CB-CB 4.31Å; A394-F472 HydrophobicContact CB-CD1 3.71Å; A394-F472 HydrophobicContact CB-CD2 4.41Å; A394-F472 HydrophobicContact CB-CE1 4.03Å; A394-F472 HydrophobicContact CB-CG 3.92Å; A394-F472 HydrophobicContact CB-CZ 4.48Å; M465-F472 HydrophobicContact CE-CE2 3.73Å; M465-F472 HydrophobicContact CE-CZ 4.05Å; M465-F472 HydrophobicContact SD-CE2 3.86Å; M465-F472 HydrophobicContact SD-CZ 4.1Å; M468-F472 HydrophobicContact CB-CD2 3.7Å; M468-F472 HydrophobicContact CB-CE2 3.42Å; M468-F472 VanDerWaalsContact CB-CE2 3.42Å; M468-F472 HydrophobicContact CB-CG 4.45Å; M468-F472 HydrophobicContact CB-CZ 3.97Å; M468-F472 HydrophobicContact CG-CE2 4.45Å; M468-F472 WeakPolarHBondContact O-CD2 3.49Å; M468-F472 PolarHBondContact O-N 3.43Å; M468-F472 HydrophobicContact SD-CZ 4.35Å; E469-F472 PolarHBondContact O-N 3.25Å; F472-H474 VanDerWaalsContact C-N 3.3Å; F472-H474 PolarHBondContact O-N 2.72Å; F472-A475 PolarHBondContact O-N 2.9Å; F472-I476 HydrophobicContact CB-CD1 4.06Å; F472-I476 VanDerWaalsContact O-CB 3.22Å; F472-I476 WeakPolarHBondContact O-CB 3.29Å; F472-I476 WeakPolarHBondContact O-CD1 3.45Å; F472-I476 WeakPolarHBondContact O-CG1 3.46Å; F472-I476 PolarHBondContact O-N 3.24Å; F472-F608 HydrophobicContact CD2-CE1 4.03Å; F472-F608 HydrophobicContact CD2-CE2 4.09Å; F472-F608 AromaticContact CD2-CZ 3.6Å; F472-F608 HydrophobicContact CD2-CZ 3.6Å; F472-F608 HydrophobicContact CE2-CZ 4.04Å; F472-F608 HydrophobicContact CG-CZ 4.47Å
473	N	89	Confident	90.5	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-55.7	-42.6	179.7	-97.7	-23	0	0	0	112.5	E469 S470 R477	E469-N473 VanDerWaalsContact CG-ND2 3.33Å; E469-N473 WeakPolarHBondContact CG-ND2 3.24Å; E469-N473 WeakPolarHBondContact O-CB 3.37Å; E469-N473 PolarHBondContact O-N 3.24Å; E469-N473 PolarHBondContact OE1-ND2 3.12Å; S470-N473 PolarHBondContact O-N 2.64Å; N473-R477 VanDerWaalsContact C-NH1 3.28Å; N473-R477 WeakPolarHBondContact O-CB 3.24Å; N473-R477 VanDerWaalsContact O-CG 3.22Å; N473-R477 WeakPolarHBondContact O-CG 3.27Å; N473-R477 PolarHBondContact O-N 2.57Å; N473-R477 PolarHBondContact O-NH1 3Å
474	H	89.2	Confident	91	Very high	82 Å²	82	32.2 Å²	32.2	38%	0.38	17%	0.165	S	C	.	.	H	α-helix	trans	-69.4	-49.2	175.6	-176.4	83	0	0	0	112.1	Y387 S470 V471 F472 I476 R477 H478 A551	Y387-H474 AromaticContact CE1-CD2 3.5Å; Y387-H474 VanDerWaalsContact CE1-CD2 3.5Å; Y387-H474 WeakPolarHBondContact CE1-CD2 3.47Å; Y387-H474 AromaticContact CE1-NE2 3.86Å; Y387-H474 AromaticContact CZ-CD2 3.83Å; Y387-H474 AromaticContact CZ-NE2 3.66Å; Y387-H474 PolarHBondContact OH-NE2 3.32Å; S470-H474 PolarHBondContact O-N 3.44Å; S470-H474 VanDerWaalsContact O-N 3.15Å; V471-H474 PolarHBondContact O-N 2.82Å; F472-H474 VanDerWaalsContact C-N 3.3Å; F472-H474 PolarHBondContact O-N 2.72Å; H474-I476 PolarHBondContact O-N 3.15Å; H474-R477 PolarHBondContact O-N 3.36Å; H474-H478 WeakPolarHBondContact O-CB 3.29Å; H474-H478 PolarHBondContact O-N 2.82Å; H474-A551 WeakPolarHBondContact CE1-CB 2.99Å
475	A	92.3	Very high	91.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-42.8	-179	0	0	0	0	0	112.5	Y387 L390 V471 F472 H478 T479	Y387-A475 HydrophobicContact CD1-CB 3.76Å; L390-A475 HydrophobicContact CB-CB 3.62Å; L390-A475 HydrophobicContact CD1-CB 3.97Å; L390-A475 HydrophobicContact CG-CB 4.47Å; V471-A475 WeakPolarHBondContact O-CB 3.3Å; V471-A475 PolarHBondContact O-N 2.71Å; F472-A475 PolarHBondContact O-N 2.9Å; A475-H478 PolarHBondContact O-N 3.48Å; A475-T479 WeakPolarHBondContact O-CB 3.09Å; A475-T479 PolarHBondContact O-N 3.17Å; A475-T479 PolarHBondContact O-OG1 3.14Å; A475-T479 VanDerWaalsContact O-OG1 3.12Å
476	I	94.6	Very high	91.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-50.6	178.8	-72	163.9	0	0	0	110.5	F391 A394 F472 H474 H478 T479 I480 L605 L606 F608	F391-I476 HydrophobicContact CD2-CB 4.3Å; F391-I476 HydrophobicContact CD2-CG1 4.01Å; F391-I476 HydrophobicContact CD2-CG2 4.24Å; F391-I476 HydrophobicContact CE2-CG2 4.5Å; A394-I476 HydrophobicContact CB-CD1 3.87Å; A394-I476 HydrophobicContact CB-CG1 4.39Å; F472-I476 HydrophobicContact CB-CD1 4.06Å; F472-I476 VanDerWaalsContact O-CB 3.22Å; F472-I476 WeakPolarHBondContact O-CB 3.29Å; F472-I476 WeakPolarHBondContact O-CD1 3.45Å; F472-I476 WeakPolarHBondContact O-CG1 3.46Å; F472-I476 PolarHBondContact O-N 3.24Å; H474-I476 PolarHBondContact O-N 3.15Å; I476-H478 VanDerWaalsContact C-N 3.29Å; I476-H478 PolarHBondContact O-N 3.05Å; I476-T479 PolarHBondContact O-N 3.47Å; I476-I480 HydrophobicContact CG2-CD1 3.54Å; I476-I480 HydrophobicContact CG2-CG1 4.32Å; I476-I480 WeakPolarHBondContact O-CB 3.48Å; I476-I480 VanDerWaalsContact O-CG1 3.3Å; I476-I480 WeakPolarHBondContact O-CG1 3.26Å; I476-I480 PolarHBondContact O-N 3.09Å; I476-L605 HydrophobicContact CD1-CB 4.15Å; I476-L605 HydrophobicContact CD1-CD2 4.31Å; I476-L605 HydrophobicContact CG1-CB 4.45Å; I476-L605 HydrophobicContact CG2-CB 3.76Å; I476-L606 HydrophobicContact CG2-CD2 4.37Å; I476-F608 HydrophobicContact CD1-CD2 4.2Å
477	R	94.2	Very high	92.3	Very high	64 Å²	64	31.5 Å²	31.5	24%	0.242	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-42.5	179.7	-73	178.6	-170.8	101.1	6.7	111.3	N473 H474 Y481 L606	N473-R477 VanDerWaalsContact C-NH1 3.28Å; N473-R477 WeakPolarHBondContact O-CB 3.24Å; N473-R477 VanDerWaalsContact O-CG 3.22Å; N473-R477 WeakPolarHBondContact O-CG 3.27Å; N473-R477 PolarHBondContact O-N 2.57Å; N473-R477 PolarHBondContact O-NH1 3Å; H474-R477 PolarHBondContact O-N 3.36Å; R477-Y481 VanDerWaalsContact O-CB 3.28Å; R477-Y481 WeakPolarHBondContact O-CB 3.26Å; R477-Y481 PolarHBondContact O-N 3.35Å; R477-L606 HydrophobicContact CG-CD2 3.87Å
478	H	94.4	Very high	92.9	Very high	13 Å²	13	23.8 Å²	23.8	6%	0.06	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-52.8	176	-174.3	-81.8	0	0	0	112.2	D384 Y387 H474 A475 I476 I480 Y481 S482 R550	D384-H478 IonicContact OD1-CE1 2.62Å; D384-H478 PolarHBondContact OD1-CE1 2.7Å; D384-H478 VanDerWaalsContact OD1-CE1 3.26Å; Y387-H478 HydrophobicContact CD2-CB 4.3Å; Y387-H478 AromaticContact CD2-CE1 3.49Å; Y387-H478 VanDerWaalsContact CD2-CE1 3.49Å; Y387-H478 WeakPolarHBondContact CD2-CE1 3.38Å; Y387-H478 AromaticContact CD2-CG 3.63Å; Y387-H478 AromaticContact CD2-ND1 3.29Å; Y387-H478 VanDerWaalsContact CD2-ND1 3.29Å; Y387-H478 WeakPolarHBondContact CD2-ND1 3.3Å; Y387-H478 AromaticContact CD2-NE2 3.94Å; Y387-H478 AromaticContact CE2-CD2 3.93Å; Y387-H478 AromaticContact CE2-CE1 3.96Å; Y387-H478 AromaticContact CE2-CG 3.96Å; Y387-H478 AromaticContact CE2-ND1 3.99Å; Y387-H478 AromaticContact CE2-NE2 3.94Å; Y387-H478 HydrophobicContact CG-CB 4.32Å; Y387-H478 AromaticContact CG-ND1 3.83Å; H474-H478 WeakPolarHBondContact O-CB 3.29Å; H474-H478 PolarHBondContact O-N 2.82Å; A475-H478 PolarHBondContact O-N 3.48Å; I476-H478 VanDerWaalsContact C-N 3.29Å; I476-H478 PolarHBondContact O-N 3.05Å; H478-I480 PolarHBondContact O-N 3.46Å; H478-Y481 PolarHBondContact O-N 2.81Å; H478-S482 WeakPolarHBondContact O-CB 3.2Å; H478-S482 PolarHBondContact O-N 3.35Å; H478-S482 PolarHBondContact O-OG 3.47Å; H478-R550 WeakPolarHBondContact CA-O 3.35Å
479	T	96.9	Very high	93.4	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-42.7	-179.3	-64.7	0	0	0	0	112.5	Y387 R388 F391 A475 I476 S482 A483	Y387-T479 VanDerWaalsContact C-OG1 3.3Å; Y387-T479 PolarHBondContact O-OG1 3.49Å; R388-T479 HydrophobicContact CB-CG2 4.41Å; R388-T479 PolarHBondContact N-OG1 3.49Å; F391-T479 HydrophobicContact CB-CG2 4.07Å; F391-T479 HydrophobicContact CD1-CG2 4.29Å; F391-T479 HydrophobicContact CD2-CG2 4.04Å; F391-T479 HydrophobicContact CG-CG2 3.88Å; A475-T479 WeakPolarHBondContact O-CB 3.09Å; A475-T479 PolarHBondContact O-N 3.17Å; A475-T479 PolarHBondContact O-OG1 3.14Å; A475-T479 VanDerWaalsContact O-OG1 3.12Å; I476-T479 PolarHBondContact O-N 3.47Å; T479-S482 PolarHBondContact O-N 3.01Å; T479-A483 VanDerWaalsContact O-CB 3.28Å; T479-A483 WeakPolarHBondContact O-CB 3.46Å; T479-A483 PolarHBondContact O-N 3.41Å
480	I	97.1	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-43.9	178.3	-70.5	173.6	0	0	0	110.5	F391 I476 H478 L484 P554 Y602 L606	F391-I480 HydrophobicContact CD2-CG1 4.43Å; F391-I480 HydrophobicContact CE2-CD1 4.15Å; F391-I480 HydrophobicContact CE2-CG1 3.84Å; I476-I480 HydrophobicContact CG2-CD1 3.54Å; I476-I480 HydrophobicContact CG2-CG1 4.32Å; I476-I480 WeakPolarHBondContact O-CB 3.48Å; I476-I480 VanDerWaalsContact O-CG1 3.3Å; I476-I480 WeakPolarHBondContact O-CG1 3.26Å; I476-I480 PolarHBondContact O-N 3.09Å; H478-I480 PolarHBondContact O-N 3.46Å; I480-L484 VanDerWaalsContact O-CB 3.28Å; I480-L484 WeakPolarHBondContact O-CB 3.32Å; I480-L484 PolarHBondContact O-N 3.05Å; I480-P554 VanDerWaalsContact CG2-CD 3.49Å; I480-P554 HydrophobicContact CG2-CG 4.23Å; I480-Y602 HydrophobicContact CB-CD2 4.39Å; I480-Y602 HydrophobicContact CD1-CD1 4.03Å; I480-Y602 HydrophobicContact CD1-CD2 4.42Å; I480-Y602 HydrophobicContact CD1-CG 3.84Å; I480-Y602 HydrophobicContact CG1-CD1 3.84Å; I480-Y602 HydrophobicContact CG1-CD2 4.05Å; I480-Y602 HydrophobicContact CG1-CE1 4.13Å; I480-Y602 HydrophobicContact CG1-CE2 4.3Å; I480-Y602 HydrophobicContact CG1-CG 3.81Å; I480-Y602 HydrophobicContact CG2-CD2 3.66Å; I480-Y602 HydrophobicContact CG2-CE2 4.04Å; I480-Y602 HydrophobicContact CG2-CG 4.16Å; I480-L606 HydrophobicContact CD1-CD1 4.2Å; I480-L606 HydrophobicContact CD1-CD2 3.88Å; I480-L606 HydrophobicContact CD1-CG 3.68Å
481	Y	96.5	Very high	94.3	Very high	13 Å²	13	22 Å²	22	5%	0.051	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-52	176.2	-176.6	-91.8	0	0	0	111.5	R477 H478 A483 L484 Q485 D520 P548 R550 V552	R477-Y481 VanDerWaalsContact O-CB 3.28Å; R477-Y481 WeakPolarHBondContact O-CB 3.26Å; R477-Y481 PolarHBondContact O-N 3.35Å; H478-Y481 PolarHBondContact O-N 2.81Å; Y481-A483 PolarHBondContact O-N 2.89Å; Y481-L484 PolarHBondContact O-N 3.32Å; Y481-Q485 HydrophobicContact CD1-CG 3.95Å; Y481-Q485 HydrophobicContact CD2-CG 4.29Å; Y481-Q485 HydrophobicContact CE1-CB 4.47Å; Y481-Q485 HydrophobicContact CE1-CG 3.55Å; Y481-Q485 HydrophobicContact CE2-CG 3.92Å; Y481-Q485 HydrophobicContact CG-CG 4.31Å; Y481-Q485 WeakPolarHBondContact O-CG 3.37Å; Y481-Q485 PolarHBondContact O-N 2.76Å; Y481-D520 WeakPolarHBondContact OH-CB 3.4Å; Y481-D520 PolarHBondContact OH-OD2 3.22Å; Y481-P548 HydrophobicContact CE1-CB 4.38Å; Y481-P548 HydrophobicContact CE1-CG 4.35Å; Y481-P548 WeakPolarHBondContact CE1-O 3.37Å; Y481-P548 WeakPolarHBondContact OH-CG 3.36Å; Y481-R550 WeakPolarHBondContact CB-O 3.4Å; Y481-R550 HydrophobicContact CD1-CB 3.91Å; Y481-R550 HydrophobicContact CD1-CG 4.5Å; Y481-R550 HydrophobicContact CD2-CB 4.07Å; Y481-R550 HydrophobicContact CE1-CB 3.77Å; Y481-R550 HydrophobicContact CE1-CG 3.86Å; Y481-R550 HydrophobicContact CE2-CB 3.94Å; Y481-R550 HydrophobicContact CE2-CG 4.17Å; Y481-R550 HydrophobicContact CG-CB 4.05Å; Y481-R550 WeakPolarHBondContact OH-CD 3.24Å; Y481-V552 WeakPolarHBondContact CB-O 3.41Å; Y481-V552 HydrophobicContact CD2-CG1 4.29Å; Y481-V552 WeakPolarHBondContact CD2-O 3.2Å
482	S	95.8	Very high	94.7	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.049	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-47.9	179.8	-58.7	0	0	0	0	111.4	H478 T479 L484 Q485 D486 R549	H478-S482 WeakPolarHBondContact O-CB 3.2Å; H478-S482 PolarHBondContact O-N 3.35Å; H478-S482 PolarHBondContact O-OG 3.47Å; T479-S482 PolarHBondContact O-N 3.01Å; S482-L484 PolarHBondContact O-N 3.45Å; S482-Q485 PolarHBondContact O-N 3.08Å; S482-D486 VanDerWaalsContact O-CB 3.23Å; S482-D486 WeakPolarHBondContact O-CB 3.08Å; S482-D486 PolarHBondContact O-N 3.21Å; S482-R549 WeakPolarHBondContact OG-CD 3.44Å; S482-R549 PolarHBondContact OG-NE 3.08Å
483	A	96.6	Very high	94.8	Very high	25 Å²	25	21 Å²	21	21%	0.207	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-42.7	178.7	0	0	0	0	0	112.3	T479 Y481 F487 F595	T479-A483 VanDerWaalsContact O-CB 3.28Å; T479-A483 WeakPolarHBondContact O-CB 3.46Å; T479-A483 PolarHBondContact O-N 3.41Å; Y481-A483 PolarHBondContact O-N 2.89Å; A483-F487 WeakPolarHBondContact O-CB 3.45Å; A483-F487 PolarHBondContact O-N 3.24Å; A483-F487 VanDerWaalsContact O-N 3.07Å; A483-F595 HydrophobicContact CB-CE2 4.48Å
484	L	96.8	Very high	94.9	Very high	6 Å²	6	23 Å²	23	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-45.5	178.5	179.3	65.1	0	0	0	111.9	I480 Y481 S482 A488 V518 P554 V562 F595	I480-L484 VanDerWaalsContact O-CB 3.28Å; I480-L484 WeakPolarHBondContact O-CB 3.32Å; I480-L484 PolarHBondContact O-N 3.05Å; Y481-L484 PolarHBondContact O-N 3.32Å; S482-L484 PolarHBondContact O-N 3.45Å; L484-A488 VanDerWaalsContact O-CB 3.24Å; L484-A488 WeakPolarHBondContact O-CB 3.02Å; L484-A488 PolarHBondContact O-N 3.07Å; L484-V518 HydrophobicContact CD1-CB 4.46Å; L484-V518 HydrophobicContact CD1-CG2 4.13Å; L484-V518 HydrophobicContact CD2-CB 4.13Å; L484-V518 HydrophobicContact CD2-CG1 4.22Å; L484-V518 HydrophobicContact CG-CB 4.38Å; L484-V518 HydrophobicContact CG-CG2 4.37Å; L484-P554 HydrophobicContact CD2-CB 3.76Å; L484-P554 HydrophobicContact CD2-CG 3.97Å; L484-V562 HydrophobicContact CD1-CG1 4.3Å; L484-F595 HydrophobicContact CB-CZ 4.4Å; L484-F595 HydrophobicContact CD1-CE1 4.33Å; L484-F595 HydrophobicContact CD1-CZ 3.7Å
485	Q	96.6	Very high	95.1	Very high	5 Å²	5	19.3 Å²	19.3	2%	0.023	10%	0.101	C	C	.	.	H	α-helix	trans	-72.2	-42.1	-178.7	-64.1	-54.3	-35.6	0	0	112.1	Y481 S482 F487 A488 Q489 V518 V547	Y481-Q485 HydrophobicContact CD1-CG 3.95Å; Y481-Q485 HydrophobicContact CD2-CG 4.29Å; Y481-Q485 HydrophobicContact CE1-CB 4.47Å; Y481-Q485 HydrophobicContact CE1-CG 3.55Å; Y481-Q485 HydrophobicContact CE2-CG 3.92Å; Y481-Q485 HydrophobicContact CG-CG 4.31Å; Y481-Q485 WeakPolarHBondContact O-CG 3.37Å; Y481-Q485 PolarHBondContact O-N 2.76Å; S482-Q485 PolarHBondContact O-N 3.08Å; Q485-F487 VanDerWaalsContact C-N 3.29Å; Q485-F487 PolarHBondContact O-N 2.81Å; Q485-A488 PolarHBondContact O-N 2.92Å; Q485-Q489 WeakPolarHBondContact O-CB 3.23Å; Q485-Q489 WeakPolarHBondContact O-CG 3.49Å; Q485-Q489 PolarHBondContact O-N 2.81Å; Q485-V518 PolarHBondContact NE2-O 3.29Å; Q485-V518 PolarHBondContact OE1-O 3.28Å; Q485-V547 HydrophobicContact CB-CG1 3.37Å; Q485-V547 HydrophobicContact CG-CG1 4.41Å
486	D	96.1	Very high	95.1	Very high	45 Å²	45	19.3 Å²	19.3	24%	0.241	10%	0.101	C	C	.	.	H	α-helix	trans	-61.1	-43.3	176.2	-68.7	-11.8	0	0	0	110.2	S482 I490 T491 V547 R549	S482-D486 VanDerWaalsContact O-CB 3.23Å; S482-D486 WeakPolarHBondContact O-CB 3.08Å; S482-D486 PolarHBondContact O-N 3.21Å; D486-I490 WeakPolarHBondContact O-CA 3.43Å; D486-I490 VanDerWaalsContact O-CB 3.29Å; D486-I490 WeakPolarHBondContact O-CB 3.46Å; D486-I490 PolarHBondContact O-N 2.87Å; D486-T491 PolarHBondContact O-N 2.95Å; D486-V547 WeakPolarHBondContact OD1-CG1 3.14Å; D486-R549 IonicContact OD1-CZ 2.66Å; D486-R549 IonicContact OD1-NH1 3.62Å; D486-R549 PolarHBondContact OD1-NH1 3.32Å; D486-R549 IonicContact OD1-NH2 2.84Å; D486-R549 PolarHBondContact OD1-NH2 3.11Å; D486-R549 IonicContact OD2-CZ 2.8Å; D486-R549 IonicContact OD2-NH1 3.63Å; D486-R549 IonicContact OD2-NH2 3.18Å; D486-R549 PolarHBondContact OD2-NH2 3.42Å
487	F	96.9	Very high	95	Very high	11 Å²	11	20.6 Å²	20.6	5%	0.048	11%	0.106	C	C	.	.	I	π-helix	trans	-63	-52.1	175.8	-179.2	-99	0	0	0	111.9	A483 Q485 T491 L492 L566 I592 F595	A483-F487 WeakPolarHBondContact O-CB 3.45Å; A483-F487 PolarHBondContact O-N 3.24Å; A483-F487 VanDerWaalsContact O-N 3.07Å; Q485-F487 VanDerWaalsContact C-N 3.29Å; Q485-F487 PolarHBondContact O-N 2.81Å; F487-T491 HydrophobicContact CD2-CG2 3.95Å; F487-T491 HydrophobicContact CE2-CG2 4.14Å; F487-T491 WeakPolarHBondContact O-CB 3.18Å; F487-T491 PolarHBondContact O-N 3.06Å; F487-L492 HydrophobicContact CD1-CD1 4.34Å; F487-L492 HydrophobicContact CD1-CG 4.21Å; F487-L492 HydrophobicContact CE1-CD1 3.93Å; F487-L492 HydrophobicContact CE1-CD2 3.77Å; F487-L492 HydrophobicContact CE1-CG 3.86Å; F487-L492 HydrophobicContact CE2-CD2 4.27Å; F487-L492 HydrophobicContact CZ-CD2 3.62Å; F487-L492 HydrophobicContact CZ-CG 4.18Å; F487-L492 WeakPolarHBondContact O-CG 3.42Å; F487-L492 PolarHBondContact O-N 3.21Å; F487-L566 HydrophobicContact CE1-CD1 3.59Å; F487-L566 HydrophobicContact CE1-CD2 3.77Å; F487-L566 HydrophobicContact CE1-CG 4.32Å; F487-L566 HydrophobicContact CZ-CD1 3.99Å; F487-L566 HydrophobicContact CZ-CD2 3.86Å; F487-I592 HydrophobicContact CZ-CG1 4.15Å; F487-F595 HydrophobicContact CB-CD2 3.79Å; F487-F595 HydrophobicContact CB-CE2 3.96Å; F487-F595 HydrophobicContact CB-CG 4.28Å; F487-F595 AromaticContact CD1-CD1 3.83Å; F487-F595 HydrophobicContact CD1-CD1 3.83Å; F487-F595 HydrophobicContact CD1-CD2 4.21Å; F487-F595 HydrophobicContact CD1-CE1 4.07Å; F487-F595 HydrophobicContact CD1-CE2 4.43Å; F487-F595 AromaticContact CD1-CG 3.9Å; F487-F595 HydrophobicContact CD1-CG 3.9Å; F487-F595 HydrophobicContact CD1-CZ 4.38Å; F487-F595 HydrophobicContact CD2-CB 3.66Å; F487-F595 HydrophobicContact CD2-CD1 4.48Å; F487-F595 HydrophobicContact CD2-CD2 4.06Å; F487-F595 AromaticContact CD2-CG 3.8Å; F487-F595 HydrophobicContact CD2-CG 3.8Å; F487-F595 HydrophobicContact CE1-CB 4.47Å; F487-F595 AromaticContact CE1-CD1 3.87Å; F487-F595 HydrophobicContact CE1-CD1 3.87Å; F487-F595 HydrophobicContact CE1-CE1 4.37Å; F487-F595 HydrophobicContact CE1-CG 4.16Å; F487-F595 HydrophobicContact CE2-CB 3.61Å; F487-F595 HydrophobicContact CE2-CD1 4.5Å; F487-F595 HydrophobicContact CE2-CG 4.05Å; F487-F595 HydrophobicContact CG-CB 4.12Å; F487-F595 HydrophobicContact CG-CD1 4.14Å; F487-F595 AromaticContact CG-CD2 3.75Å; F487-F595 HydrophobicContact CG-CD2 3.75Å; F487-F595 HydrophobicContact CG-CE2 4.21Å; F487-F595 AromaticContact CG-CG 3.71Å; F487-F595 HydrophobicContact CG-CG 3.71Å; F487-F595 HydrophobicContact CZ-CB 4.03Å; F487-F595 HydrophobicContact CZ-CD1 4.2Å; F487-F595 HydrophobicContact CZ-CG 4.22Å
488	A	95.6	Very high	94.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	10%	0.1	C	C	.	.	I	π-helix	trans	-72.3	-38.3	-174	0	0	0	0	0	113.6	L484 Q485 R515 V518	L484-A488 VanDerWaalsContact O-CB 3.24Å; L484-A488 WeakPolarHBondContact O-CB 3.02Å; L484-A488 PolarHBondContact O-N 3.07Å; Q485-A488 PolarHBondContact O-N 2.92Å; A488-R515 WeakPolarHBondContact O-CG 3.21Å; A488-V518 HydrophobicContact CB-CG2 3.93Å
489	Q	94.8	Very high	94.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-88.6	-34.9	-175.8	-61.1	-170.5	30.1	0	0	113.2	Q485 R493 C519 D520 W521 V547	Q485-Q489 WeakPolarHBondContact O-CB 3.23Å; Q485-Q489 WeakPolarHBondContact O-CG 3.49Å; Q485-Q489 PolarHBondContact O-N 2.81Å; Q489-R493 WeakPolarHBondContact O-CD 3.48Å; Q489-R493 WeakPolarHBondContact O-CG 3.29Å; Q489-C519 HydrophobicContact CG-CB 4.11Å; Q489-D520 PolarHBondContact NE2-O 3.16Å; Q489-W521 HydrophobicContact CB-CH2 3.76Å; Q489-W521 HydrophobicContact CB-CZ3 3.7Å; Q489-W521 HydrophobicContact CG-CE3 4.13Å; Q489-W521 HydrophobicContact CG-CH2 3.66Å; Q489-W521 HydrophobicContact CG-CZ2 4.25Å; Q489-W521 HydrophobicContact CG-CZ3 3.64Å; Q489-W521 VanDerWaalsContact OE1-CZ3 3.26Å; Q489-V547 HydrophobicContact CB-CG2 4.19Å
490	I	94.3	Very high	94.3	Very high	73 Å²	73	19.3 Å²	19.3	37%	0.374	10%	0.104	S	C	.	.	I	π-helix	trans	-106.9	-60.5	-176.2	-55.8	175	0	0	0	110.8	D486 L492 R493 V547	D486-I490 WeakPolarHBondContact O-CA 3.43Å; D486-I490 VanDerWaalsContact O-CB 3.29Å; D486-I490 WeakPolarHBondContact O-CB 3.46Å; D486-I490 PolarHBondContact O-N 2.87Å; I490-L492 VanDerWaalsContact C-N 3.35Å; I490-L492 PolarHBondContact O-N 3.27Å; I490-R493 VanDerWaalsContact O-CB 3.27Å; I490-R493 WeakPolarHBondContact O-CB 3.25Å; I490-R493 VanDerWaalsContact O-CG 3.29Å; I490-R493 WeakPolarHBondContact O-CG 3.17Å; I490-R493 PolarHBondContact O-N 2.81Å; I490-R493 VanDerWaalsContact O-N 3.08Å; I490-V547 HydrophobicContact CD1-CG2 3.57Å; I490-V547 HydrophobicContact CG1-CG2 3.81Å
491	T	94.7	Very high	94	Very high	48 Å²	48	26 Å²	26	29%	0.294	13%	0.133	S	C	.	.	I	π-helix	trans	-62.1	-39.8	-171.6	-50.8	0	0	0	0	112.4	D486 F487 R493 P495 D591	D486-T491 PolarHBondContact O-N 2.95Å; F487-T491 HydrophobicContact CD2-CG2 3.95Å; F487-T491 HydrophobicContact CE2-CG2 4.14Å; F487-T491 WeakPolarHBondContact O-CB 3.18Å; F487-T491 PolarHBondContact O-N 3.06Å; T491-R493 PolarHBondContact O-N 3.5Å; T491-P495 WeakPolarHBondContact O-CD 3.3Å; T491-D591 HydrophobicContact CG2-CB 3.94Å
492	L	94.9	Very high	93.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.7	178.9	-67.5	-172	0	0	0	114.8	F487 I490 D494 P495 L496 L511 I514	F487-L492 HydrophobicContact CD1-CD1 4.34Å; F487-L492 HydrophobicContact CD1-CG 4.21Å; F487-L492 HydrophobicContact CE1-CD1 3.93Å; F487-L492 HydrophobicContact CE1-CD2 3.77Å; F487-L492 HydrophobicContact CE1-CG 3.86Å; F487-L492 HydrophobicContact CE2-CD2 4.27Å; F487-L492 HydrophobicContact CZ-CD2 3.62Å; F487-L492 HydrophobicContact CZ-CG 4.18Å; F487-L492 WeakPolarHBondContact O-CG 3.42Å; F487-L492 PolarHBondContact O-N 3.21Å; I490-L492 VanDerWaalsContact C-N 3.35Å; I490-L492 PolarHBondContact O-N 3.27Å; L492-D494 PolarHBondContact O-N 2.91Å; L492-P495 HydrophobicContact CD2-CG 4.47Å; L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 PolarHBondContact O-N 2.87Å; L492-L496 VanDerWaalsContact O-N 3.08Å; L492-L511 HydrophobicContact CD1-CD2 4.29Å; L492-L511 HydrophobicContact CD2-CD2 3.88Å; L492-I514 HydrophobicContact CD1-CB 4.39Å; L492-I514 HydrophobicContact CD1-CG2 3.74Å
493	R	93.9	Very high	93.3	Very high	14 Å²	14	38 Å²	38	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-46	176.2	-67.4	177.2	66.7	-122.7	-8	111.8	Q489 I490 T491 L496 R497 D530 A532 D538	Q489-R493 WeakPolarHBondContact O-CD 3.48Å; Q489-R493 WeakPolarHBondContact O-CG 3.29Å; I490-R493 VanDerWaalsContact O-CB 3.27Å; I490-R493 WeakPolarHBondContact O-CB 3.25Å; I490-R493 VanDerWaalsContact O-CG 3.29Å; I490-R493 WeakPolarHBondContact O-CG 3.17Å; I490-R493 PolarHBondContact O-N 2.81Å; I490-R493 VanDerWaalsContact O-N 3.08Å; T491-R493 PolarHBondContact O-N 3.5Å; R493-L496 PolarHBondContact O-N 2.8Å; R493-R497 WeakPolarHBondContact O-CB 3.14Å; R493-R497 PolarHBondContact O-N 3.1Å; R493-D530 IonicContact CZ-OD1 3.91Å; R493-D530 IonicContact NE-OD1 3.28Å; R493-D530 PolarHBondContact NE-OD1 3.35Å; R493-D530 IonicContact NE-OD2 2.6Å; R493-D530 PolarHBondContact NE-OD2 3.5Å; R493-D530 IonicContact NH2-OD1 2.79Å; R493-D530 PolarHBondContact NH2-OD1 3.01Å; R493-A532 HydrophobicContact CB-CB 4.16Å; R493-D538 IonicContact CZ-OD1 2.83Å; R493-D538 IonicContact CZ-OD2 3.89Å; R493-D538 IonicContact NH1-OD1 3.92Å; R493-D538 IonicContact NH1-OD2 3.68Å; R493-D538 PolarHBondContact NH1-OD2 3.11Å; R493-D538 IonicContact NH2-OD1 3.28Å; R493-D538 PolarHBondContact NH2-OD1 3.4Å; R493-D538 IonicContact NH2-OD2 3.93Å; R493-D538 PolarHBondContact NH2-OD2 3.21Å
494	D	90.9	Very high	92.9	Very high	64 Å²	64	40.1 Å²	40.1	34%	0.342	19%	0.189	S	C	.	.	H	α-helix	trans	-67.1	-50	-175.8	-105.6	33	0	0	0	112.9	L492 L496 R497 Q498	L492-D494 PolarHBondContact O-N 2.91Å; D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.12Å; D494-R497 PolarHBondContact O-N 3.2Å; D494-R497 IonicContact OD1-CZ 3.86Å; D494-R497 IonicContact OD1-NH1 2.86Å; D494-R497 PolarHBondContact OD1-NH1 3.29Å; D494-R497 IonicContact OD1-NH2 2.76Å; D494-R497 PolarHBondContact OD1-NH2 2.71Å; D494-R497 IonicContact OD2-CZ 2.77Å; D494-R497 IonicContact OD2-NH1 2.73Å; D494-R497 IonicContact OD2-NH2 2.84Å; D494-R497 PolarHBondContact OD2-NH2 3.35Å; D494-Q498 WeakPolarHBondContact O-CG 3.4Å; D494-Q498 PolarHBondContact O-N 3.42Å; D494-Q498 VanDerWaalsContact O-N 3.1Å
495	P	92	Very high	92.4	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-56	-41.7	170.8	-22.6	29.3	0	0	0	112.8	T491 L492 Q498 A499 L511 T588	T491-P495 WeakPolarHBondContact O-CD 3.3Å; L492-P495 HydrophobicContact CD2-CG 4.47Å; P495-Q498 PolarHBondContact O-N 2.8Å; P495-A499 WeakPolarHBondContact O-CB 3.34Å; P495-A499 PolarHBondContact O-N 3.37Å; P495-L511 HydrophobicContact CB-CD1 3.8Å; P495-T588 HydrophobicContact CB-CG2 4.38Å; P495-T588 HydrophobicContact CG-CG2 3.73Å
496	L	92.4	Very high	91.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-43.9	180	-179.1	64.3	0	0	0	112.2	L492 R493 D494 Q498 A499 I500 Q508 L511 Q512 L533	L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 PolarHBondContact O-N 2.87Å; L492-L496 VanDerWaalsContact O-N 3.08Å; R493-L496 PolarHBondContact O-N 2.8Å; D494-L496 VanDerWaalsContact C-N 3.29Å; D494-L496 PolarHBondContact O-N 3.12Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.88Å; L496-A499 WeakPolarHBondContact O-CB 3.37Å; L496-A499 PolarHBondContact O-N 3.09Å; L496-A499 VanDerWaalsContact O-N 3.15Å; L496-I500 HydrophobicContact CD1-CD1 4.12Å; L496-I500 HydrophobicContact CD1-CG1 4.37Å; L496-I500 HydrophobicContact CG-CD1 3.96Å; L496-I500 WeakPolarHBondContact O-CG1 3.1Å; L496-I500 PolarHBondContact O-N 2.89Å; L496-Q508 HydrophobicContact CD1-CB 4.47Å; L496-Q508 HydrophobicContact CD1-CG 3.92Å; L496-L511 HydrophobicContact CB-CD1 4.18Å; L496-L511 HydrophobicContact CD1-CB 4.09Å; L496-L511 HydrophobicContact CD1-CD1 4.49Å; L496-Q512 HydrophobicContact CD1-CG 3.89Å; L496-Q512 HydrophobicContact CD2-CG 4.43Å; L496-L533 HydrophobicContact CD2-CD2 3.8Å
497	R	93.6	Very high	91.4	Very high	28 Å²	28	47.3 Å²	47.3	11%	0.106	23%	0.23	C	C	.	.	H	α-helix	trans	-53.9	-47.1	173.6	-179.8	-169.5	64.7	-140.2	-7.3	110.7	R493 D494 I500 K501 A532 E536	R493-R497 WeakPolarHBondContact O-CB 3.14Å; R493-R497 PolarHBondContact O-N 3.1Å; D494-R497 PolarHBondContact O-N 3.2Å; D494-R497 IonicContact OD1-CZ 3.86Å; D494-R497 IonicContact OD1-NH1 2.86Å; D494-R497 PolarHBondContact OD1-NH1 3.29Å; D494-R497 IonicContact OD1-NH2 2.76Å; D494-R497 PolarHBondContact OD1-NH2 2.71Å; D494-R497 IonicContact OD2-CZ 2.77Å; D494-R497 IonicContact OD2-NH1 2.73Å; D494-R497 IonicContact OD2-NH2 2.84Å; D494-R497 PolarHBondContact OD2-NH2 3.35Å; R497-I500 PolarHBondContact O-N 3.25Å; R497-K501 WeakPolarHBondContact O-CB 3.35Å; R497-K501 PolarHBondContact O-N 3.26Å; R497-A532 WeakPolarHBondContact CA-O 3.44Å; R497-A532 HydrophobicContact CB-CB 3.88Å; R497-A532 HydrophobicContact CG-CB 4.45Å; R497-E536 WeakPolarHBondContact CD-O 3.46Å; R497-E536 WeakPolarHBondContact CG-O 3.45Å
498	Q	88.7	Confident	91.1	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-39.6	179.7	-68.2	-172.4	17.2	0	0	112.2	D494 P495 L496 I500 K501 K502 E585	D494-Q498 WeakPolarHBondContact O-CG 3.4Å; D494-Q498 PolarHBondContact O-N 3.42Å; D494-Q498 VanDerWaalsContact O-N 3.1Å; P495-Q498 PolarHBondContact O-N 2.8Å; L496-Q498 VanDerWaalsContact C-N 3.26Å; L496-Q498 PolarHBondContact O-N 2.88Å; Q498-I500 VanDerWaalsContact C-N 3.34Å; Q498-I500 PolarHBondContact O-N 2.87Å; Q498-K501 PolarHBondContact O-N 3.26Å; Q498-K502 VanDerWaalsContact O-CB 3.26Å; Q498-K502 WeakPolarHBondContact O-CB 3.32Å; Q498-K502 WeakPolarHBondContact O-CG 3.49Å; Q498-K502 PolarHBondContact O-N 3.4Å; Q498-E585 PolarHBondContact NE2-OE1 3.32Å; Q498-E585 PolarHBondContact NE2-OE2 3.36Å; Q498-E585 PolarHBondContact OE1-OE1 2.92Å; Q498-E585 VanDerWaalsContact OE1-OE1 3.07Å; Q498-E585 PolarHBondContact OE1-OE2 2.76Å
499	A	90.8	Very high	90.8	Very high	4 Å²	4	51 Å²	51	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-44.2	175.9	0	0	0	0	0	111.2	P495 L496 K503 K504 I507 Q508	P495-A499 WeakPolarHBondContact O-CB 3.34Å; P495-A499 PolarHBondContact O-N 3.37Å; L496-A499 WeakPolarHBondContact O-CB 3.37Å; L496-A499 PolarHBondContact O-N 3.09Å; L496-A499 VanDerWaalsContact O-N 3.15Å; A499-K503 CarbonylContact O-C 3.35Å; A499-K503 PolarHBondContact O-N 2.99Å; A499-K503 VanDerWaalsContact O-N 3.09Å; A499-K504 HydrophobicContact CB-CB 4.21Å; A499-K504 PolarHBondContact O-N 2.98Å; A499-I507 HydrophobicContact CB-CB 4.25Å; A499-I507 HydrophobicContact CB-CG2 3.93Å; A499-Q508 HydrophobicContact CB-CB 4.1Å
500	I	91.4	Very high	90.5	Very high	34 Å²	34	51.1 Å²	51.1	17%	0.174	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-51.4	176.9	-65.5	169	0	0	0	110.6	L496 R497 Q498 K502 K503 Q508 L533	L496-I500 HydrophobicContact CD1-CD1 4.12Å; L496-I500 HydrophobicContact CD1-CG1 4.37Å; L496-I500 HydrophobicContact CG-CD1 3.96Å; L496-I500 WeakPolarHBondContact O-CG1 3.1Å; L496-I500 PolarHBondContact O-N 2.89Å; R497-I500 PolarHBondContact O-N 3.25Å; Q498-I500 VanDerWaalsContact C-N 3.34Å; Q498-I500 PolarHBondContact O-N 2.87Å; I500-K502 VanDerWaalsContact C-N 3.34Å; I500-K502 PolarHBondContact O-N 3.35Å; I500-K503 PolarHBondContact O-N 3.36Å; I500-K503 VanDerWaalsContact O-N 3.1Å; I500-Q508 HydrophobicContact CG1-CG 4.01Å; I500-L533 WeakPolarHBondContact CD1-O 3.27Å
501	K	90.8	Very high	90.4	Very high	141 Å²	141	47.6 Å²	47.6	61%	0.613	24%	0.235	S	C	*	.	H	α-helix	trans	-58.2	-42.7	-179.5	-178.6	178.9	178.1	178.8	0	112.8	R497 Q498 K503	R497-K501 WeakPolarHBondContact O-CB 3.35Å; R497-K501 PolarHBondContact O-N 3.26Å; Q498-K501 PolarHBondContact O-N 3.26Å; K501-K503 VanDerWaalsContact C-N 3.33Å
502	K	88.4	Confident	90.2	Very high	98 Å²	98	48 Å²	48	43%	0.426	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.5	-179.2	-62.7	174.5	-177.4	165.9	0	112.7	Q498 I500 K504 E585	Q498-K502 VanDerWaalsContact O-CB 3.26Å; Q498-K502 WeakPolarHBondContact O-CB 3.32Å; Q498-K502 WeakPolarHBondContact O-CG 3.49Å; Q498-K502 PolarHBondContact O-N 3.4Å; I500-K502 VanDerWaalsContact C-N 3.34Å; I500-K502 PolarHBondContact O-N 3.35Å; K502-K504 VanDerWaalsContact C-N 3.32Å; K502-K504 HydrophobicContact CB-CG 4.04Å; K502-K504 PolarHBondContact O-N 3.48Å; K502-E585 IonicContact NZ-OE1 3.55Å; K502-E585 PolarHBondContact NZ-OE1 2.89Å
503	K	88.9	Confident	89.9	Confident	173 Å²	173	48.1 Å²	48.1	75%	0.752	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.9	-179.2	-60.1	-176.5	177.5	-177.7	0	114.1	A499 I500 K501 N505	A499-K503 CarbonylContact O-C 3.35Å; A499-K503 PolarHBondContact O-N 2.99Å; A499-K503 VanDerWaalsContact O-N 3.09Å; I500-K503 PolarHBondContact O-N 3.36Å; I500-K503 VanDerWaalsContact O-N 3.1Å; K501-K503 VanDerWaalsContact C-N 3.33Å; K503-N505 PolarHBondContact O-N 3.43Å
504	K	87.6	Confident	89.8	Confident	70 Å²	70	47.5 Å²	47.5	30%	0.304	23%	0.233	S	C	.	.			trans	-88.8	69.2	176.9	-57.4	-64.1	-174.2	170.5	0	110.7	A499 K502 V506 I507 Q508	A499-K504 HydrophobicContact CB-CB 4.21Å; A499-K504 PolarHBondContact O-N 2.98Å; K502-K504 VanDerWaalsContact C-N 3.32Å; K502-K504 HydrophobicContact CB-CG 4.04Å; K502-K504 PolarHBondContact O-N 3.48Å; K504-V506 VanDerWaalsContact C-N 3.26Å; K504-V506 PolarHBondContact O-N 3.07Å; K504-V506 VanDerWaalsContact O-N 3.12Å; K504-I507 HydrophobicContact CB-CB 4.24Å; K504-I507 HydrophobicContact CB-CD1 4.37Å; K504-I507 PolarHBondContact O-N 2.96Å; K504-I507 VanDerWaalsContact O-N 3.09Å; K504-Q508 PolarHBondContact O-N 3.33Å
505	N	86.6	Confident	89.9	Confident	111 Å²	111	44.7 Å²	44.7	59%	0.594	22%	0.217	S	C	*	.	H	α-helix	trans	-55.4	-34.2	-171.1	-60.5	-16.2	0	0	0	114.5	K503 S509	K503-N505 PolarHBondContact O-N 3.43Å; N505-S509 WeakPolarHBondContact O-CB 3.22Å; N505-S509 PolarHBondContact O-N 2.92Å; N505-S509 PolarHBondContact O-OG 3.49Å
506	V	85.6	Confident	89.7	Confident	90 Å²	90	51 Å²	51	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-71.5	-41.3	178.9	-177.3	0	0	0	0	112	K504 S509 V510 L580	K504-V506 VanDerWaalsContact C-N 3.26Å; K504-V506 PolarHBondContact O-N 3.07Å; K504-V506 VanDerWaalsContact O-N 3.12Å; V506-S509 PolarHBondContact O-N 2.94Å; V506-S509 PolarHBondContact O-OG 3.08Å; V506-V510 WeakPolarHBondContact O-CG2 3.37Å; V506-V510 PolarHBondContact O-N 3.27Å; V506-L580 HydrophobicContact CB-CD2 4.33Å; V506-L580 HydrophobicContact CG1-CD2 3.82Å
507	I	87.5	Confident	89.6	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-42	175.7	-66.6	175.7	0	0	0	109.4	A499 K504 S509 V510 L511 L569 L580 L584	A499-I507 HydrophobicContact CB-CB 4.25Å; A499-I507 HydrophobicContact CB-CG2 3.93Å; K504-I507 HydrophobicContact CB-CB 4.24Å; K504-I507 HydrophobicContact CB-CD1 4.37Å; K504-I507 PolarHBondContact O-N 2.96Å; K504-I507 VanDerWaalsContact O-N 3.09Å; I507-S509 VanDerWaalsContact C-N 3.33Å; I507-S509 PolarHBondContact O-N 3.22Å; I507-V510 PolarHBondContact O-N 3.45Å; I507-L511 HydrophobicContact CG2-CD1 3.68Å; I507-L511 HydrophobicContact CG2-CG 4.12Å; I507-L511 WeakPolarHBondContact O-CB 3.33Å; I507-L511 VanDerWaalsContact O-CG 3.28Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.89Å; I507-L569 HydrophobicContact CG1-CD2 4.26Å; I507-L569 HydrophobicContact CG2-CD2 4.22Å; I507-L580 HydrophobicContact CG1-CD2 4.04Å; I507-L584 HydrophobicContact CD1-CD2 4.13Å; I507-L584 HydrophobicContact CD1-CG 4.22Å; I507-L584 HydrophobicContact CG2-CD2 3.93Å
508	Q	89.8	Confident	89.5	Confident	45 Å²	45	50.4 Å²	50.4	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-45.9	175.1	179.8	-175.1	-9.1	0	0	111.6	L496 A499 I500 K504 L511 Q512	L496-Q508 HydrophobicContact CD1-CB 4.47Å; L496-Q508 HydrophobicContact CD1-CG 3.92Å; A499-Q508 HydrophobicContact CB-CB 4.1Å; I500-Q508 HydrophobicContact CG1-CG 4.01Å; K504-Q508 PolarHBondContact O-N 3.33Å; Q508-L511 PolarHBondContact O-N 2.68Å; Q508-Q512 HydrophobicContact CG-CG 4.4Å; Q508-Q512 WeakPolarHBondContact O-CB 3.36Å; Q508-Q512 VanDerWaalsContact O-CG 3.3Å; Q508-Q512 WeakPolarHBondContact O-CG 3.24Å; Q508-Q512 PolarHBondContact O-N 3.29Å
509	S	88.9	Confident	89.8	Confident	45 Å²	45	50.4 Å²	50.4	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-40.5	-178.5	64.5	0	0	0	0	112.6	N505 V506 I507 A513	N505-S509 WeakPolarHBondContact O-CB 3.22Å; N505-S509 PolarHBondContact O-N 2.92Å; N505-S509 PolarHBondContact O-OG 3.49Å; V506-S509 PolarHBondContact O-N 2.94Å; V506-S509 PolarHBondContact O-OG 3.08Å; I507-S509 VanDerWaalsContact C-N 3.33Å; I507-S509 PolarHBondContact O-N 3.22Å; S509-A513 VanDerWaalsContact O-CB 3.28Å; S509-A513 WeakPolarHBondContact O-CB 3.37Å; S509-A513 PolarHBondContact O-N 3.03Å
510	V	89.3	Confident	90	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-47.9	175.8	178.3	0	0	0	0	111.2	I56 V506 I507 Q512 A513 I514 M565 L569	I56-V510 HydrophobicContact CD1-CB 4.5Å; I56-V510 HydrophobicContact CD1-CG2 3.52Å; V506-V510 WeakPolarHBondContact O-CG2 3.37Å; V506-V510 PolarHBondContact O-N 3.27Å; I507-V510 PolarHBondContact O-N 3.45Å; V510-Q512 VanDerWaalsContact C-N 3.33Å; V510-Q512 PolarHBondContact O-N 3.44Å; V510-A513 WeakPolarHBondContact O-CB 3.21Å; V510-A513 PolarHBondContact O-N 2.91Å; V510-A513 VanDerWaalsContact O-N 3.16Å; V510-I514 HydrophobicContact CG1-CD1 4.15Å; V510-I514 WeakPolarHBondContact O-CG1 3.4Å; V510-I514 PolarHBondContact O-N 3.46Å; V510-M565 HydrophobicContact CG1-CB 3.89Å; V510-M565 HydrophobicContact CG1-CG 4.38Å; V510-L569 HydrophobicContact CB-CD2 4.19Å; V510-L569 HydrophobicContact CG1-CD1 4.01Å; V510-L569 HydrophobicContact CG1-CD2 4.08Å; V510-L569 HydrophobicContact CG1-CG 3.95Å
511	L	91.5	Very high	90	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-40	178.9	-70.4	176.9	0	0	0	112.1	L492 P495 L496 I507 Q508 R515 L569	L492-L511 HydrophobicContact CD1-CD2 4.29Å; L492-L511 HydrophobicContact CD2-CD2 3.88Å; P495-L511 HydrophobicContact CB-CD1 3.8Å; L496-L511 HydrophobicContact CB-CD1 4.18Å; L496-L511 HydrophobicContact CD1-CB 4.09Å; L496-L511 HydrophobicContact CD1-CD1 4.49Å; I507-L511 HydrophobicContact CG2-CD1 3.68Å; I507-L511 HydrophobicContact CG2-CG 4.12Å; I507-L511 WeakPolarHBondContact O-CB 3.33Å; I507-L511 VanDerWaalsContact O-CG 3.28Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.89Å; Q508-L511 PolarHBondContact O-N 2.68Å; L511-R515 WeakPolarHBondContact O-CG 3.29Å; L511-R515 PolarHBondContact O-N 3.42Å; L511-R515 VanDerWaalsContact O-N 3.12Å; L511-L569 HydrophobicContact CD2-CD1 3.69Å; L511-L569 HydrophobicContact CG-CD1 4.29Å
512	Q	89.8	Confident	90.1	Very high	56 Å²	56	50.6 Å²	50.6	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-36.5	174.4	-74.4	-177.4	-14.4	0	0	112.4	L496 Q508 V510 I514 R515 K516	L496-Q512 HydrophobicContact CD1-CG 3.89Å; L496-Q512 HydrophobicContact CD2-CG 4.43Å; Q508-Q512 HydrophobicContact CG-CG 4.4Å; Q508-Q512 WeakPolarHBondContact O-CB 3.36Å; Q508-Q512 VanDerWaalsContact O-CG 3.3Å; Q508-Q512 WeakPolarHBondContact O-CG 3.24Å; Q508-Q512 PolarHBondContact O-N 3.29Å; V510-Q512 VanDerWaalsContact C-N 3.33Å; V510-Q512 PolarHBondContact O-N 3.44Å; Q512-I514 VanDerWaalsContact C-N 3.35Å; Q512-R515 PolarHBondContact O-N 3.49Å; Q512-K516 WeakPolarHBondContact O-CB 3.26Å; Q512-K516 VanDerWaalsContact O-CG 3.26Å; Q512-K516 WeakPolarHBondContact O-CG 3.34Å; Q512-K516 PolarHBondContact O-N 2.82Å
513	A	89.8	Confident	90.1	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-43.6	175.2	0	0	0	0	0	111.1	T54 S509 V510 K516 T517 M565	T54-A513 WeakPolarHBondContact O-CB 3.1Å; S509-A513 VanDerWaalsContact O-CB 3.28Å; S509-A513 WeakPolarHBondContact O-CB 3.37Å; S509-A513 PolarHBondContact O-N 3.03Å; V510-A513 WeakPolarHBondContact O-CB 3.21Å; V510-A513 PolarHBondContact O-N 2.91Å; V510-A513 VanDerWaalsContact O-N 3.16Å; A513-K516 PolarHBondContact O-N 3.48Å; A513-T517 WeakPolarHBondContact O-CB 3.35Å; A513-T517 PolarHBondContact O-N 2.93Å; A513-T517 PolarHBondContact O-OG1 3.06Å; A513-M565 HydrophobicContact CB-CE 4.49Å; A513-M565 HydrophobicContact CB-SD 3.74Å
514	I	91.9	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-54.8	173	-68.1	162.5	0	0	0	110.1	L492 V510 Q512 K516 T517 V518 V562 M565 L566 L569	L492-I514 HydrophobicContact CD1-CB 4.39Å; L492-I514 HydrophobicContact CD1-CG2 3.74Å; V510-I514 HydrophobicContact CG1-CD1 4.15Å; V510-I514 WeakPolarHBondContact O-CG1 3.4Å; V510-I514 PolarHBondContact O-N 3.46Å; Q512-I514 VanDerWaalsContact C-N 3.35Å; I514-K516 VanDerWaalsContact C-N 3.32Å; I514-K516 PolarHBondContact O-N 2.73Å; I514-T517 WeakPolarHBondContact O-CB 3.36Å; I514-T517 PolarHBondContact O-N 3.26Å; I514-V518 WeakPolarHBondContact O-CG2 3.45Å; I514-V518 PolarHBondContact O-N 3.47Å; I514-V562 HydrophobicContact CG2-CG1 4.21Å; I514-V562 HydrophobicContact CG2-CG2 4.19Å; I514-M565 HydrophobicContact CB-CE 4.46Å; I514-M565 HydrophobicContact CD1-CB 3.85Å; I514-M565 HydrophobicContact CG1-CB 3.74Å; I514-M565 HydrophobicContact CG1-CE 3.7Å; I514-M565 HydrophobicContact CG1-CG 4.48Å; I514-M565 HydrophobicContact CG1-SD 4Å; I514-L566 HydrophobicContact CD1-CD2 3.57Å; I514-L566 HydrophobicContact CD1-CG 3.87Å; I514-L569 HydrophobicContact CD1-CD1 4.46Å
515	R	92.1	Very high	90.1	Very high	6 Å²	6	52.2 Å²	52.2	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-42.5	-179.2	-70.1	-179	72.4	-173.2	0.3	112.6	A488 L511 Q512 T517 C519 E526	A488-R515 WeakPolarHBondContact O-CG 3.21Å; L511-R515 WeakPolarHBondContact O-CG 3.29Å; L511-R515 PolarHBondContact O-N 3.42Å; L511-R515 VanDerWaalsContact O-N 3.12Å; Q512-R515 PolarHBondContact O-N 3.49Å; R515-T517 VanDerWaalsContact C-N 3.28Å; R515-T517 PolarHBondContact O-N 3.48Å; R515-C519 VanDerWaalsContact CA-SG 3.56Å; R515-C519 WeakPolarHBondContact O-CB 3.24Å; R515-C519 PolarHBondContact O-N 3.22Å; R515-C519 PolarHBondContact O-SG 2.81Å; R515-E526 IonicContact CZ-OE1 3.78Å; R515-E526 IonicContact NE-OE1 3.99Å; R515-E526 IonicContact NH1-OE1 3.71Å; R515-E526 IonicContact NH2-OE1 3.43Å; R515-E526 PolarHBondContact NH2-OE1 3.17Å
516	K	89	Confident	90.3	Very high	136 Å²	136	49.5 Å²	49.5	59%	0.591	26%	0.261	S	S	*	.	H	α-helix	trans	-66.5	-27.6	177.4	-72.4	176.3	-176.7	-176.2	0	113.8	T54 Q512 A513 I514	T54-K516 HydrophobicContact CG2-CB 4.27Å; T54-K516 HydrophobicContact CG2-CD 4.15Å; Q512-K516 WeakPolarHBondContact O-CB 3.26Å; Q512-K516 VanDerWaalsContact O-CG 3.26Å; Q512-K516 WeakPolarHBondContact O-CG 3.34Å; Q512-K516 PolarHBondContact O-N 2.82Å; A513-K516 PolarHBondContact O-N 3.48Å; I514-K516 VanDerWaalsContact C-N 3.32Å; I514-K516 PolarHBondContact O-N 2.73Å
517	T	89.4	Confident	90.5	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-77.7	-35.8	-177.6	-56.9	0	0	0	0	112	F52 A513 I514 R515 Q558 M561	F52-T517 HydrophobicContact CB-CG2 4.41Å; F52-T517 HydrophobicContact CD1-CG2 3.78Å; F52-T517 HydrophobicContact CE1-CG2 4.34Å; F52-T517 HydrophobicContact CG-CG2 4.2Å; A513-T517 WeakPolarHBondContact O-CB 3.35Å; A513-T517 PolarHBondContact O-N 2.93Å; A513-T517 PolarHBondContact O-OG1 3.06Å; I514-T517 WeakPolarHBondContact O-CB 3.36Å; I514-T517 PolarHBondContact O-N 3.26Å; R515-T517 VanDerWaalsContact C-N 3.28Å; R515-T517 PolarHBondContact O-N 3.48Å; T517-Q558 HydrophobicContact CG2-CG 4.16Å; T517-Q558 PolarHBondContact O-NE2 3.09Å; T517-Q558 VanDerWaalsContact O-NE2 3.09Å; T517-M561 HydrophobicContact CG2-CB 4.46Å
518	V	92.1	Very high	90.3	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-128.8	-17.2	-168.8	-64.1	0	0	0	0	116.7	L484 Q485 A488 I514 D520 Q558 V562	L484-V518 HydrophobicContact CD1-CB 4.46Å; L484-V518 HydrophobicContact CD1-CG2 4.13Å; L484-V518 HydrophobicContact CD2-CB 4.13Å; L484-V518 HydrophobicContact CD2-CG1 4.22Å; L484-V518 HydrophobicContact CG-CB 4.38Å; L484-V518 HydrophobicContact CG-CG2 4.37Å; Q485-V518 PolarHBondContact NE2-O 3.29Å; Q485-V518 PolarHBondContact OE1-O 3.28Å; A488-V518 HydrophobicContact CB-CG2 3.93Å; I514-V518 WeakPolarHBondContact O-CG2 3.45Å; I514-V518 PolarHBondContact O-N 3.47Å; V518-D520 PolarHBondContact O-N 2.66Å; V518-D520 VanDerWaalsContact O-N 3.12Å; V518-Q558 HydrophobicContact CG1-CB 3.85Å; V518-Q558 HydrophobicContact CG1-CG 4.08Å; V518-V562 HydrophobicContact CB-CG2 4.3Å; V518-V562 HydrophobicContact CG1-CG2 3.43Å; V518-V562 VanDerWaalsContact CG1-CG2 3.43Å; V518-V562 HydrophobicContact CG2-CG2 3.87Å
519	C	94.6	Very high	90.2	Very high	21 Å²	21	56.1 Å²	56.1	14%	0.142	29%	0.29	C	S	.	.			trans	-68.1	114.9	-176.8	-70.1	0	0	0	0	111.3	Q489 R515 W521	Q489-C519 HydrophobicContact CG-CB 4.11Å; R515-C519 VanDerWaalsContact CA-SG 3.56Å; R515-C519 WeakPolarHBondContact O-CB 3.24Å; R515-C519 PolarHBondContact O-N 3.22Å; R515-C519 PolarHBondContact O-SG 2.81Å; C519-W521 HydrophobicContact CB-CD2 4.41Å; C519-W521 HydrophobicContact CB-CZ2 3.71Å
520	D	94.3	Very high	90.2	Very high	51 Å²	51	54 Å²	54	27%	0.273	28%	0.275	S	S	.	.			trans	-99.2	94	168.1	-178	29	0	0	0	109	Y481 Q489 V518 P548 R550	Y481-D520 WeakPolarHBondContact OH-CB 3.4Å; Y481-D520 PolarHBondContact OH-OD2 3.22Å; Q489-D520 PolarHBondContact NE2-O 3.16Å; V518-D520 PolarHBondContact O-N 2.66Å; V518-D520 VanDerWaalsContact O-N 3.12Å; D520-P548 WeakPolarHBondContact O-CG 3.3Å; D520-R550 IonicContact OD2-CZ 2.7Å; D520-R550 IonicContact OD2-NE 3.14Å; D520-R550 PolarHBondContact OD2-NE 3.32Å; D520-R550 IonicContact OD2-NH2 3.08Å; D520-R550 PolarHBondContact OD2-NH2 2.72Å
521	W	93.1	Very high	90.2	Very high	26 Å²	26	54.2 Å²	54.2	10%	0.098	28%	0.277	C	S	.	.			trans	-73.1	135.7	-178.1	-59.1	100.7	0	0	0	110.5	Q489 C519 T523 G524 R525 E526 P527 I545	Q489-W521 HydrophobicContact CB-CH2 3.76Å; Q489-W521 HydrophobicContact CB-CZ3 3.7Å; Q489-W521 HydrophobicContact CG-CE3 4.13Å; Q489-W521 HydrophobicContact CG-CH2 3.66Å; Q489-W521 HydrophobicContact CG-CZ2 4.25Å; Q489-W521 HydrophobicContact CG-CZ3 3.64Å; Q489-W521 VanDerWaalsContact OE1-CZ3 3.26Å; C519-W521 HydrophobicContact CB-CD2 4.41Å; C519-W521 HydrophobicContact CB-CZ2 3.71Å; W521-T523 PolarHBondContact O-N 2.96Å; W521-T523 VanDerWaalsContact O-N 3.11Å; W521-G524 WeakPolarHBondContact O-CA 3.28Å; W521-G524 PolarHBondContact O-N 2.85Å; W521-R525 WeakPolarHBondContact CB-O 3.16Å; W521-E526 HydrophobicContact CZ2-CB 4.32Å; W521-E526 HydrophobicContact CZ2-CG 3.8Å; W521-P527 VanDerWaalsContact CE3-CD 3.45Å; W521-P527 HydrophobicContact CE3-CG 4.18Å; W521-P527 HydrophobicContact CZ3-CG 3.98Å; W521-I545 HydrophobicContact CE3-CG2 4.47Å; W521-I545 HydrophobicContact CZ3-CD1 4.27Å; W521-I545 HydrophobicContact CZ3-CG2 4.03Å
522	E	91.3	Very high	90.1	Very high	107 Å²	107	54.2 Å²	54.2	50%	0.5	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.4	178.2	-177.9	72.2	-177.5	0	0	112.7	G524 P548	E522-G524 VanDerWaalsContact C-N 3.3Å; E522-G524 PolarHBondContact O-N 3.16Å; E522-P548 VanDerWaalsContact OE2-CB 3.3Å; E522-P548 WeakPolarHBondContact OE2-CB 3.39Å
523	T	89.2	Confident	90.1	Very high	117 Å²	117	53.4 Å²	53.4	72%	0.718	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	3.8	179.4	58.2	0	0	0	0	113.6	W521 R525	W521-T523 PolarHBondContact O-N 2.96Å; W521-T523 VanDerWaalsContact O-N 3.11Å; T523-R525 PolarHBondContact O-N 3.08Å; T523-R525 PolarHBondContact OG1-O 3Å
524	G	88.6	Confident	90	Very high	61 Å²	61	60.3 Å²	60.3	63%	0.629	30%	0.3	S	S	*	.	S	Bend	trans	72	1.6	-175.2	0	0	0	0	0	115	W521 E522	W521-G524 WeakPolarHBondContact O-CA 3.28Å; W521-G524 PolarHBondContact O-N 2.85Å; E522-G524 VanDerWaalsContact C-N 3.3Å; E522-G524 PolarHBondContact O-N 3.16Å
525	R	88.1	Confident	89.8	Confident	196 Å²	196	60.9 Å²	60.9	74%	0.74	31%	0.305	S	S	*	.	S	Bend	trans	-141.4	148.1	-179.4	-60.8	-176.9	-175.6	179.6	1.8	111.4	W521 T523	W521-R525 WeakPolarHBondContact CB-O 3.16Å; T523-R525 PolarHBondContact O-N 3.08Å; T523-R525 PolarHBondContact OG1-O 3Å
526	E	90.2	Very high	89.7	Confident	54 Å²	54	65.8 Å²	65.8	25%	0.252	33%	0.328	S	S	.	.			trans	-64.2	134.8	176.8	-174.2	175	-142.6	0	0	111	R515 W521 H528 L533	R515-E526 IonicContact CZ-OE1 3.78Å; R515-E526 IonicContact NE-OE1 3.99Å; R515-E526 IonicContact NH1-OE1 3.71Å; R515-E526 IonicContact NH2-OE1 3.43Å; R515-E526 PolarHBondContact NH2-OE1 3.17Å; W521-E526 HydrophobicContact CZ2-CB 4.32Å; W521-E526 HydrophobicContact CZ2-CG 3.8Å; E526-H528 PolarHBondContact O-N 2.79Å; E526-L533 HydrophobicContact CG-CD1 4.31Å
527	P	90	Very high	89.7	Confident	24 Å²	24	66.9 Å²	66.9	16%	0.156	33%	0.333	C	S	.	.			trans	-68.4	94.7	179.8	25	-32.9	0	0	0	111.7	W521 N529 D530 I545	W521-P527 VanDerWaalsContact CE3-CD 3.45Å; W521-P527 HydrophobicContact CE3-CG 4.18Å; W521-P527 HydrophobicContact CZ3-CG 3.98Å; P527-N529 WeakPolarHBondContact CB-OD1 3.34Å; P527-N529 PolarHBondContact O-N 3.23Å; P527-N529 VanDerWaalsContact O-N 3.1Å; P527-D530 WeakPolarHBondContact O-CB 3.37Å; P527-D530 PolarHBondContact O-N 3.38Å; P527-D530 VanDerWaalsContact O-N 3.09Å; P527-I545 HydrophobicContact CG-CD1 4.13Å
528	H	84.2	Confident	89.7	Confident	154 Å²	154	68.9 Å²	68.9	71%	0.713	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18	179.1	-64.2	-60.1	0	0	0	114.3	E526 D530	E526-H528 PolarHBondContact O-N 2.79Å; H528-D530 VanDerWaalsContact C-N 3.31Å
529	N	87.4	Confident	89.5	Confident	101 Å²	101	72 Å²	72	54%	0.54	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.5	177.3	61	-27	0	0	0	113.8	P527 P531 R534	P527-N529 WeakPolarHBondContact CB-OD1 3.34Å; P527-N529 PolarHBondContact O-N 3.23Å; P527-N529 VanDerWaalsContact O-N 3.1Å; N529-P531 WeakPolarHBondContact O-CD 3.27Å; N529-R534 PolarHBondContact O-NH2 3.06Å
530	D	88.9	Confident	88.6	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.404	C	S	.	.			trans	-57.6	119.3	179.5	-177.4	3.2	0	0	0	111.7	R493 P527 H528 A532 L533 F543	R493-D530 IonicContact CZ-OD1 3.91Å; R493-D530 IonicContact NE-OD1 3.28Å; R493-D530 PolarHBondContact NE-OD1 3.35Å; R493-D530 IonicContact NE-OD2 2.6Å; R493-D530 PolarHBondContact NE-OD2 3.5Å; R493-D530 IonicContact NH2-OD1 2.79Å; R493-D530 PolarHBondContact NH2-OD1 3.01Å; P527-D530 WeakPolarHBondContact O-CB 3.37Å; P527-D530 PolarHBondContact O-N 3.38Å; P527-D530 VanDerWaalsContact O-N 3.09Å; H528-D530 VanDerWaalsContact C-N 3.31Å; D530-A532 PolarHBondContact O-N 2.86Å; D530-A532 VanDerWaalsContact OD1-CB 3.26Å; D530-A532 WeakPolarHBondContact OD1-CB 2.98Å; D530-A532 PolarHBondContact OD1-N 2.7Å; D530-L533 HydrophobicContact CB-CD1 4.12Å; D530-L533 HydrophobicContact CB-CG 4.16Å; D530-L533 PolarHBondContact O-N 3.33Å; D530-F543 HydrophobicContact CB-CE1 3.96Å; D530-F543 HydrophobicContact CB-CZ 4.15Å
531	P	88.9	Confident	87.5	Confident	8 Å²	8	83.2 Å²	83.2	5%	0.052	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-60.4	-28.7	176.5	24.9	-34.4	0	0	0	112.8	N529 L533 R534 G535 E536 D538 F543	N529-P531 WeakPolarHBondContact O-CD 3.27Å; P531-L533 VanDerWaalsContact C-N 3.29Å; P531-L533 PolarHBondContact O-N 3.08Å; P531-R534 CarbonylContact O-C 3.59Å; P531-R534 PolarHBondContact O-N 3.43Å; P531-G535 PolarHBondContact O-N 3.49Å; P531-E536 CarbonylContact C-O 3.53Å; P531-E536 HydrophobicContact CB-CB 4.14Å; P531-E536 PolarHBondContact O-N 2.89Å; P531-D538 WeakPolarHBondContact CG-OD1 3.41Å; P531-F543 HydrophobicContact CG-CB 4.25Å; P531-F543 HydrophobicContact CG-CD2 4.41Å; P531-F543 HydrophobicContact CG-CG 4.32Å
532	A	89.3	Confident	86.9	Confident	0 Å²	0	84.1 Å²	84.1	0%	0	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-62.8	-35.1	178	0	0	0	0	0	112.3	R493 R497 D530 R534 G535	R493-A532 HydrophobicContact CB-CB 4.16Å; R497-A532 WeakPolarHBondContact CA-O 3.44Å; R497-A532 HydrophobicContact CB-CB 3.88Å; R497-A532 HydrophobicContact CG-CB 4.45Å; D530-A532 PolarHBondContact O-N 2.86Å; D530-A532 VanDerWaalsContact OD1-CB 3.26Å; D530-A532 WeakPolarHBondContact OD1-CB 2.98Å; D530-A532 PolarHBondContact OD1-N 2.7Å; A532-R534 PolarHBondContact O-N 3.19Å; A532-G535 PolarHBondContact O-N 2.68Å; A532-G535 VanDerWaalsContact O-N 3.07Å
533	L	90.1	Very high	86.7	Confident	38 Å²	38	81.1 Å²	81.1	20%	0.199	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-67.6	-17.7	175.3	-72.4	176.3	0	0	0	113.2	L496 I500 E526 D530 P531	L496-L533 HydrophobicContact CD2-CD2 3.8Å; I500-L533 WeakPolarHBondContact CD1-O 3.27Å; E526-L533 HydrophobicContact CG-CD1 4.31Å; D530-L533 HydrophobicContact CB-CD1 4.12Å; D530-L533 HydrophobicContact CB-CG 4.16Å; D530-L533 PolarHBondContact O-N 3.33Å; P531-L533 VanDerWaalsContact C-N 3.29Å; P531-L533 PolarHBondContact O-N 3.08Å
534	R	88.1	Confident	86.6	Confident	150 Å²	150	82.5 Å²	82.5	57%	0.566	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-98.7	-2.2	173.4	-67.6	179.9	-79.3	173.3	-3.8	113.2	N529 P531 A532 E536	N529-R534 PolarHBondContact O-NH2 3.06Å; P531-R534 CarbonylContact O-C 3.59Å; P531-R534 PolarHBondContact O-N 3.43Å; A532-R534 PolarHBondContact O-N 3.19Å; R534-E536 VanDerWaalsContact C-N 3.31Å; R534-E536 HydrophobicContact CB-CG 4.38Å
535	G	86.5	Confident	86.7	Confident	11 Å²	11	80.5 Å²	80.5	11%	0.113	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	10.6	-176	0	0	0	0	0	114.3	P531 A532	P531-G535 PolarHBondContact O-N 3.49Å; A532-G535 PolarHBondContact O-N 2.68Å; A532-G535 VanDerWaalsContact O-N 3.07Å
536	E	90.1	Very high	86.8	Confident	109 Å²	109	78.5 Å²	78.5	51%	0.509	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-93.6	156.6	-179.3	-64.2	178.1	-177.4	0	0	111.3	R497 P531 R534	R497-E536 WeakPolarHBondContact CD-O 3.46Å; R497-E536 WeakPolarHBondContact CG-O 3.45Å; P531-E536 CarbonylContact C-O 3.53Å; P531-E536 HydrophobicContact CB-CB 4.14Å; P531-E536 PolarHBondContact O-N 2.89Å; R534-E536 VanDerWaalsContact C-N 3.31Å; R534-E536 HydrophobicContact CB-CG 4.38Å
537	K	89.4	Confident	87	Confident	160 Å²	160	76.8 Å²	76.8	70%	0.696	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-78.2	157.9	173.9	-73.9	-170.4	174.8	-170.7	0	110.6
538	D	89.5	Confident	87.2	Confident	50 Å²	50	76 Å²	76	27%	0.267	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.4	147.6	173.3	-66.8	-3.8	0	0	0	110.9	R493 P531 F543	R493-D538 IonicContact CZ-OD1 2.83Å; R493-D538 IonicContact CZ-OD2 3.89Å; R493-D538 IonicContact NH1-OD1 3.92Å; R493-D538 IonicContact NH1-OD2 3.68Å; R493-D538 PolarHBondContact NH1-OD2 3.11Å; R493-D538 IonicContact NH2-OD1 3.28Å; R493-D538 PolarHBondContact NH2-OD1 3.4Å; R493-D538 IonicContact NH2-OD2 3.93Å; R493-D538 PolarHBondContact NH2-OD2 3.21Å; P531-D538 WeakPolarHBondContact CG-OD1 3.41Å; D538-F543 HydrophobicContact CB-CB 4.35Å
539	P	87.9	Confident	87.6	Confident	75 Å²	75	72.5 Å²	72.5	49%	0.487	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-63.4	166.1	177.7	28.5	-34.8	0	0	0	110.9	G541 G542	P539-G541 PolarHBondContact O-N 2.9Å; P539-G542 WeakPolarHBondContact CG-O 3.32Å; P539-G542 PolarHBondContact O-N 3.28Å
540	K	74.6	Confident	87.8	Confident	225 Å²	225	73.7 Å²	73.7	98%	0.978	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.4	-177.6	-71.7	-173.9	178.4	-179	0	114.4
541	G	72.3	Confident	87.9	Confident	82 Å²	82	75.7 Å²	75.7	85%	0.845	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	5	174.5	0	0	0	0	0	115.6	P539	P539-G541 PolarHBondContact O-N 2.9Å
542	G	79.9	Confident	88	Confident	45 Å²	45	79 Å²	79	46%	0.464	41%	0.41	S	S	.	.			trans	80.7	163.3	-175.4	0	0	0	0	0	114.1	P539	P539-G542 WeakPolarHBondContact CG-O 3.32Å; P539-G542 PolarHBondContact O-N 3.28Å
543	F	87.9	Confident	88.1	Confident	44 Å²	44	79.9 Å²	79.9	19%	0.193	42%	0.42	C	S	.	.			trans	-118.2	112.9	167.9	-174.9	-91.3	0	0	0	108	D530 P531 D538 I545	D530-F543 HydrophobicContact CB-CE1 3.96Å; D530-F543 HydrophobicContact CB-CZ 4.15Å; P531-F543 HydrophobicContact CG-CB 4.25Å; P531-F543 HydrophobicContact CG-CD2 4.41Å; P531-F543 HydrophobicContact CG-CG 4.32Å; D538-F543 HydrophobicContact CB-CB 4.35Å; F543-I545 HydrophobicContact CD1-CD1 4.44Å; F543-I545 HydrophobicContact CD1-CG1 4.03Å; F543-I545 HydrophobicContact CE1-CD1 4.08Å; F543-I545 HydrophobicContact CE1-CG1 3.77Å
544	D	86.6	Confident	88.2	Confident	145 Å²	145	78.9 Å²	78.9	78%	0.775	42%	0.415	S	S	*	.			trans	-97.8	138.6	-173.9	-170.8	26.8	0	0	0	111.7
545	I	90.8	Very high	88.2	Confident	20 Å²	20	73.4 Å²	73.4	10%	0.103	40%	0.4	C	S	.	.			trans	-125.1	114.3	175.2	-59.5	-175.5	0	0	0	107.2	W521 P527 F543 V547	W521-I545 HydrophobicContact CE3-CG2 4.47Å; W521-I545 HydrophobicContact CZ3-CD1 4.27Å; W521-I545 HydrophobicContact CZ3-CG2 4.03Å; P527-I545 HydrophobicContact CG-CD1 4.13Å; F543-I545 HydrophobicContact CD1-CD1 4.44Å; F543-I545 HydrophobicContact CD1-CG1 4.03Å; F543-I545 HydrophobicContact CE1-CD1 4.08Å; F543-I545 HydrophobicContact CE1-CG1 3.77Å; I545-V547 HydrophobicContact CG2-CG2 4.48Å; I545-V547 PolarHBondContact O-N 2.91Å
546	K	90.8	Very high	88.3	Confident	154 Å²	154	74 Å²	74	67%	0.67	40%	0.403	S	S	*	.			trans	-75.6	113.1	171.5	-173	-178.4	177.8	-168.1	0	109.6
547	V	94	Very high	88.1	Confident	17 Å²	17	68.9 Å²	68.9	10%	0.103	38%	0.379	C	S	.	.			trans	-89.2	132.7	178.2	-177.5	0	0	0	0	109.8	Q485 D486 Q489 I490 I545	Q485-V547 HydrophobicContact CB-CG1 3.37Å; Q485-V547 HydrophobicContact CG-CG1 4.41Å; D486-V547 WeakPolarHBondContact OD1-CG1 3.14Å; Q489-V547 HydrophobicContact CB-CG2 4.19Å; I490-V547 HydrophobicContact CD1-CG2 3.57Å; I490-V547 HydrophobicContact CG1-CG2 3.81Å; I545-V547 HydrophobicContact CG2-CG2 4.48Å; I545-V547 PolarHBondContact O-N 2.91Å
548	P	93.6	Very high	88.1	Confident	8 Å²	8	63.5 Å²	63.5	5%	0.052	36%	0.356	C	S	.	.			trans	-62.8	161.5	175.3	19	-27.9	0	0	0	112.5	Y481 D520 E522	Y481-P548 HydrophobicContact CE1-CB 4.38Å; Y481-P548 HydrophobicContact CE1-CG 4.35Å; Y481-P548 WeakPolarHBondContact CE1-O 3.37Å; Y481-P548 WeakPolarHBondContact OH-CG 3.36Å; D520-P548 WeakPolarHBondContact O-CG 3.3Å; E522-P548 VanDerWaalsContact OE2-CB 3.3Å; E522-P548 WeakPolarHBondContact OE2-CB 3.39Å
549	R	92.9	Very high	88.3	Confident	81 Å²	81	61.4 Å²	61.4	31%	0.306	35%	0.345	S	S	.	.			trans	-123.1	119	170	-65.4	-62.9	-177.9	-123.3	12	109.2	D384 S482 D486	D384-R549 IonicContact OD1-NE 3.81Å; D384-R549 PolarHBondContact OD1-NE 3.31Å; D384-R549 IonicContact OD2-CZ 2.88Å; D384-R549 VanDerWaalsContact OD2-CZ 3.25Å; D384-R549 IonicContact OD2-NE 3.2Å; D384-R549 PolarHBondContact OD2-NE 3.35Å; D384-R549 IonicContact OD2-NH2 3.54Å; D384-R549 PolarHBondContact OD2-NH2 3.39Å; S482-R549 WeakPolarHBondContact OG-CD 3.44Å; S482-R549 PolarHBondContact OG-NE 3.08Å; D486-R549 IonicContact OD1-CZ 2.66Å; D486-R549 IonicContact OD1-NH1 3.62Å; D486-R549 PolarHBondContact OD1-NH1 3.32Å; D486-R549 IonicContact OD1-NH2 2.84Å; D486-R549 PolarHBondContact OD1-NH2 3.11Å; D486-R549 IonicContact OD2-CZ 2.8Å; D486-R549 IonicContact OD2-NH1 3.63Å; D486-R549 IonicContact OD2-NH2 3.18Å; D486-R549 PolarHBondContact OD2-NH2 3.42Å
550	R	92	Very high	88.3	Confident	125 Å²	125	58.8 Å²	58.8	47%	0.472	33%	0.326	S	S	.	.			trans	-132.5	146.9	-179.7	-62.4	-172.2	-176.4	-86	3.8	110.4	H478 Y481 D520 V552	H478-R550 WeakPolarHBondContact CA-O 3.35Å; Y481-R550 WeakPolarHBondContact CB-O 3.4Å; Y481-R550 HydrophobicContact CD1-CB 3.91Å; Y481-R550 HydrophobicContact CD1-CG 4.5Å; Y481-R550 HydrophobicContact CD2-CB 4.07Å; Y481-R550 HydrophobicContact CE1-CB 3.77Å; Y481-R550 HydrophobicContact CE1-CG 3.86Å; Y481-R550 HydrophobicContact CE2-CB 3.94Å; Y481-R550 HydrophobicContact CE2-CG 4.17Å; Y481-R550 HydrophobicContact CG-CB 4.05Å; Y481-R550 WeakPolarHBondContact OH-CD 3.24Å; D520-R550 IonicContact OD2-CZ 2.7Å; D520-R550 IonicContact OD2-NE 3.14Å; D520-R550 PolarHBondContact OD2-NE 3.32Å; D520-R550 IonicContact OD2-NH2 3.08Å; D520-R550 PolarHBondContact OD2-NH2 2.72Å; R550-V552 VanDerWaalsContact C-N 3.28Å; R550-V552 HydrophobicContact CB-CG1 4.06Å; R550-V552 PolarHBondContact O-N 3.5Å
551	A	90.9	Very high	88.9	Confident	42 Å²	42	48.6 Å²	48.6	35%	0.347	28%	0.281	S	S	.	.	S	Bend	trans	-90.7	52.4	176	0	0	0	0	0	112	H474	H474-A551 WeakPolarHBondContact CE1-CB 2.99Å
552	V	91.2	Very high	89.9	Confident	77 Å²	77	44.7 Å²	44.7	47%	0.467	24%	0.241	S	C	.	.			trans	-142.1	131.1	178.2	67	0	0	0	0	111.3	Y481 R550	Y481-V552 WeakPolarHBondContact CB-O 3.41Å; Y481-V552 HydrophobicContact CD2-CG1 4.29Å; Y481-V552 WeakPolarHBondContact CD2-O 3.2Å; R550-V552 VanDerWaalsContact C-N 3.28Å; R550-V552 HydrophobicContact CB-CG1 4.06Å; R550-V552 PolarHBondContact O-N 3.5Å
553	G	90.4	Very high	90.5	Very high	20 Å²	20	44.3 Å²	44.3	21%	0.206	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.2	165.4	175.2	0	0	0	0	0	112.9
554	P	91.9	Very high	90.6	Very high	16 Å²	16	42.4 Å²	42.4	10%	0.104	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.5	156.2	167.4	30.6	-36.1	0	0	0	110.9	I480 L484 Q558 L559	I480-P554 VanDerWaalsContact CG2-CD 3.49Å; I480-P554 HydrophobicContact CG2-CG 4.23Å; L484-P554 HydrophobicContact CD2-CB 3.76Å; L484-P554 HydrophobicContact CD2-CG 3.97Å; P554-Q558 HydrophobicContact CB-CB 3.99Å; P554-L559 HydrophobicContact CB-CB 4.45Å; P554-L559 HydrophobicContact CG-CB 4.05Å; P554-L559 HydrophobicContact CG-CD1 4.37Å
555	S	89.5	Confident	90.8	Very high	36 Å²	36	35.7 Å²	35.7	25%	0.252	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-62.4	158	165.4	60.8	0	0	0	0	111.3	T557 Q558 L559	S555-T557 PolarHBondContact O-N 2.78Å; S555-Q558 PolarHBondContact O-N 3.21Å; S555-Q558 WeakPolarHBondContact OG-CB 3.39Å; S555-Q558 WeakPolarHBondContact OG-CG 3.28Å; S555-Q558 PolarHBondContact OG-N 3.12Å; S555-Q558 PolarHBondContact OG-OE1 2.65Å; S555-L559 PolarHBondContact O-N 3.16Å
556	S	87.2	Confident	90.9	Very high	24 Å²	24	34.7 Å²	34.7	17%	0.168	18%	0.177	C	C	.	.	H	α-helix	trans	-54	-41.1	175.6	60.6	0	0	0	0	112	T44 Y560	T44-S556 PolarHBondContact OG1-OG 2.94Å; S556-Y560 VanDerWaalsContact O-CB 3.32Å; S556-Y560 WeakPolarHBondContact O-CB 3.43Å; S556-Y560 PolarHBondContact O-N 3.14Å
557	T	87.1	Confident	91	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-47.3	176	-57.8	0	0	0	0	112.9	F46 D48 R49 F52 S555 L559 Y560 M561	F46-T557 WeakPolarHBondContact CA-OG1 3.31Å; D48-T557 VanDerWaalsContact OD1-CB 3.31Å; D48-T557 WeakPolarHBondContact OD1-CB 3.45Å; D48-T557 PolarHBondContact OD1-OG1 3.18Å; R49-T557 HydrophobicContact CB-CG2 4.24Å; F52-T557 HydrophobicContact CD2-CG2 3.65Å; F52-T557 HydrophobicContact CE2-CG2 3.79Å; S555-T557 PolarHBondContact O-N 2.78Å; T557-L559 VanDerWaalsContact C-N 3.34Å; T557-L559 PolarHBondContact O-N 3.14Å; T557-Y560 PolarHBondContact O-N 3.32Å; T557-M561 HydrophobicContact CG2-CG 4.16Å; T557-M561 VanDerWaalsContact O-CB 3.29Å; T557-M561 WeakPolarHBondContact O-CB 3.38Å; T557-M561 WeakPolarHBondContact O-CG 3.29Å; T557-M561 PolarHBondContact O-N 3.47Å
558	Q	89.8	Confident	90.7	Very high	47 Å²	47	27.6 Å²	27.6	22%	0.22	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-48.3	176.7	-79.9	171.8	-46.4	0	0	111.2	F52 T517 V518 P554 S555 M561 V562	F52-Q558 HydrophobicContact CD1-CG 4.48Å; F52-Q558 HydrophobicContact CE1-CG 3.67Å; F52-Q558 HydrophobicContact CE2-CG 4.36Å; F52-Q558 HydrophobicContact CZ-CG 3.6Å; T517-Q558 HydrophobicContact CG2-CG 4.16Å; T517-Q558 PolarHBondContact O-NE2 3.09Å; T517-Q558 VanDerWaalsContact O-NE2 3.09Å; V518-Q558 HydrophobicContact CG1-CB 3.85Å; V518-Q558 HydrophobicContact CG1-CG 4.08Å; P554-Q558 HydrophobicContact CB-CB 3.99Å; S555-Q558 PolarHBondContact O-N 3.21Å; S555-Q558 WeakPolarHBondContact OG-CB 3.39Å; S555-Q558 WeakPolarHBondContact OG-CG 3.28Å; S555-Q558 PolarHBondContact OG-N 3.12Å; S555-Q558 PolarHBondContact OG-OE1 2.65Å; Q558-M561 PolarHBondContact O-N 2.95Å; Q558-V562 WeakPolarHBondContact O-CB 3.37Å; Q558-V562 VanDerWaalsContact O-CG2 3.28Å; Q558-V562 WeakPolarHBondContact O-CG2 3.45Å; Q558-V562 PolarHBondContact O-N 2.81Å
559	L	91.9	Very high	90.5	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-44.4	-179.1	-174.8	59.9	0	0	0	111.6	P554 S555 T557 R563 Y602	P554-L559 HydrophobicContact CB-CB 4.45Å; P554-L559 HydrophobicContact CG-CB 4.05Å; P554-L559 HydrophobicContact CG-CD1 4.37Å; S555-L559 PolarHBondContact O-N 3.16Å; T557-L559 VanDerWaalsContact C-N 3.34Å; T557-L559 PolarHBondContact O-N 3.14Å; L559-R563 HydrophobicContact CD1-CG 4.13Å; L559-R563 HydrophobicContact CG-CG 4.48Å; L559-R563 WeakPolarHBondContact O-CB 3.22Å; L559-R563 VanDerWaalsContact O-CG 3.23Å; L559-R563 WeakPolarHBondContact O-CG 3.5Å; L559-R563 PolarHBondContact O-N 2.98Å; L559-Y602 HydrophobicContact CD1-CD2 4.2Å
560	Y	89.1	Confident	90.4	Very high	21 Å²	21	24.3 Å²	24.3	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-46.4	176.3	176.4	-94.5	0	0	0	112.3	F46 A63 H66 A156 S556 T557 R563 T564	F46-Y560 HydrophobicContact CD1-CD1 4.36Å; F46-Y560 HydrophobicContact CD1-CG 4.28Å; F46-Y560 AromaticContact CE1-CD1 3.94Å; F46-Y560 HydrophobicContact CE1-CD1 3.94Å; F46-Y560 AromaticContact CE1-CD2 3.9Å; F46-Y560 HydrophobicContact CE1-CD2 3.9Å; F46-Y560 AromaticContact CE1-CG 3.46Å; F46-Y560 HydrophobicContact CE1-CG 3.46Å; F46-Y560 VanDerWaalsContact CE1-CG 3.46Å; F46-Y560 HydrophobicContact CE2-CD2 4.43Å; F46-Y560 HydrophobicContact CE2-CE2 4.5Å; F46-Y560 HydrophobicContact CZ-CD1 4.12Å; F46-Y560 AromaticContact CZ-CD2 3.55Å; F46-Y560 HydrophobicContact CZ-CD2 3.55Å; F46-Y560 HydrophobicContact CZ-CE2 4.02Å; F46-Y560 AromaticContact CZ-CG 3.6Å; F46-Y560 HydrophobicContact CZ-CG 3.6Å; A63-Y560 HydrophobicContact CB-CD1 4.38Å; A63-Y560 HydrophobicContact CB-CE1 3.78Å; H66-Y560 AromaticContact CE1-CE2 3.98Å; H66-Y560 AromaticContact ND1-CE2 3.58Å; H66-Y560 AromaticContact ND1-CZ 3.7Å; H66-Y560 PolarHBondContact ND1-OH 2.89Å; A156-Y560 HydrophobicContact CB-CE2 4.2Å; S556-Y560 VanDerWaalsContact O-CB 3.32Å; S556-Y560 WeakPolarHBondContact O-CB 3.43Å; S556-Y560 PolarHBondContact O-N 3.14Å; T557-Y560 PolarHBondContact O-N 3.32Å; Y560-R563 PolarHBondContact O-N 3.44Å; Y560-T564 VanDerWaalsContact O-CB 3.24Å; Y560-T564 WeakPolarHBondContact O-CB 3.41Å; Y560-T564 PolarHBondContact O-N 3.35Å; Y560-T564 PolarHBondContact O-OG1 3.11Å
561	M	87.9	Confident	90.1	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.049	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-46	-179.3	-71.6	-65.1	-71.5	0	0	111.2	I60 T517 T557 Q558 M565	I60-M561 HydrophobicContact CG1-CE 4.08Å; T517-M561 HydrophobicContact CG2-CB 4.46Å; T557-M561 HydrophobicContact CG2-CG 4.16Å; T557-M561 VanDerWaalsContact O-CB 3.29Å; T557-M561 WeakPolarHBondContact O-CB 3.38Å; T557-M561 WeakPolarHBondContact O-CG 3.29Å; T557-M561 PolarHBondContact O-N 3.47Å; Q558-M561 PolarHBondContact O-N 2.95Å; M561-M565 HydrophobicContact CB-CE 4.14Å; M561-M565 VanDerWaalsContact O-CB 3.3Å; M561-M565 WeakPolarHBondContact O-CB 3.29Å; M561-M565 WeakPolarHBondContact O-CE 3.24Å; M561-M565 VanDerWaalsContact O-CG 3.28Å; M561-M565 WeakPolarHBondContact O-CG 3.49Å; M561-M565 PolarHBondContact O-N 2.78Å
562	V	92.1	Very high	89.1	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-50.8	176.7	170	0	0	0	0	110.8	L484 I514 V518 Q558 T564 M565 L566 F595	L484-V562 HydrophobicContact CD1-CG1 4.3Å; I514-V562 HydrophobicContact CG2-CG1 4.21Å; I514-V562 HydrophobicContact CG2-CG2 4.19Å; V518-V562 HydrophobicContact CB-CG2 4.3Å; V518-V562 HydrophobicContact CG1-CG2 3.43Å; V518-V562 VanDerWaalsContact CG1-CG2 3.43Å; V518-V562 HydrophobicContact CG2-CG2 3.87Å; Q558-V562 WeakPolarHBondContact O-CB 3.37Å; Q558-V562 VanDerWaalsContact O-CG2 3.28Å; Q558-V562 WeakPolarHBondContact O-CG2 3.45Å; Q558-V562 PolarHBondContact O-N 2.81Å; V562-T564 PolarHBondContact O-N 3.37Å; V562-M565 PolarHBondContact O-N 3.36Å; V562-L566 HydrophobicContact CG1-CD1 3.71Å; V562-L566 HydrophobicContact CG1-CG 4.31Å; V562-L566 WeakPolarHBondContact O-CB 3.49Å; V562-L566 VanDerWaalsContact O-CG 3.24Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 3.3Å; V562-F595 HydrophobicContact CG1-CE1 4.19Å
563	R	93	Very high	87.7	Confident	36 Å²	36	24 Å²	24	14%	0.136	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-49.1	-179.8	-72.1	175.8	56.9	69	8.2	111.6	L559 Y560 M565 L566 E567 H596 S599 F600	L559-R563 HydrophobicContact CD1-CG 4.13Å; L559-R563 HydrophobicContact CG-CG 4.48Å; L559-R563 WeakPolarHBondContact O-CB 3.22Å; L559-R563 VanDerWaalsContact O-CG 3.23Å; L559-R563 WeakPolarHBondContact O-CG 3.5Å; L559-R563 PolarHBondContact O-N 2.98Å; Y560-R563 PolarHBondContact O-N 3.44Å; R563-M565 VanDerWaalsContact C-N 3.35Å; R563-M565 PolarHBondContact O-N 3.26Å; R563-L566 PolarHBondContact O-N 3.1Å; R563-E567 VanDerWaalsContact O-CB 3.29Å; R563-E567 WeakPolarHBondContact O-CB 3.27Å; R563-E567 PolarHBondContact O-N 3.22Å; R563-H596 PolarHBondContact NH1-O 3.33Å; R563-H596 PolarHBondContact NH2-NE2 3.13Å; R563-S599 PolarHBondContact NH1-O 2.84Å; R563-S599 PolarHBondContact NH1-OG 3.47Å; R563-F600 VanDerWaalsContact NH1-N 3.14Å
564	T	90.4	Very high	85.9	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.025	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-40.7	-179.7	-56.9	0	0	0	0	112.2	Y59 F152 Y560 V562 S568	Y59-T564 HydrophobicContact CD1-CG2 3.88Å; Y59-T564 HydrophobicContact CE1-CG2 4.23Å; F152-T564 HydrophobicContact CE1-CG2 4.17Å; Y560-T564 VanDerWaalsContact O-CB 3.24Å; Y560-T564 WeakPolarHBondContact O-CB 3.41Å; Y560-T564 PolarHBondContact O-N 3.35Å; Y560-T564 PolarHBondContact O-OG1 3.11Å; V562-T564 PolarHBondContact O-N 3.37Å; T564-S568 PolarHBondContact O-N 3.37Å; T564-S568 VanDerWaalsContact O-N 3.12Å
565	M	90.3	Very high	83.9	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-41.2	176.8	-76.4	-170.4	-75.6	0	0	112	Y59 V510 A513 I514 M561 V562 R563 S568 L569	Y59-M565 HydrophobicContact CD2-CG 3.8Å; Y59-M565 HydrophobicContact CD2-SD 4.36Å; Y59-M565 HydrophobicContact CE2-CG 3.74Å; Y59-M565 HydrophobicContact CE2-SD 4.47Å; Y59-M565 HydrophobicContact CG-CG 4.41Å; V510-M565 HydrophobicContact CG1-CB 3.89Å; V510-M565 HydrophobicContact CG1-CG 4.38Å; A513-M565 HydrophobicContact CB-CE 4.49Å; A513-M565 HydrophobicContact CB-SD 3.74Å; I514-M565 HydrophobicContact CB-CE 4.46Å; I514-M565 HydrophobicContact CD1-CB 3.85Å; I514-M565 HydrophobicContact CG1-CB 3.74Å; I514-M565 HydrophobicContact CG1-CE 3.7Å; I514-M565 HydrophobicContact CG1-CG 4.48Å; I514-M565 HydrophobicContact CG1-SD 4Å; M561-M565 HydrophobicContact CB-CE 4.14Å; M561-M565 VanDerWaalsContact O-CB 3.3Å; M561-M565 WeakPolarHBondContact O-CB 3.29Å; M561-M565 WeakPolarHBondContact O-CE 3.24Å; M561-M565 VanDerWaalsContact O-CG 3.28Å; M561-M565 WeakPolarHBondContact O-CG 3.49Å; M561-M565 PolarHBondContact O-N 2.78Å; V562-M565 PolarHBondContact O-N 3.36Å; R563-M565 VanDerWaalsContact C-N 3.35Å; R563-M565 PolarHBondContact O-N 3.26Å; M565-S568 PolarHBondContact O-N 3.34Å; M565-S568 PolarHBondContact O-OG 3.04Å; M565-L569 PolarHBondContact O-N 3.09Å
566	L	92.8	Very high	82.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-43.5	175.4	-71.8	174	0	0	0	111.7	F487 I514 V562 R563 S568 L569 I570 I592 F595	F487-L566 HydrophobicContact CE1-CD1 3.59Å; F487-L566 HydrophobicContact CE1-CD2 3.77Å; F487-L566 HydrophobicContact CE1-CG 4.32Å; F487-L566 HydrophobicContact CZ-CD1 3.99Å; F487-L566 HydrophobicContact CZ-CD2 3.86Å; I514-L566 HydrophobicContact CD1-CD2 3.57Å; I514-L566 HydrophobicContact CD1-CG 3.87Å; V562-L566 HydrophobicContact CG1-CD1 3.71Å; V562-L566 HydrophobicContact CG1-CG 4.31Å; V562-L566 WeakPolarHBondContact O-CB 3.49Å; V562-L566 VanDerWaalsContact O-CG 3.24Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 3.3Å; R563-L566 PolarHBondContact O-N 3.1Å; L566-S568 VanDerWaalsContact C-N 3.26Å; L566-S568 PolarHBondContact O-N 3.4Å; L566-L569 HydrophobicContact CD2-CD1 4.38Å; L566-L569 WeakPolarHBondContact O-CB 3.19Å; L566-L569 PolarHBondContact O-N 3.36Å; L566-I570 PolarHBondContact O-N 3.27Å; L566-I592 HydrophobicContact CB-CG2 3.93Å; L566-I592 HydrophobicContact CD2-CG1 4.34Å; L566-I592 HydrophobicContact CD2-CG2 3.91Å; L566-I592 HydrophobicContact CG-CG2 4.4Å; L566-F595 HydrophobicContact CD1-CD1 3.64Å; L566-F595 HydrophobicContact CD1-CE1 3.98Å
567	E	92.1	Very high	80.7	Confident	13 Å²	13	37.1 Å²	37.1	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-55.9	-42.5	175.7	-163.5	-164.8	133.7	0	0	110.9	F152 S154 E155 R563 L569 I570 A571	F152-E567 HydrophobicContact CE2-CB 4.22Å; F152-E567 HydrophobicContact CE2-CG 3.81Å; F152-E567 VanDerWaalsContact CE2-OE1 3.24Å; F152-E567 WeakPolarHBondContact CE2-OE1 3.15Å; F152-E567 HydrophobicContact CZ-CB 3.84Å; F152-E567 HydrophobicContact CZ-CG 3.79Å; F152-E567 VanDerWaalsContact CZ-OE1 3.26Å; F152-E567 WeakPolarHBondContact CZ-OE1 3.31Å; S154-E567 VanDerWaalsContact CA-OE1 3.29Å; S154-E567 WeakPolarHBondContact CA-OE1 3.23Å; E155-E567 VanDerWaalsContact CG-OE1 3.32Å; E155-E567 WeakPolarHBondContact CG-OE1 3.44Å; E155-E567 PolarHBondContact N-OE1 3.3Å; E155-E567 PolarHBondContact N-OE2 3.31Å; R563-E567 VanDerWaalsContact O-CB 3.29Å; R563-E567 WeakPolarHBondContact O-CB 3.27Å; R563-E567 PolarHBondContact O-N 3.22Å; E567-L569 PolarHBondContact O-N 3.02Å; E567-I570 WeakPolarHBondContact O-CG1 3.18Å; E567-I570 PolarHBondContact O-N 3.15Å; E567-A571 WeakPolarHBondContact O-CB 3.49Å; E567-A571 PolarHBondContact O-N 3.44Å
568	S	89.1	Confident	79.8	Confident	8 Å²	8	44.1 Å²	44.1	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-28.9	176.4	82.4	0	0	0	0	114	Y59 T564 M565 L566	Y59-S568 WeakPolarHBondContact OH-CB 3.3Å; Y59-S568 PolarHBondContact OH-OG 3.45Å; T564-S568 PolarHBondContact O-N 3.37Å; T564-S568 VanDerWaalsContact O-N 3.12Å; M565-S568 PolarHBondContact O-N 3.34Å; M565-S568 PolarHBondContact O-OG 3.04Å; L566-S568 VanDerWaalsContact C-N 3.26Å; L566-S568 PolarHBondContact O-N 3.4Å
569	L	89.5	Confident	79.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-75.9	-33.1	178.9	-69.6	172.8	0	0	0	112	I507 V510 L511 I514 M565 L566 E567 L580 R581 L584 I592	I507-L569 HydrophobicContact CG1-CD2 4.26Å; I507-L569 HydrophobicContact CG2-CD2 4.22Å; V510-L569 HydrophobicContact CB-CD2 4.19Å; V510-L569 HydrophobicContact CG1-CD1 4.01Å; V510-L569 HydrophobicContact CG1-CD2 4.08Å; V510-L569 HydrophobicContact CG1-CG 3.95Å; L511-L569 HydrophobicContact CD2-CD1 3.69Å; L511-L569 HydrophobicContact CG-CD1 4.29Å; I514-L569 HydrophobicContact CD1-CD1 4.46Å; M565-L569 PolarHBondContact O-N 3.09Å; L566-L569 HydrophobicContact CD2-CD1 4.38Å; L566-L569 WeakPolarHBondContact O-CB 3.19Å; L566-L569 PolarHBondContact O-N 3.36Å; E567-L569 PolarHBondContact O-N 3.02Å; L569-L580 HydrophobicContact CD2-CB 4.49Å; L569-L580 HydrophobicContact CD2-CD1 4.33Å; L569-L580 CarbonylContact O-C 3.56Å; L569-R581 VanDerWaalsContact O-CA 3.25Å; L569-R581 WeakPolarHBondContact O-CA 3.4Å; L569-R581 PolarHBondContact O-N 3.31Å; L569-L584 HydrophobicContact CB-CD1 4.1Å; L569-I592 HydrophobicContact CD1-CD1 4.39Å
570	I	90.6	Very high	79	Confident	21 Å²	21	45.2 Å²	45.2	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-97.4	-4.4	-178.3	60.1	172.1	0	0	0	113.5	L566 E567 R581 I589 I592 E593 H596	L566-I570 PolarHBondContact O-N 3.27Å; E567-I570 WeakPolarHBondContact O-CG1 3.18Å; E567-I570 PolarHBondContact O-N 3.15Å; I570-R581 WeakPolarHBondContact O-CD 3.3Å; I570-R581 PolarHBondContact O-NH1 3.45Å; I570-I589 HydrophobicContact CG2-CG2 4.37Å; I570-I592 HydrophobicContact CD1-CG2 4.37Å; I570-I592 HydrophobicContact CG2-CB 3.89Å; I570-I592 HydrophobicContact CG2-CD1 4.47Å; I570-I592 HydrophobicContact CG2-CG2 3.51Å; I570-E593 HydrophobicContact CD1-CG 3.9Å; I570-E593 HydrophobicContact CG2-CG 4.31Å; I570-H596 HydrophobicContact CD1-CB 4.47Å
571	A	85.6	Confident	78.8	Confident	21 Å²	21	47.3 Å²	47.3	17%	0.174	25%	0.245	C	C	.	.			trans	-67.3	139.9	179.1	0	0	0	0	0	113.6	F152 E567 K573	F152-A571 HydrophobicContact CD2-CB 3.58Å; F152-A571 HydrophobicContact CE2-CB 3.97Å; E567-A571 WeakPolarHBondContact O-CB 3.49Å; E567-A571 PolarHBondContact O-N 3.44Å; A571-K573 VanDerWaalsContact C-N 3.35Å
572	D	69.4	Low	78.6	Confident	124 Å²	124	50.3 Å²	50.3	66%	0.663	27%	0.267	S	S	*	.	S	Bend	trans	-84.3	-6.8	177.4	-72	-37.6	0	0	0	113.8	T579 R581	D572-T579 VanDerWaalsContact O-CG2 3.29Å; D572-T579 WeakPolarHBondContact O-CG2 3.21Å; D572-R581 WeakPolarHBondContact OD1-CD 3.43Å; D572-R581 IonicContact OD1-NE 3.71Å
573	K	62.3	Low	78.1	Confident	92 Å²	92	51.9 Å²	51.9	40%	0.4	28%	0.278	S	S	.	.			trans	-107.4	128.9	176.8	-63.5	-172.5	-173.4	-176.4	0	111	D240 A571	D240-K573 IonicContact OD1-NZ 2.71Å; D240-K573 PolarHBondContact OD1-NZ 2.8Å; D240-K573 IonicContact OD2-NZ 3.18Å; D240-K573 PolarHBondContact OD2-NZ 3.32Å; A571-K573 VanDerWaalsContact C-N 3.35Å
574	S	52.3	Low	77.8	Confident	27 Å²	27	51.2 Å²	51.2	19%	0.189	28%	0.277	C	S	.	.			trans	-147.8	146.8	170.8	77.8	0	0	0	0	111	K150 S576 K578 T579	K150-S574 CarbonylContact O-C 3.6Å; K150-S574 VanDerWaalsContact O-CA 3.29Å; K150-S574 WeakPolarHBondContact O-CA 3.41Å; K150-S574 PolarHBondContact O-N 3.22Å; S574-S576 PolarHBondContact O-N 3.43Å; S574-S576 PolarHBondContact OG-O 3Å; S574-S576 VanDerWaalsContact OG-O 3.1Å; S574-S576 PolarHBondContact OG-OG 3.38Å; S574-K578 PolarHBondContact OG-O 3.02Å; S574-T579 WeakPolarHBondContact OG-CA 3.25Å
575	G	49.5	Very low	77.4	Confident	41 Å²	41	54.8 Å²	54.8	42%	0.423	29%	0.293	S	S	.	.	S	Bend	trans	-59.6	-6.2	176.2	0	0	0	0	0	115.5	K150	K150-G575 PolarHBondContact O-N 3.3Å
576	S	55.1	Low	77	Confident	77 Å²	77	56.9 Å²	56.9	54%	0.538	32%	0.316	S	S	.	.	S	Bend	trans	-111.7	158.6	-179.4	47.7	0	0	0	0	114.1	S574 K578	S574-S576 PolarHBondContact O-N 3.43Å; S574-S576 PolarHBondContact OG-O 3Å; S574-S576 VanDerWaalsContact OG-O 3.1Å; S574-S576 PolarHBondContact OG-OG 3.38Å; S576-K578 PolarHBondContact O-N 2.92Å; S576-K578 PolarHBondContact OG-O 3.36Å
577	K	54	Low	76.8	Confident	226 Å²	226	61 Å²	61	98%	0.983	34%	0.343	S	S	*	.	S	Bend	trans	-57.7	-13.9	173.9	-83.6	-172.9	179.7	-179.1	0	114.9
578	K	69.4	Low	76.6	Confident	149 Å²	149	60.9 Å²	60.9	65%	0.648	34%	0.343	S	S	*	.	S	Bend	trans	-127.3	128.8	174.4	-76.1	-173.9	174.9	-177.1	0	109.1	S574 S576	S574-K578 PolarHBondContact OG-O 3.02Å; S576-K578 PolarHBondContact O-N 2.92Å; S576-K578 PolarHBondContact OG-O 3.36Å
579	T	79.9	Confident	76.6	Confident	31 Å²	31	61.4 Å²	61.4	19%	0.19	35%	0.345	C	S	.	.			trans	-78.7	159.3	175	59.7	0	0	0	0	111.5	D572 S574 R581 S582	D572-T579 VanDerWaalsContact O-CG2 3.29Å; D572-T579 WeakPolarHBondContact O-CG2 3.21Å; S574-T579 WeakPolarHBondContact OG-CA 3.25Å; T579-R581 VanDerWaalsContact C-N 3.28Å; T579-R581 PolarHBondContact O-N 3.48Å; T579-S582 PolarHBondContact N-OG 3.39Å; T579-S582 PolarHBondContact O-N 3.42Å; T579-S582 PolarHBondContact O-OG 3.24Å; T579-S582 WeakPolarHBondContact OG1-CB 3.47Å; T579-S582 PolarHBondContact OG1-N 3.21Å; T579-S582 PolarHBondContact OG1-OG 2.77Å
580	L	83.9	Confident	76.6	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.23	37%	0.373	C	S	.	.	S	Bend	trans	-61.7	-40.4	173.7	-62.4	178.7	0	0	0	110.6	V506 I507 L569 S582 S583	V506-L580 HydrophobicContact CB-CD2 4.33Å; V506-L580 HydrophobicContact CG1-CD2 3.82Å; I507-L580 HydrophobicContact CG1-CD2 4.04Å; L569-L580 HydrophobicContact CD2-CB 4.49Å; L569-L580 HydrophobicContact CD2-CD1 4.33Å; L569-L580 CarbonylContact O-C 3.56Å; L580-S582 VanDerWaalsContact C-N 3.34Å; L580-S582 PolarHBondContact O-N 2.97Å; L580-S583 PolarHBondContact O-N 2.76Å
581	R	85.9	Confident	76.7	Confident	64 Å²	64	69.2 Å²	69.2	24%	0.242	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-52.7	-46.8	174.2	-170.2	-171.7	-177.6	78.3	3.1	112.9	L569 I570 D572 T579 S583 L584 I589 E593	L569-R581 VanDerWaalsContact O-CA 3.25Å; L569-R581 WeakPolarHBondContact O-CA 3.4Å; L569-R581 PolarHBondContact O-N 3.31Å; I570-R581 WeakPolarHBondContact O-CD 3.3Å; I570-R581 PolarHBondContact O-NH1 3.45Å; D572-R581 WeakPolarHBondContact OD1-CD 3.43Å; D572-R581 IonicContact OD1-NE 3.71Å; T579-R581 VanDerWaalsContact C-N 3.28Å; T579-R581 PolarHBondContact O-N 3.48Å; R581-S583 PolarHBondContact O-N 3.3Å; R581-L584 PolarHBondContact O-N 3Å; R581-I589 HydrophobicContact CG-CD1 3.96Å; R581-E593 IonicContact CZ-OE1 2.68Å; R581-E593 IonicContact NH1-OE1 3.64Å; R581-E593 PolarHBondContact NH1-OE1 2.84Å; R581-E593 IonicContact NH2-OE1 3.03Å; R581-E593 PolarHBondContact NH2-OE1 3.21Å
582	S	83.5	Confident	77.1	Confident	74 Å²	74	68.2 Å²	68.2	52%	0.517	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63.6	-12.2	-179.3	71.9	0	0	0	0	114.7	T579 L580	T579-S582 PolarHBondContact N-OG 3.39Å; T579-S582 PolarHBondContact O-N 3.42Å; T579-S582 PolarHBondContact O-OG 3.24Å; T579-S582 WeakPolarHBondContact OG1-CB 3.47Å; T579-S582 PolarHBondContact OG1-N 3.21Å; T579-S582 PolarHBondContact OG1-OG 2.77Å; L580-S582 VanDerWaalsContact C-N 3.34Å; L580-S582 PolarHBondContact O-N 2.97Å
583	S	81.8	Confident	78.2	Confident	33 Å²	33	65.3 Å²	65.3	23%	0.231	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-103.4	0.8	179	-68.1	0	0	0	0	113.6	L580 R581	L580-S583 PolarHBondContact O-N 2.76Å; R581-S583 PolarHBondContact O-N 3.3Å
584	L	85.8	Confident	79.7	Confident	22 Å²	22	67.1 Å²	67.1	12%	0.115	37%	0.368	C	S	.	.	S	Bend	trans	-99	159.7	174	-67.4	171.8	0	0	0	111.2	I507 L569 R581 I589 I592	I507-L584 HydrophobicContact CD1-CD2 4.13Å; I507-L584 HydrophobicContact CD1-CG 4.22Å; I507-L584 HydrophobicContact CG2-CD2 3.93Å; L569-L584 HydrophobicContact CB-CD1 4.1Å; R581-L584 PolarHBondContact O-N 3Å; L584-I589 HydrophobicContact CB-CD1 4.02Å; L584-I589 HydrophobicContact CB-CG1 3.68Å; L584-I589 HydrophobicContact CD1-CG1 4.37Å; L584-I592 HydrophobicContact CD1-CD1 4.15Å
585	E	82.1	Confident	81.8	Confident	79 Å²	79	66.6 Å²	66.6	37%	0.369	36%	0.362	S	S	.	.			trans	-89.5	151.3	177.2	-74.1	-175.9	-172.5	0	0	111.4	Q498 K502 T588 I589	Q498-E585 PolarHBondContact NE2-OE1 3.32Å; Q498-E585 PolarHBondContact NE2-OE2 3.36Å; Q498-E585 PolarHBondContact OE1-OE1 2.92Å; Q498-E585 VanDerWaalsContact OE1-OE1 3.07Å; Q498-E585 PolarHBondContact OE1-OE2 2.76Å; K502-E585 IonicContact NZ-OE1 3.55Å; K502-E585 PolarHBondContact NZ-OE1 2.89Å; E585-T588 PolarHBondContact N-OG1 3.07Å; E585-T588 VanDerWaalsContact N-OG1 3.16Å; E585-T588 PolarHBondContact O-N 3.19Å; E585-T588 VanDerWaalsContact O-N 3.08Å; E585-T588 PolarHBondContact O-OG1 3.2Å; E585-I589 WeakPolarHBondContact O-CG1 3.3Å; E585-I589 PolarHBondContact O-N 2.8Å; E585-I589 VanDerWaalsContact O-N 3.08Å
586	G	82.7	Confident	83.9	Confident	48 Å²	48	65.3 Å²	65.3	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-49.2	-52.8	-175.1	0	0	0	0	0	114.7	T588 I589 L590	G586-T588 VanDerWaalsContact C-N 3.34Å; G586-T588 PolarHBondContact O-N 3.32Å; G586-I589 PolarHBondContact O-N 3.21Å; G586-L590 PolarHBondContact O-N 2.87Å
587	P	88.1	Confident	85.7	Confident	88 Å²	88	67.1 Å²	67.1	57%	0.571	34%	0.344	S	S	*	.	H	α-helix	trans	-59.9	-41.3	178.6	-25.2	35.1	0	0	0	113.2	I589 L590 D591	P587-I589 VanDerWaalsContact C-N 3.29Å; P587-I589 PolarHBondContact O-N 2.77Å; P587-L590 WeakPolarHBondContact O-CB 3.43Å; P587-L590 PolarHBondContact O-N 2.9Å; P587-D591 PolarHBondContact O-N 2.93Å
588	T	88.9	Confident	87.6	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-32.8	-179.9	60.5	0	0	0	0	112.9	P495 E585 G586 I592	P495-T588 HydrophobicContact CB-CG2 4.38Å; P495-T588 HydrophobicContact CG-CG2 3.73Å; E585-T588 PolarHBondContact N-OG1 3.07Å; E585-T588 VanDerWaalsContact N-OG1 3.16Å; E585-T588 PolarHBondContact O-N 3.19Å; E585-T588 VanDerWaalsContact O-N 3.08Å; E585-T588 PolarHBondContact O-OG1 3.2Å; G586-T588 VanDerWaalsContact C-N 3.34Å; G586-T588 PolarHBondContact O-N 3.32Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.35Å; T588-I592 PolarHBondContact O-N 3.32Å; T588-I592 VanDerWaalsContact O-N 3.16Å
589	I	87.5	Confident	88.8	Confident	19 Å²	19	52.3 Å²	52.3	10%	0.097	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-45.2	175	-67.7	169.2	0	0	0	109.8	I570 R581 L584 E585 G586 P587 D591 I592 E593	I570-I589 HydrophobicContact CG2-CG2 4.37Å; R581-I589 HydrophobicContact CG-CD1 3.96Å; L584-I589 HydrophobicContact CB-CD1 4.02Å; L584-I589 HydrophobicContact CB-CG1 3.68Å; L584-I589 HydrophobicContact CD1-CG1 4.37Å; E585-I589 WeakPolarHBondContact O-CG1 3.3Å; E585-I589 PolarHBondContact O-N 2.8Å; E585-I589 VanDerWaalsContact O-N 3.08Å; G586-I589 PolarHBondContact O-N 3.21Å; P587-I589 VanDerWaalsContact C-N 3.29Å; P587-I589 PolarHBondContact O-N 2.77Å; I589-D591 VanDerWaalsContact C-N 3.32Å; I589-D591 PolarHBondContact O-N 3.28Å; I589-I592 PolarHBondContact O-N 3.12Å; I589-E593 HydrophobicContact CG2-CG 4.33Å; I589-E593 WeakPolarHBondContact CG2-OE1 3.42Å; I589-E593 WeakPolarHBondContact O-CB 3.3Å; I589-E593 WeakPolarHBondContact O-CG 3.47Å; I589-E593 PolarHBondContact O-N 3Å
590	L	91.2	Very high	89.5	Confident	112 Å²	112	52.4 Å²	52.4	59%	0.586	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-38.7	178.1	-66	173.1	0	0	0	112.1	G586 P587 E593 K594	G586-L590 PolarHBondContact O-N 2.87Å; P587-L590 WeakPolarHBondContact O-CB 3.43Å; P587-L590 PolarHBondContact O-N 2.9Å; L590-E593 PolarHBondContact O-N 2.68Å; L590-K594 WeakPolarHBondContact O-CB 3.5Å; L590-K594 PolarHBondContact O-N 3.1Å
591	D	92.5	Very high	90.1	Very high	73 Å²	73	51.4 Å²	51.4	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.3	-69.3	-31.7	0	0	0	111.8	T491 P587 I589 F595	T491-D591 HydrophobicContact CG2-CB 3.94Å; P587-D591 PolarHBondContact O-N 2.93Å; I589-D591 VanDerWaalsContact C-N 3.32Å; I589-D591 PolarHBondContact O-N 3.28Å; D591-F595 PolarHBondContact O-N 2.84Å; D591-F595 VanDerWaalsContact O-N 3.08Å
592	I	93.7	Very high	90.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-46.2	176.4	-64.9	165.5	0	0	0	110.5	F487 L566 L569 I570 L584 T588 I589 K594 F595 H596	F487-I592 HydrophobicContact CZ-CG1 4.15Å; L566-I592 HydrophobicContact CB-CG2 3.93Å; L566-I592 HydrophobicContact CD2-CG1 4.34Å; L566-I592 HydrophobicContact CD2-CG2 3.91Å; L566-I592 HydrophobicContact CG-CG2 4.4Å; L569-I592 HydrophobicContact CD1-CD1 4.39Å; I570-I592 HydrophobicContact CD1-CG2 4.37Å; I570-I592 HydrophobicContact CG2-CB 3.89Å; I570-I592 HydrophobicContact CG2-CD1 4.47Å; I570-I592 HydrophobicContact CG2-CG2 3.51Å; L584-I592 HydrophobicContact CD1-CD1 4.15Å; T588-I592 VanDerWaalsContact O-CG1 3.29Å; T588-I592 WeakPolarHBondContact O-CG1 3.35Å; T588-I592 PolarHBondContact O-N 3.32Å; T588-I592 VanDerWaalsContact O-N 3.16Å; I589-I592 PolarHBondContact O-N 3.12Å; I592-K594 VanDerWaalsContact C-N 3.31Å; I592-K594 PolarHBondContact O-N 2.85Å; I592-F595 PolarHBondContact O-N 3.07Å; I592-H596 WeakPolarHBondContact O-CB 3.33Å; I592-H596 PolarHBondContact O-N 3.36Å
593	E	92.3	Very high	91	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-41.7	177.4	-76.8	174.3	178.2	0	0	111.6	I570 R581 I589 L590 H596 K597	I570-E593 HydrophobicContact CD1-CG 3.9Å; I570-E593 HydrophobicContact CG2-CG 4.31Å; R581-E593 IonicContact CZ-OE1 2.68Å; R581-E593 IonicContact NH1-OE1 3.64Å; R581-E593 PolarHBondContact NH1-OE1 2.84Å; R581-E593 IonicContact NH2-OE1 3.03Å; R581-E593 PolarHBondContact NH2-OE1 3.21Å; I589-E593 HydrophobicContact CG2-CG 4.33Å; I589-E593 WeakPolarHBondContact CG2-OE1 3.42Å; I589-E593 WeakPolarHBondContact O-CB 3.3Å; I589-E593 WeakPolarHBondContact O-CG 3.47Å; I589-E593 PolarHBondContact O-N 3Å; L590-E593 PolarHBondContact O-N 2.68Å; E593-H596 PolarHBondContact O-N 3.37Å; E593-K597 VanDerWaalsContact O-CB 3.3Å; E593-K597 WeakPolarHBondContact O-CB 3.49Å; E593-K597 PolarHBondContact O-N 3.48Å
594	K	93.7	Very high	91.5	Very high	130 Å²	130	47.5 Å²	47.5	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-61	-53.4	177	-178.3	179.9	176.5	-173.8	0	111.2	L590 I592 H596 K597 E598	L590-K594 WeakPolarHBondContact O-CB 3.5Å; L590-K594 PolarHBondContact O-N 3.1Å; I592-K594 VanDerWaalsContact C-N 3.31Å; I592-K594 PolarHBondContact O-N 2.85Å; K594-H596 VanDerWaalsContact C-N 3.33Å; K594-H596 PolarHBondContact O-N 3.35Å; K594-K597 PolarHBondContact O-N 3.49Å; K594-E598 WeakPolarHBondContact CE-OE1 3.45Å; K594-E598 WeakPolarHBondContact CG-OE1 3.49Å; K594-E598 WeakPolarHBondContact O-CG 3.12Å; K594-E598 PolarHBondContact O-N 3.31Å
595	F	95.9	Very high	91.9	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.066	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-40.7	178.7	-178	-94.8	0	0	0	111.8	A483 L484 F487 V562 L566 D591 I592 K597 E598 S599 Y602	A483-F595 HydrophobicContact CB-CE2 4.48Å; L484-F595 HydrophobicContact CB-CZ 4.4Å; L484-F595 HydrophobicContact CD1-CE1 4.33Å; L484-F595 HydrophobicContact CD1-CZ 3.7Å; F487-F595 HydrophobicContact CB-CD2 3.79Å; F487-F595 HydrophobicContact CB-CE2 3.96Å; F487-F595 HydrophobicContact CB-CG 4.28Å; F487-F595 AromaticContact CD1-CD1 3.83Å; F487-F595 HydrophobicContact CD1-CD1 3.83Å; F487-F595 HydrophobicContact CD1-CD2 4.21Å; F487-F595 HydrophobicContact CD1-CE1 4.07Å; F487-F595 HydrophobicContact CD1-CE2 4.43Å; F487-F595 AromaticContact CD1-CG 3.9Å; F487-F595 HydrophobicContact CD1-CG 3.9Å; F487-F595 HydrophobicContact CD1-CZ 4.38Å; F487-F595 HydrophobicContact CD2-CB 3.66Å; F487-F595 HydrophobicContact CD2-CD1 4.48Å; F487-F595 HydrophobicContact CD2-CD2 4.06Å; F487-F595 AromaticContact CD2-CG 3.8Å; F487-F595 HydrophobicContact CD2-CG 3.8Å; F487-F595 HydrophobicContact CE1-CB 4.47Å; F487-F595 AromaticContact CE1-CD1 3.87Å; F487-F595 HydrophobicContact CE1-CD1 3.87Å; F487-F595 HydrophobicContact CE1-CE1 4.37Å; F487-F595 HydrophobicContact CE1-CG 4.16Å; F487-F595 HydrophobicContact CE2-CB 3.61Å; F487-F595 HydrophobicContact CE2-CD1 4.5Å; F487-F595 HydrophobicContact CE2-CG 4.05Å; F487-F595 HydrophobicContact CG-CB 4.12Å; F487-F595 HydrophobicContact CG-CD1 4.14Å; F487-F595 AromaticContact CG-CD2 3.75Å; F487-F595 HydrophobicContact CG-CD2 3.75Å; F487-F595 HydrophobicContact CG-CE2 4.21Å; F487-F595 AromaticContact CG-CG 3.71Å; F487-F595 HydrophobicContact CG-CG 3.71Å; F487-F595 HydrophobicContact CZ-CB 4.03Å; F487-F595 HydrophobicContact CZ-CD1 4.2Å; F487-F595 HydrophobicContact CZ-CG 4.22Å; V562-F595 HydrophobicContact CG1-CE1 4.19Å; L566-F595 HydrophobicContact CD1-CD1 3.64Å; L566-F595 HydrophobicContact CD1-CE1 3.98Å; D591-F595 PolarHBondContact O-N 2.84Å; D591-F595 VanDerWaalsContact O-N 3.08Å; I592-F595 PolarHBondContact O-N 3.07Å; F595-K597 VanDerWaalsContact C-N 3.34Å; F595-K597 PolarHBondContact O-N 3.49Å; F595-E598 PolarHBondContact O-N 2.88Å; F595-S599 VanDerWaalsContact O-CB 3.24Å; F595-S599 WeakPolarHBondContact O-CB 3.33Å; F595-S599 PolarHBondContact O-N 3.1Å; F595-S599 PolarHBondContact O-OG 3.41Å; F595-Y602 HydrophobicContact CE2-CE2 4.4Å; F595-Y602 HydrophobicContact CZ-CE2 4.45Å
596	H	94.4	Very high	92.4	Very high	15 Å²	15	44 Å²	44	7%	0.069	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-39	177.2	-172.9	-104.9	0	0	0	112.1	E155 R563 I570 I592 E593 K594 S599	E155-H596 IonicContact OE2-CE1 3.43Å; R563-H596 PolarHBondContact NH1-O 3.33Å; R563-H596 PolarHBondContact NH2-NE2 3.13Å; I570-H596 HydrophobicContact CD1-CB 4.47Å; I592-H596 WeakPolarHBondContact O-CB 3.33Å; I592-H596 PolarHBondContact O-N 3.36Å; E593-H596 PolarHBondContact O-N 3.37Å; K594-H596 VanDerWaalsContact C-N 3.33Å; K594-H596 PolarHBondContact O-N 3.35Å; H596-S599 PolarHBondContact O-OG 2.84Å
597	K	92.4	Very high	92.8	Very high	114 Å²	114	43.3 Å²	43.3	50%	0.496	22%	0.218	S	C	.	.	H	α-helix	trans	-71.6	-44.9	177.2	-168.4	173.3	-176	172.5	0	112.2	L253 E593 K594 F595 F600	L253-K597 HydrophobicContact CD2-CG 4.31Å; E593-K597 VanDerWaalsContact O-CB 3.3Å; E593-K597 WeakPolarHBondContact O-CB 3.49Å; E593-K597 PolarHBondContact O-N 3.48Å; K594-K597 PolarHBondContact O-N 3.49Å; F595-K597 VanDerWaalsContact C-N 3.34Å; F595-K597 PolarHBondContact O-N 3.49Å; K597-F600 VanDerWaalsContact O-CB 3.27Å; K597-F600 WeakPolarHBondContact O-CB 3.47Å; K597-F600 PolarHBondContact O-N 3.33Å
598	E	93.2	Very high	92.9	Very high	65 Å²	65	39.2 Å²	39.2	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-66.4	-39.4	179.5	-71.5	-174.9	-149.8	0	0	112.4	R388 K594 F595 F600 Y602	R388-E598 IonicContact NH1-OE2 2.89Å; R388-E598 IonicContact NH2-OE2 3.75Å; K594-E598 WeakPolarHBondContact CE-OE1 3.45Å; K594-E598 WeakPolarHBondContact CG-OE1 3.49Å; K594-E598 WeakPolarHBondContact O-CG 3.12Å; K594-E598 PolarHBondContact O-N 3.31Å; F595-E598 PolarHBondContact O-N 2.88Å; E598-F600 PolarHBondContact O-N 2.99Å; E598-F600 VanDerWaalsContact O-N 3.15Å; E598-Y602 VanDerWaalsContact O-CE1 3.32Å; E598-Y602 WeakPolarHBondContact O-CE1 3.49Å
599	S	95.8	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.6	-1.5	-179.8	61	0	0	0	0	114.7	R563 F595 H596 F601 Y602	R563-S599 PolarHBondContact NH1-O 2.84Å; R563-S599 PolarHBondContact NH1-OG 3.47Å; F595-S599 VanDerWaalsContact O-CB 3.24Å; F595-S599 WeakPolarHBondContact O-CB 3.33Å; F595-S599 PolarHBondContact O-N 3.1Å; F595-S599 PolarHBondContact O-OG 3.41Å; H596-S599 PolarHBondContact O-OG 2.84Å; S599-F601 VanDerWaalsContact C-N 3.33Å; S599-F601 PolarHBondContact O-N 3.31Å; S599-Y602 VanDerWaalsContact CB-CD2 3.49Å; S599-Y602 VanDerWaalsContact CB-CE2 3.44Å; S599-Y602 PolarHBondContact O-N 2.78Å
600	F	95.2	Very high	92.9	Very high	33 Å²	33	42 Å²	42	15%	0.145	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.7	-42.3	176.3	178.7	-93.9	0	0	0	111.7	Y248 L253 R563 K597 E598 Y602	Y248-F600 HydrophobicContact CD2-CE2 4.35Å; Y248-F600 HydrophobicContact CD2-CZ 4.43Å; Y248-F600 AromaticContact CE2-CE2 3.63Å; Y248-F600 HydrophobicContact CE2-CE2 3.63Å; Y248-F600 HydrophobicContact CE2-CZ 4.12Å; L253-F600 VanDerWaalsContact C-CE1 3.45Å; L253-F600 HydrophobicContact CB-CE1 4.12Å; L253-F600 HydrophobicContact CB-CE2 4.25Å; L253-F600 HydrophobicContact CB-CZ 3.98Å; L253-F600 HydrophobicContact CD2-CD1 4.38Å; L253-F600 HydrophobicContact CD2-CG 4.35Å; L253-F600 VanDerWaalsContact O-CZ 3.24Å; L253-F600 WeakPolarHBondContact O-CZ 3.28Å; R563-F600 VanDerWaalsContact NH1-N 3.14Å; K597-F600 VanDerWaalsContact O-CB 3.27Å; K597-F600 WeakPolarHBondContact O-CB 3.47Å; K597-F600 PolarHBondContact O-N 3.33Å; E598-F600 PolarHBondContact O-N 2.99Å; E598-F600 VanDerWaalsContact O-N 3.15Å; F600-Y602 VanDerWaalsContact C-N 3.35Å; F600-Y602 PolarHBondContact O-N 3.32Å
601	F	95.9	Very high	93	Very high	23 Å²	23	36.9 Å²	36.9	10%	0.101	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-86.3	-1.3	-176.5	-58.9	-72.4	0	0	0	114.1	L255 L395 S599 T603 H604 L605	L255-F601 HydrophobicContact CB-CD1 4.36Å; L255-F601 HydrophobicContact CB-CE1 4.4Å; L255-F601 HydrophobicContact CD1-CD1 4.42Å; L255-F601 HydrophobicContact CD1-CE1 4.48Å; L255-F601 HydrophobicContact CD2-CD1 4.46Å; L395-F601 HydrophobicContact CD1-CB 4.04Å; L395-F601 HydrophobicContact CD1-CD1 4.1Å; L395-F601 HydrophobicContact CD1-CG 3.97Å; L395-F601 HydrophobicContact CD2-CB 4.45Å; L395-F601 HydrophobicContact CD2-CD2 4.15Å; L395-F601 HydrophobicContact CD2-CG 4.34Å; S599-F601 VanDerWaalsContact C-N 3.33Å; S599-F601 PolarHBondContact O-N 3.31Å; F601-T603 PolarHBondContact O-N 3.45Å; F601-H604 PolarHBondContact O-N 2.89Å; F601-L605 HydrophobicContact CB-CD1 4.31Å; F601-L605 WeakPolarHBondContact O-CG 3.39Å; F601-L605 PolarHBondContact O-N 2.94Å
602	Y	95.6	Very high	93	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-40.1	-172.5	-74.2	3.6	0	0	0	112.4	F391 I480 L559 F595 E598 S599 F600 H604 L605 L606	F391-Y602 HydrophobicContact CE2-CD1 4.21Å; F391-Y602 HydrophobicContact CE2-CE1 4.18Å; F391-Y602 HydrophobicContact CZ-CD1 4.02Å; F391-Y602 AromaticContact CZ-CE1 3.77Å; F391-Y602 HydrophobicContact CZ-CE1 3.77Å; I480-Y602 HydrophobicContact CB-CD2 4.39Å; I480-Y602 HydrophobicContact CD1-CD1 4.03Å; I480-Y602 HydrophobicContact CD1-CD2 4.42Å; I480-Y602 HydrophobicContact CD1-CG 3.84Å; I480-Y602 HydrophobicContact CG1-CD1 3.84Å; I480-Y602 HydrophobicContact CG1-CD2 4.05Å; I480-Y602 HydrophobicContact CG1-CE1 4.13Å; I480-Y602 HydrophobicContact CG1-CE2 4.3Å; I480-Y602 HydrophobicContact CG1-CG 3.81Å; I480-Y602 HydrophobicContact CG2-CD2 3.66Å; I480-Y602 HydrophobicContact CG2-CE2 4.04Å; I480-Y602 HydrophobicContact CG2-CG 4.16Å; L559-Y602 HydrophobicContact CD1-CD2 4.2Å; F595-Y602 HydrophobicContact CE2-CE2 4.4Å; F595-Y602 HydrophobicContact CZ-CE2 4.45Å; E598-Y602 VanDerWaalsContact O-CE1 3.32Å; E598-Y602 WeakPolarHBondContact O-CE1 3.49Å; S599-Y602 VanDerWaalsContact CB-CD2 3.49Å; S599-Y602 VanDerWaalsContact CB-CE2 3.44Å; S599-Y602 PolarHBondContact O-N 2.78Å; F600-Y602 VanDerWaalsContact C-N 3.35Å; F600-Y602 PolarHBondContact O-N 3.32Å; Y602-H604 PolarHBondContact O-N 3.35Å; Y602-L605 PolarHBondContact O-N 3.15Å; Y602-L606 WeakPolarHBondContact O-CB 3.02Å; Y602-L606 VanDerWaalsContact O-CG 3.24Å; Y602-L606 WeakPolarHBondContact O-CG 3.45Å; Y602-L606 PolarHBondContact O-N 3.5Å
603	T	92.2	Very high	92.8	Very high	60 Å²	60	37 Å²	37	37%	0.368	18%	0.176	S	C	.	.	H	α-helix	trans	-61.4	-44.9	177.2	-53	0	0	0	0	111.4	F601 L605 L606 N607	F601-T603 PolarHBondContact O-N 3.45Å; T603-L605 PolarHBondContact O-N 2.89Å; T603-L606 PolarHBondContact O-N 3.43Å; T603-N607 PolarHBondContact O-N 3.46Å; T603-N607 VanDerWaalsContact O-N 3.08Å
604	H	93.3	Very high	92.8	Very high	28 Å²	28	37.4 Å²	37.4	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-44.4	177.6	-59.3	89.3	0	0	0	112.1	L255 E259 F601 Y602 N607 F608 T611	L255-H604 HydrophobicContact CD2-CB 3.39Å; E259-H604 IonicContact OE1-CD2 2.82Å; E259-H604 IonicContact OE1-CE1 2.88Å; E259-H604 IonicContact OE1-NE2 2.78Å; E259-H604 PolarHBondContact OE1-NE2 3.25Å; E259-H604 IonicContact OE2-NE2 2.87Å; F601-H604 PolarHBondContact O-N 2.89Å; Y602-H604 PolarHBondContact O-N 3.35Å; H604-N607 CarbonylContact O-C 3.53Å; H604-N607 WeakPolarHBondContact O-CA 3.39Å; H604-N607 PolarHBondContact O-N 3.45Å; H604-F608 PolarHBondContact O-N 2.89Å; H604-T611 HydrophobicContact CB-CG2 4.02Å; H604-T611 PolarHBondContact O-OG1 3.4Å
605	L	93.9	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71	-34.4	-179.1	-68.2	171.9	0	0	0	112.5	F391 A394 L395 I398 I476 F601 Y602 T603 N607 F608	F391-L605 HydrophobicContact CD2-CD1 3.94Å; F391-L605 HydrophobicContact CE1-CD1 4.05Å; F391-L605 HydrophobicContact CE2-CB 4.48Å; F391-L605 HydrophobicContact CE2-CD1 3.23Å; F391-L605 HydrophobicContact CE2-CG 4.47Å; F391-L605 HydrophobicContact CZ-CD1 3.28Å; A394-L605 HydrophobicContact CB-CD2 4.32Å; L395-L605 HydrophobicContact CB-CD1 4.11Å; L395-L605 HydrophobicContact CB-CD2 4.06Å; L395-L605 HydrophobicContact CD1-CD1 4.29Å; L395-L605 HydrophobicContact CD1-CD2 4.29Å; L395-L605 HydrophobicContact CD1-CG 4.47Å; L395-L605 HydrophobicContact CD2-CD1 4.5Å; I398-L605 HydrophobicContact CD1-CD2 4.06Å; I476-L605 HydrophobicContact CD1-CB 4.15Å; I476-L605 HydrophobicContact CD1-CD2 4.31Å; I476-L605 HydrophobicContact CG1-CB 4.45Å; I476-L605 HydrophobicContact CG2-CB 3.76Å; F601-L605 HydrophobicContact CB-CD1 4.31Å; F601-L605 WeakPolarHBondContact O-CG 3.39Å; F601-L605 PolarHBondContact O-N 2.94Å; Y602-L605 PolarHBondContact O-N 3.15Å; T603-L605 PolarHBondContact O-N 2.89Å; L605-N607 PolarHBondContact O-N 2.98Å; L605-F608 WeakPolarHBondContact O-CB 3.41Å; L605-F608 PolarHBondContact O-N 3.49Å
606	L	92.4	Very high	92.7	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-31.5	171.7	-72.1	169.2	0	0	0	111.7	I476 R477 I480 Y602 T603	I476-L606 HydrophobicContact CG2-CD2 4.37Å; R477-L606 HydrophobicContact CG-CD2 3.87Å; I480-L606 HydrophobicContact CD1-CD1 4.2Å; I480-L606 HydrophobicContact CD1-CD2 3.88Å; I480-L606 HydrophobicContact CD1-CG 3.68Å; Y602-L606 WeakPolarHBondContact O-CB 3.02Å; Y602-L606 VanDerWaalsContact O-CG 3.24Å; Y602-L606 WeakPolarHBondContact O-CG 3.45Å; Y602-L606 PolarHBondContact O-N 3.5Å; T603-L606 PolarHBondContact O-N 3.43Å
607	N	90.4	Very high	92.5	Very high	33 Å²	33	32.8 Å²	32.8	18%	0.176	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	46.9	174.1	-61.9	-24.8	0	0	0	111.2	T603 H604 L605 S609 E610 T611	T603-N607 PolarHBondContact O-N 3.46Å; T603-N607 VanDerWaalsContact O-N 3.08Å; H604-N607 CarbonylContact O-C 3.53Å; H604-N607 WeakPolarHBondContact O-CA 3.39Å; H604-N607 PolarHBondContact O-N 3.45Å; L605-N607 PolarHBondContact O-N 2.98Å; N607-S609 VanDerWaalsContact C-N 3.34Å; N607-S609 PolarHBondContact O-N 3.4Å; N607-E610 PolarHBondContact O-N 2.94Å; N607-T611 WeakPolarHBondContact O-CB 3.15Å; N607-T611 PolarHBondContact O-N 3.4Å; N607-T611 PolarHBondContact O-OG1 3.43Å
608	F	90.9	Very high	92.7	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-54.2	-46.1	-171.9	-179.1	-95.1	0	0	0	113.2	A394 I398 M465 E469 F472 I476 H604 L605 E610 T611 L612	A394-F608 HydrophobicContact CB-CD2 4.33Å; A394-F608 HydrophobicContact CB-CE2 3.93Å; I398-F608 HydrophobicContact CD1-CD2 3.51Å; I398-F608 HydrophobicContact CD1-CE2 3.48Å; I398-F608 VanDerWaalsContact CD1-CE2 3.48Å; I398-F608 HydrophobicContact CG1-CD2 4.43Å; I398-F608 HydrophobicContact CG1-CE2 3.92Å; M465-F608 HydrophobicContact CB-CZ 4.22Å; M465-F608 HydrophobicContact CE-CE2 4.01Å; M465-F608 HydrophobicContact CE-CZ 3.8Å; E469-F608 HydrophobicContact CB-CD1 4.39Å; E469-F608 HydrophobicContact CB-CE1 4.37Å; E469-F608 HydrophobicContact CG-CD1 4.06Å; F472-F608 HydrophobicContact CD2-CE1 4.03Å; F472-F608 HydrophobicContact CD2-CE2 4.09Å; F472-F608 AromaticContact CD2-CZ 3.6Å; F472-F608 HydrophobicContact CD2-CZ 3.6Å; F472-F608 HydrophobicContact CE2-CZ 4.04Å; F472-F608 HydrophobicContact CG-CZ 4.47Å; I476-F608 HydrophobicContact CD1-CD2 4.2Å; H604-F608 PolarHBondContact O-N 2.89Å; L605-F608 WeakPolarHBondContact O-CB 3.41Å; L605-F608 PolarHBondContact O-N 3.49Å; F608-E610 PolarHBondContact O-N 3.07Å; F608-T611 PolarHBondContact O-N 3.23Å; F608-L612 HydrophobicContact CE1-CD2 4.01Å; F608-L612 HydrophobicContact CZ-CD2 4.46Å; F608-L612 VanDerWaalsContact O-CB 3.27Å; F608-L612 WeakPolarHBondContact O-CB 3.12Å; F608-L612 PolarHBondContact O-N 3.32Å
609	S	88.6	Confident	92.7	Very high	15 Å²	15	24.3 Å²	24.3	11%	0.105	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-48.3	-177.4	-163.1	0	0	0	0	112.7	Q39 E469 N607 L612 Q613	Q39-S609 PolarHBondContact NE2-OG 3.28Å; Q39-S609 VanDerWaalsContact NE2-OG 3.08Å; E469-S609 WeakPolarHBondContact OE1-CB 3.12Å; N607-S609 VanDerWaalsContact C-N 3.34Å; N607-S609 PolarHBondContact O-N 3.4Å; S609-L612 PolarHBondContact O-N 2.92Å; S609-Q613 PolarHBondContact O-N 3.41Å
610	E	88.3	Confident	92.7	Very high	72 Å²	72	25.8 Å²	25.8	34%	0.336	13%	0.13	S	C	.	.	H	α-helix	trans	-66.9	-44.7	178.3	-175.6	-178.1	-174	0	0	111.1	N607 F608 L612 Q613 Q614	N607-E610 PolarHBondContact O-N 2.94Å; F608-E610 PolarHBondContact O-N 3.07Å; E610-L612 VanDerWaalsContact C-N 3.3Å; E610-L612 PolarHBondContact O-N 3.07Å; E610-Q613 PolarHBondContact O-N 3.49Å; E610-Q614 WeakPolarHBondContact O-CG 3.22Å; E610-Q614 PolarHBondContact O-N 2.94Å; E610-Q614 PolarHBondContact OE1-NE2 3.12Å; E610-Q614 VanDerWaalsContact OE1-NE2 3.1Å
611	T	92.5	Very high	92.8	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-40.6	178.8	-56.9	0	0	0	0	111.4	L255 I398 H604 N607 F608 Q613 Q614 C615	L255-T611 HydrophobicContact CD2-CG2 3.53Å; L255-T611 HydrophobicContact CG-CG2 4.27Å; I398-T611 HydrophobicContact CD1-CG2 4.02Å; I398-T611 HydrophobicContact CG2-CG2 3.78Å; H604-T611 HydrophobicContact CB-CG2 4.02Å; H604-T611 PolarHBondContact O-OG1 3.4Å; N607-T611 WeakPolarHBondContact O-CB 3.15Å; N607-T611 PolarHBondContact O-N 3.4Å; N607-T611 PolarHBondContact O-OG1 3.43Å; F608-T611 PolarHBondContact O-N 3.23Å; T611-Q613 VanDerWaalsContact C-N 3.33Å; T611-Q613 PolarHBondContact O-N 2.9Å; T611-Q614 PolarHBondContact O-N 3.37Å; T611-C615 WeakPolarHBondContact O-CB 3.38Å; T611-C615 PolarHBondContact O-N 3.39Å; T611-C615 PolarHBondContact O-SG 2.92Å
612	L	92.7	Very high	92.9	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-44.6	177.5	179.6	62.3	0	0	0	111.2	L401 Q462 M465 F608 S609 E610 C615 C616	L401-L612 HydrophobicContact CD1-CD1 3.43Å; L401-L612 VanDerWaalsContact CD1-CD1 3.43Å; Q462-L612 HydrophobicContact CG-CD1 4.34Å; Q462-L612 HydrophobicContact CG-CD2 4.39Å; Q462-L612 HydrophobicContact CG-CG 4.17Å; M465-L612 HydrophobicContact CB-CD1 3.9Å; M465-L612 HydrophobicContact CB-CD2 4.04Å; M465-L612 HydrophobicContact CG-CD1 4.47Å; F608-L612 HydrophobicContact CE1-CD2 4.01Å; F608-L612 HydrophobicContact CZ-CD2 4.46Å; F608-L612 VanDerWaalsContact O-CB 3.27Å; F608-L612 WeakPolarHBondContact O-CB 3.12Å; F608-L612 PolarHBondContact O-N 3.32Å; S609-L612 PolarHBondContact O-N 2.92Å; E610-L612 VanDerWaalsContact C-N 3.3Å; E610-L612 PolarHBondContact O-N 3.07Å; L612-C615 PolarHBondContact O-N 3.22Å; L612-C616 PolarHBondContact O-N 3.17Å; L612-C616 PolarHBondContact O-SG 3.48Å
613	Q	90.3	Very high	93	Very high	68 Å²	68	23.2 Å²	23.2	32%	0.318	12%	0.119	S	C	.	.	H	α-helix	trans	-63.7	-46.6	175.9	-68.4	176.9	-2.9	0	0	111.7	S609 E610 T611 C615 C616 D617	S609-Q613 PolarHBondContact O-N 3.41Å; E610-Q613 PolarHBondContact O-N 3.49Å; T611-Q613 VanDerWaalsContact C-N 3.33Å; T611-Q613 PolarHBondContact O-N 2.9Å; Q613-C615 VanDerWaalsContact C-N 3.26Å; Q613-C615 PolarHBondContact O-N 3.09Å; Q613-C616 CarbonylContact O-C 3.59Å; Q613-C616 PolarHBondContact O-N 2.94Å; Q613-D617 PolarHBondContact O-N 3.33Å; Q613-D617 VanDerWaalsContact O-N 3.16Å
614	Q	90.9	Very high	93.3	Very high	72 Å²	72	20.4 Å²	20.4	34%	0.336	10%	0.102	S	C	.	.	H	α-helix	trans	-63.2	-31	179.8	-67.9	176.8	4.7	0	0	113	T256 E610 T611 C616	T256-Q614 HydrophobicContact CG2-CB 3.78Å; E610-Q614 WeakPolarHBondContact O-CG 3.22Å; E610-Q614 PolarHBondContact O-N 2.94Å; E610-Q614 PolarHBondContact OE1-NE2 3.12Å; E610-Q614 VanDerWaalsContact OE1-NE2 3.1Å; T611-Q614 PolarHBondContact O-N 3.37Å; Q614-C616 VanDerWaalsContact C-N 3.31Å
615	C	94.7	Very high	93.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-78.9	-12.1	175.5	-73.7	0	0	0	0	114	I398 L401 S405 T611 L612 Q613	I398-C615 HydrophobicContact CG2-CB 4.06Å; I398-C615 WeakPolarHBondContact CG2-SG 3.44Å; L401-C615 CarbonylContact C-O 3.58Å; L401-C615 HydrophobicContact CB-CB 4.35Å; S405-C615 VanDerWaalsContact CB-O 3.24Å; S405-C615 WeakPolarHBondContact CB-O 3.39Å; S405-C615 PolarHBondContact OG-O 3.33Å; T611-C615 WeakPolarHBondContact O-CB 3.38Å; T611-C615 PolarHBondContact O-N 3.39Å; T611-C615 PolarHBondContact O-SG 2.92Å; L612-C615 PolarHBondContact O-N 3.22Å; Q613-C615 VanDerWaalsContact C-N 3.26Å; Q613-C615 PolarHBondContact O-N 3.09Å
616	C	93.8	Very high	93.6	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.02	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	13.9	178.9	-53.9	0	0	0	0	112.7	I458 Q462 L612 Q613 Q614 L618	I458-C616 HydrophobicContact CG2-CB 3.83Å; Q462-C616 HydrophobicContact CG-CB 4.28Å; L612-C616 PolarHBondContact O-N 3.17Å; L612-C616 PolarHBondContact O-SG 3.48Å; Q613-C616 CarbonylContact O-C 3.59Å; Q613-C616 PolarHBondContact O-N 2.94Å; Q614-C616 VanDerWaalsContact C-N 3.31Å; C616-L618 PolarHBondContact O-N 3.11Å
617	D	90.1	Very high	93.8	Very high	60 Å²	60	20.3 Å²	20.3	32%	0.321	10%	0.1	S	C	.	.			trans	-72.9	111.5	-175.4	-176.1	12.5	0	0	0	111.7	Q613 S619	Q613-D617 PolarHBondContact O-N 3.33Å; Q613-D617 VanDerWaalsContact O-N 3.16Å; D617-S619 WeakPolarHBondContact OD1-CB 3.28Å; D617-S619 PolarHBondContact OD1-N 2.96Å; D617-S619 PolarHBondContact OD1-OG 3.49Å
618	L	95.6	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.			trans	-118.7	13.9	175.8	-57.4	175.8	0	0	0	112.1	V408 M409 M455 I458 C616 Q620 L621 L670	V408-L618 HydrophobicContact CB-CD2 4.23Å; V408-L618 HydrophobicContact CG1-CD2 4.14Å; M409-L618 HydrophobicContact CE-CB 4.44Å; M409-L618 HydrophobicContact CE-CD2 3.53Å; M409-L618 HydrophobicContact SD-CD2 4.47Å; M455-L618 HydrophobicContact CB-CD1 4.39Å; M455-L618 HydrophobicContact CG-CD1 3.98Å; I458-L618 HydrophobicContact CD1-CD1 4.26Å; I458-L618 HydrophobicContact CD1-CD2 4.47Å; C616-L618 PolarHBondContact O-N 3.11Å; L618-Q620 PolarHBondContact O-N 3.29Å; L618-Q620 VanDerWaalsContact O-N 3.15Å; L618-L621 HydrophobicContact CB-CD1 4.28Å; L618-L621 PolarHBondContact O-N 3.06Å; L618-L670 HydrophobicContact CB-CD2 3.65Å; L618-L670 HydrophobicContact CD1-CD2 3.94Å; L618-L670 HydrophobicContact CG-CD2 4.48Å
619	S	94.4	Very high	94.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.1	-174.7	60.7	0	0	0	0	114.4	D617 L621 F623 D673 S674 Y677	D617-S619 WeakPolarHBondContact OD1-CB 3.28Å; D617-S619 PolarHBondContact OD1-N 2.96Å; D617-S619 PolarHBondContact OD1-OG 3.49Å; S619-L621 PolarHBondContact O-N 3.46Å; S619-F623 VanDerWaalsContact O-CD2 3.27Å; S619-F623 WeakPolarHBondContact O-CD2 3.43Å; S619-F623 WeakPolarHBondContact O-CE2 3.34Å; S619-D673 WeakPolarHBondContact CB-O 3.41Å; S619-S674 PolarHBondContact O-OG 3.44Å; S619-Y677 WeakPolarHBondContact OG-CD2 3.47Å
620	Q	96.1	Very high	94.6	Very high	30 Å²	30	23.1 Å²	23.1	14%	0.14	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-76.3	-5.9	-173.7	-55.2	-54.7	-61.8	0	0	114.1	L618 W622	L618-Q620 PolarHBondContact O-N 3.29Å; L618-Q620 VanDerWaalsContact O-N 3.15Å; Q620-W622 VanDerWaalsContact C-N 3.31Å; Q620-W622 PolarHBondContact O-N 3.33Å
621	L	96.8	Very high	94.9	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-70.1	-24.7	179.9	-70.2	171.7	0	0	0	113.7	V408 M409 Y412 M455 L618 S619 M644 L670	V408-L621 HydrophobicContact CG1-CD1 4.49Å; M409-L621 HydrophobicContact CE-CD1 3.81Å; M409-L621 HydrophobicContact CE-CD2 3.65Å; M409-L621 HydrophobicContact CE-CG 3.61Å; Y412-L621 HydrophobicContact CD1-CD2 3.7Å; Y412-L621 HydrophobicContact CD2-CD2 3.8Å; Y412-L621 HydrophobicContact CE1-CD2 4.06Å; Y412-L621 HydrophobicContact CE2-CD2 4.18Å; Y412-L621 HydrophobicContact CG-CD2 3.53Å; M455-L621 HydrophobicContact CE-CD1 3.45Å; M455-L621 VanDerWaalsContact CE-CD1 3.45Å; L618-L621 HydrophobicContact CB-CD1 4.28Å; L618-L621 PolarHBondContact O-N 3.06Å; S619-L621 PolarHBondContact O-N 3.46Å; L621-M644 HydrophobicContact CB-CB 4.21Å; L621-M644 WeakPolarHBondContact O-CB 3.23Å; L621-L670 HydrophobicContact CD1-CD1 3.83Å; L621-L670 HydrophobicContact CD1-CD2 4.17Å
622	W	97.9	Very high	95	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-38.8	-179.3	-176.3	84.2	0	0	0	113.2	Q620 P645 Y671 S674 L687 E690 I691 E694	Q620-W622 VanDerWaalsContact C-N 3.31Å; Q620-W622 PolarHBondContact O-N 3.33Å; W622-P645 HydrophobicContact CB-CG 4.21Å; W622-Y671 AromaticContact CD1-CE1 3.66Å; W622-Y671 AromaticContact NE1-CE1 3.89Å; W622-S674 WeakPolarHBondContact CB-OG 3.41Å; W622-L687 HydrophobicContact CZ3-CD2 4.49Å; W622-E690 HydrophobicContact CH2-CB 3.88Å; W622-E690 HydrophobicContact CZ2-CB 4.19Å; W622-I691 HydrophobicContact CD2-CD1 4.32Å; W622-I691 HydrophobicContact CD2-CG1 3.69Å; W622-I691 HydrophobicContact CE3-CD1 3.81Å; W622-I691 HydrophobicContact CE3-CG1 3.55Å; W622-I691 HydrophobicContact CH2-CD1 4.29Å; W622-I691 HydrophobicContact CH2-CG1 3.45Å; W622-I691 VanDerWaalsContact CH2-CG1 3.45Å; W622-I691 HydrophobicContact CZ2-CB 4.39Å; W622-I691 HydrophobicContact CZ2-CG1 3.56Å; W622-I691 HydrophobicContact CZ3-CD1 3.81Å; W622-I691 HydrophobicContact CZ3-CG1 3.44Å; W622-I691 VanDerWaalsContact CZ3-CG1 3.44Å; W622-E694 VanDerWaalsContact NE1-CD 3.27Å; W622-E694 PolarHBondContact NE1-OE1 3.04Å; W622-E694 PolarHBondContact NE1-OE2 2.57Å
623	F	97.8	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.			trans	-65	143	-175.2	-61.3	-69.7	0	0	0	111.9	Y84 D310 S619 S674 Y677 A678 F682 L687 I691	Y84-F623 WeakPolarHBondContact OH-CB 3.29Å; D310-F623 WeakPolarHBondContact CB-O 3.44Å; S619-F623 VanDerWaalsContact O-CD2 3.27Å; S619-F623 WeakPolarHBondContact O-CD2 3.43Å; S619-F623 WeakPolarHBondContact O-CE2 3.34Å; F623-S674 VanDerWaalsContact CZ-O 3.3Å; F623-S674 WeakPolarHBondContact CZ-O 3.49Å; F623-Y677 HydrophobicContact CE2-CD1 4.02Å; F623-Y677 HydrophobicContact CE2-CG 4.28Å; F623-Y677 HydrophobicContact CZ-CD1 4.31Å; F623-A678 HydrophobicContact CE1-CB 4.21Å; F623-A678 HydrophobicContact CZ-CB 4.09Å; F623-F682 HydrophobicContact CD1-CD2 4.23Å; F623-F682 AromaticContact CD1-CE2 3.76Å; F623-F682 HydrophobicContact CD1-CE2 3.76Å; F623-F682 AromaticContact CD2-CE2 3.8Å; F623-F682 HydrophobicContact CD2-CE2 3.8Å; F623-F682 AromaticContact CE1-CD2 3.73Å; F623-F682 HydrophobicContact CE1-CD2 3.73Å; F623-F682 AromaticContact CE1-CE2 3.65Å; F623-F682 HydrophobicContact CE1-CE2 3.65Å; F623-F682 HydrophobicContact CE2-CD2 4.25Å; F623-F682 AromaticContact CE2-CE2 3.7Å; F623-F682 HydrophobicContact CE2-CE2 3.7Å; F623-F682 AromaticContact CG-CE2 3.84Å; F623-F682 HydrophobicContact CG-CE2 3.84Å; F623-F682 AromaticContact CZ-CD2 3.73Å; F623-F682 HydrophobicContact CZ-CD2 3.73Å; F623-F682 AromaticContact CZ-CE2 3.62Å; F623-F682 HydrophobicContact CZ-CE2 3.62Å; F623-L687 HydrophobicContact CE1-CD1 4.14Å; F623-I691 HydrophobicContact CE1-CD1 4.31Å; F623-I691 HydrophobicContact CZ-CD1 4.5Å
624	R	97.5	Very high	95	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	17%	0.17	C	C	.	.			trans	-154.2	32.1	-170.5	55.3	-158.4	180	-164.1	-12.4	114.3	D310 Y435 F626 F627 L628 F638 S643 E694	D310-R624 WeakPolarHBondContact OD2-CA 3.22Å; Y435-R624 HydrophobicContact CE1-CB 4.3Å; Y435-R624 HydrophobicContact CE2-CB 4.14Å; Y435-R624 WeakPolarHBondContact OH-CD 3.41Å; R624-F626 VanDerWaalsContact C-N 3.33Å; R624-F626 PolarHBondContact O-N 3.34Å; R624-F627 PolarHBondContact O-N 3.35Å; R624-L628 VanDerWaalsContact O-CG 3.31Å; R624-L628 WeakPolarHBondContact O-CG 3.48Å; R624-L628 PolarHBondContact O-N 3.15Å; R624-F638 HydrophobicContact CB-CD2 4.35Å; R624-F638 HydrophobicContact CB-CE2 4.47Å; R624-F638 HydrophobicContact CG-CD2 3.88Å; R624-F638 HydrophobicContact CG-CE2 4.41Å; R624-F638 PolarHBondContact NH2-O 2.93Å; R624-S643 VanDerWaalsContact NH1-CA 3.33Å; R624-S643 VanDerWaalsContact NH1-CB 3.33Å; R624-E694 IonicContact CZ-OE2 3.2Å; R624-E694 IonicContact NH2-OE2 2.76Å; R624-E694 PolarHBondContact NH2-OE2 2.79Å
625	E	97.3	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-30.3	-173.9	-66.7	-60.9	124.5	0	0	112.9	Y84 R87 D310 E629	Y84-E625 HydrophobicContact CD1-CB 4.37Å; Y84-E625 HydrophobicContact CD1-CG 4.29Å; Y84-E625 HydrophobicContact CD2-CB 4.25Å; Y84-E625 HydrophobicContact CE1-CB 3.96Å; Y84-E625 HydrophobicContact CE1-CG 3.82Å; Y84-E625 HydrophobicContact CE2-CB 3.83Å; R87-E625 WeakPolarHBondContact CG-OE2 3.45Å; R87-E625 IonicContact CZ-OE1 2.57Å; R87-E625 IonicContact CZ-OE2 3.71Å; R87-E625 IonicContact NE-OE1 3.86Å; R87-E625 PolarHBondContact NE-OE1 2.65Å; R87-E625 IonicContact NE-OE2 2.75Å; R87-E625 PolarHBondContact NE-OE2 3.34Å; R87-E625 IonicContact NH2-OE1 3.34Å; R87-E625 PolarHBondContact NH2-OE1 3.05Å; R87-E625 IonicContact NH2-OE2 3.67Å; D310-E625 PolarHBondContact OD1-N 3.48Å; E625-E629 PolarHBondContact O-N 3.21Å
626	F	96.6	Very high	95.1	Very high	42 Å²	42	41.1 Å²	41.1	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-49.7	175.3	163.8	-97.5	0	0	0	110.7	M177 D310 M311 R624 L628 E629 L630	M177-F626 HydrophobicContact CB-CD2 4.12Å; M177-F626 HydrophobicContact CB-CE2 4.12Å; M177-F626 HydrophobicContact CE-CB 4.34Å; M177-F626 HydrophobicContact CE-CD2 4.41Å; M177-F626 HydrophobicContact CG-CD2 4.01Å; M177-F626 HydrophobicContact CG-CE2 4.46Å; M177-F626 HydrophobicContact SD-CD2 4.02Å; D310-F626 VanDerWaalsContact OD1-CB 3.31Å; D310-F626 WeakPolarHBondContact OD1-CB 3.48Å; D310-F626 PolarHBondContact OD1-N 2.83Å; D310-F626 WeakPolarHBondContact OD2-CB 3.37Å; D310-F626 PolarHBondContact OD2-N 2.91Å; D310-F626 VanDerWaalsContact OD2-N 3.15Å; M311-F626 HydrophobicContact CB-CB 4.09Å; M311-F626 HydrophobicContact CB-CD2 4.16Å; M311-F626 HydrophobicContact CB-CG 4.05Å; M311-F626 HydrophobicContact CG-CD2 3.91Å; M311-F626 HydrophobicContact CG-CE2 4.14Å; M311-F626 HydrophobicContact CG-CG 4.24Å; M311-F626 HydrophobicContact SD-CD2 4.15Å; M311-F626 HydrophobicContact SD-CE2 4.4Å; R624-F626 VanDerWaalsContact C-N 3.33Å; R624-F626 PolarHBondContact O-N 3.34Å; F626-L628 VanDerWaalsContact C-N 3.28Å; F626-L628 PolarHBondContact O-N 3.38Å; F626-E629 WeakPolarHBondContact O-CB 3.46Å; F626-E629 PolarHBondContact O-N 3.16Å; F626-L630 HydrophobicContact CD1-CD1 4.21Å; F626-L630 HydrophobicContact CE1-CD1 3.55Å; F626-L630 HydrophobicContact CE1-CG 4.36Å; F626-L630 HydrophobicContact CE2-CD1 4.22Å; F626-L630 HydrophobicContact CE2-CD2 4.39Å; F626-L630 HydrophobicContact CE2-CG 4.33Å; F626-L630 HydrophobicContact CZ-CD1 3.56Å; F626-L630 HydrophobicContact CZ-CD2 4.43Å; F626-L630 HydrophobicContact CZ-CG 4.17Å; F626-L630 WeakPolarHBondContact O-CG 2.95Å; F626-L630 PolarHBondContact O-N 2.89Å; F626-L630 VanDerWaalsContact O-N 3.09Å
627	F	96.3	Very high	95.2	Very high	11 Å²	11	42.8 Å²	42.8	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-33.4	176.5	-78.1	-78.1	0	0	0	112.7	D310 L416 E434 Y435 R624 L630 T631 F638	D310-F627 HydrophobicContact CB-CD2 4.41Å; D310-F627 WeakPolarHBondContact OD2-CD2 3.29Å; D310-F627 PolarHBondContact OD2-N 3.39Å; L416-F627 HydrophobicContact CB-CE2 4.27Å; L416-F627 HydrophobicContact CB-CZ 4.37Å; L416-F627 HydrophobicContact CD1-CE2 4.27Å; L416-F627 HydrophobicContact CD2-CE2 3.89Å; L416-F627 HydrophobicContact CD2-CZ 4.37Å; L416-F627 HydrophobicContact CG-CE2 4.37Å; E434-F627 HydrophobicContact CG-CE1 4.32Å; Y435-F627 HydrophobicContact CD2-CB 3.71Å; Y435-F627 AromaticContact CD2-CD1 3.87Å; Y435-F627 HydrophobicContact CD2-CD1 3.87Å; Y435-F627 AromaticContact CD2-CD2 3.36Å; Y435-F627 HydrophobicContact CD2-CD2 3.36Å; Y435-F627 HydrophobicContact CD2-CE1 4.33Å; Y435-F627 AromaticContact CD2-CE2 3.91Å; Y435-F627 HydrophobicContact CD2-CE2 3.91Å; Y435-F627 AromaticContact CD2-CG 3.36Å; Y435-F627 HydrophobicContact CD2-CG 3.36Å; Y435-F627 HydrophobicContact CD2-CZ 4.35Å; Y435-F627 HydrophobicContact CE2-CB 4.34Å; Y435-F627 AromaticContact CE2-CD2 3.66Å; Y435-F627 HydrophobicContact CE2-CD2 3.66Å; Y435-F627 HydrophobicContact CE2-CE2 4.19Å; Y435-F627 HydrophobicContact CE2-CG 4.07Å; Y435-F627 HydrophobicContact CG-CB 4.05Å; Y435-F627 HydrophobicContact CG-CD1 4.39Å; Y435-F627 HydrophobicContact CG-CD2 4.46Å; Y435-F627 HydrophobicContact CG-CG 4.06Å; R624-F627 PolarHBondContact O-N 3.35Å; F627-L630 HydrophobicContact CD1-CD1 4.32Å; F627-L630 PolarHBondContact O-N 3.35Å; F627-T631 VanDerWaalsContact O-CG2 3.25Å; F627-T631 WeakPolarHBondContact O-CG2 3.26Å; F627-T631 PolarHBondContact O-N 3.09Å; F627-F638 HydrophobicContact CB-CE2 3.82Å; F627-F638 HydrophobicContact CB-CZ 3.95Å
628	L	96.7	Very high	95.6	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-44.4	173.1	-75.3	173.1	0	0	0	112.2	R624 F626 L630 T631 R635 F638	R624-L628 VanDerWaalsContact O-CG 3.31Å; R624-L628 WeakPolarHBondContact O-CG 3.48Å; R624-L628 PolarHBondContact O-N 3.15Å; F626-L628 VanDerWaalsContact C-N 3.28Å; F626-L628 PolarHBondContact O-N 3.38Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 3.5Å; L628-T631 WeakPolarHBondContact O-CB 3.45Å; L628-T631 PolarHBondContact O-N 3.04Å; L628-T631 VanDerWaalsContact O-N 3.13Å; L628-T631 PolarHBondContact O-OG1 3.14Å; L628-R635 HydrophobicContact CD2-CB 4.07Å; L628-F638 HydrophobicContact CB-CE2 4.46Å; L628-F638 HydrophobicContact CD2-CD2 3.6Å; L628-F638 HydrophobicContact CD2-CE2 3.5Å; L628-F638 HydrophobicContact CD2-CG 4.32Å; L628-F638 HydrophobicContact CD2-CZ 4.12Å; L628-F638 HydrophobicContact CG-CD2 3.97Å; L628-F638 HydrophobicContact CG-CE2 3.67Å
629	E	96.3	Very high	95.7	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-41.8	175.9	-176.9	67.3	-160.5	0	0	111.3	M177 K178 C179 S180 E625 F626 T631 M632	M177-E629 WeakPolarHBondContact O-CG 3.36Å; M177-E629 HydrophobicContact SD-CB 4.22Å; M177-E629 HydrophobicContact SD-CG 4.07Å; K178-E629 HydrophobicContact CD-CG 4.26Å; K178-E629 IonicContact NZ-OE2 3.26Å; C179-E629 WeakPolarHBondContact CA-OE1 3.38Å; C179-E629 WeakPolarHBondContact CB-OE1 3.33Å; C179-E629 PolarHBondContact N-OE1 2.92Å; S180-E629 WeakPolarHBondContact CB-OE2 3.42Å; S180-E629 PolarHBondContact N-OE1 3.26Å; S180-E629 VanDerWaalsContact OG-CD 3.29Å; S180-E629 PolarHBondContact OG-OE1 3.45Å; S180-E629 VanDerWaalsContact OG-OE1 3.13Å; S180-E629 PolarHBondContact OG-OE2 3.22Å; E625-E629 PolarHBondContact O-N 3.21Å; F626-E629 WeakPolarHBondContact O-CB 3.46Å; F626-E629 PolarHBondContact O-N 3.16Å; E629-T631 PolarHBondContact O-N 3.39Å; E629-M632 PolarHBondContact O-N 3.33Å
630	L	94.5	Very high	95.8	Very high	76 Å²	76	43 Å²	43	40%	0.398	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-23.2	177.5	-67.5	-175.9	0	0	0	113.7	F626 F627 L628 M632	F626-L630 HydrophobicContact CD1-CD1 4.21Å; F626-L630 HydrophobicContact CE1-CD1 3.55Å; F626-L630 HydrophobicContact CE1-CG 4.36Å; F626-L630 HydrophobicContact CE2-CD1 4.22Å; F626-L630 HydrophobicContact CE2-CD2 4.39Å; F626-L630 HydrophobicContact CE2-CG 4.33Å; F626-L630 HydrophobicContact CZ-CD1 3.56Å; F626-L630 HydrophobicContact CZ-CD2 4.43Å; F626-L630 HydrophobicContact CZ-CG 4.17Å; F626-L630 WeakPolarHBondContact O-CG 2.95Å; F626-L630 PolarHBondContact O-N 2.89Å; F626-L630 VanDerWaalsContact O-N 3.09Å; F627-L630 HydrophobicContact CD1-CD1 4.32Å; F627-L630 PolarHBondContact O-N 3.35Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 3.5Å; L630-M632 PolarHBondContact O-N 3.22Å
631	T	94.7	Very high	95.8	Very high	19 Å²	19	45.2 Å²	45.2	12%	0.117	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-6.4	174.2	78.1	0	0	0	0	113.4	F627 L628 E629 G633 R634 R635 F638	F627-T631 VanDerWaalsContact O-CG2 3.25Å; F627-T631 WeakPolarHBondContact O-CG2 3.26Å; F627-T631 PolarHBondContact O-N 3.09Å; L628-T631 WeakPolarHBondContact O-CB 3.45Å; L628-T631 PolarHBondContact O-N 3.04Å; L628-T631 VanDerWaalsContact O-N 3.13Å; L628-T631 PolarHBondContact O-OG1 3.14Å; E629-T631 PolarHBondContact O-N 3.39Å; T631-G633 PolarHBondContact O-N 3.31Å; T631-G633 VanDerWaalsContact O-N 3.16Å; T631-R634 VanDerWaalsContact O-CB 3.23Å; T631-R634 WeakPolarHBondContact O-CB 3.3Å; T631-R634 PolarHBondContact O-N 3.37Å; T631-R635 HydrophobicContact CG2-CB 3.94Å; T631-R635 HydrophobicContact CG2-CG 3.96Å; T631-R635 PolarHBondContact OG1-N 3.07Å; T631-F638 HydrophobicContact CG2-CE1 4.04Å; T631-F638 HydrophobicContact CG2-CZ 3.75Å
632	M	93.3	Very high	95.8	Very high	144 Å²	144	45.3 Å²	45.3	71%	0.709	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.6	179.1	-61.6	-178.9	-74	0	0	113	R91 E629 L630	R91-M632 VanDerWaalsContact CZ-C 3.44Å; R91-M632 PolarHBondContact NH1-O 3.3Å; R91-M632 PolarHBondContact NH2-O 3.47Å; E629-M632 PolarHBondContact O-N 3.33Å; L630-M632 PolarHBondContact O-N 3.22Å
633	G	91.7	Very high	95.8	Very high	45 Å²	45	45.2 Å²	45.2	46%	0.464	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	8.5	178.5	0	0	0	0	0	115	T631 R635	T631-G633 PolarHBondContact O-N 3.31Å; T631-G633 VanDerWaalsContact O-N 3.16Å; G633-R635 VanDerWaalsContact C-N 3.35Å
634	R	93.1	Very high	95.7	Very high	168 Å²	168	45.3 Å²	45.3	63%	0.634	22%	0.224	S	C	*	.	S	Bend	trans	-68	-36.2	170.6	-173.8	-178.4	73.2	166.8	2.8	111.7	E433 T631	E433-R634 VanDerWaalsContact CB-NH2 3.26Å; E433-R634 IonicContact OE1-NH2 3.67Å; E433-R634 IonicContact OE2-CZ 3.5Å; E433-R634 IonicContact OE2-NH2 3.39Å; E433-R634 PolarHBondContact OE2-NH2 3.47Å; T631-R634 VanDerWaalsContact O-CB 3.23Å; T631-R634 WeakPolarHBondContact O-CB 3.3Å; T631-R634 PolarHBondContact O-N 3.37Å
635	R	93.3	Very high	95.7	Very high	91 Å²	91	45.3 Å²	45.3	34%	0.343	22%	0.224	S	C	.	.			trans	-113.2	133.6	175.9	-65.8	-69.7	-168.3	176.2	0.2	109.2	E433 L628 T631 G633 F638	E433-R635 IonicContact OE1-CZ 3.47Å; E433-R635 IonicContact OE1-NE 3.46Å; E433-R635 PolarHBondContact OE1-NE 3.45Å; E433-R635 IonicContact OE1-NH2 2.71Å; E433-R635 PolarHBondContact OE1-NH2 3.23Å; E433-R635 IonicContact OE2-NE 3.7Å; L628-R635 HydrophobicContact CD2-CB 4.07Å; T631-R635 HydrophobicContact CG2-CB 3.94Å; T631-R635 HydrophobicContact CG2-CG 3.96Å; T631-R635 PolarHBondContact OG1-N 3.07Å; G633-R635 VanDerWaalsContact C-N 3.35Å; R635-F638 HydrophobicContact CG-CD1 4.29Å; R635-F638 HydrophobicContact CG-CE1 4.08Å
636	I	94.1	Very high	95.8	Very high	136 Å²	136	45.4 Å²	45.4	70%	0.697	22%	0.224	S	C	*	.	S	Bend	trans	-87.6	-31.8	165.6	-169.2	61.5	0	0	0	111
637	Q	96.2	Very high	95.9	Very high	37 Å²	37	44 Å²	44	17%	0.173	22%	0.219	C	C	.	.	S	Bend	trans	-154	159	171.4	-169.2	47.1	-83.1	0	0	108.7	E690	Q637-E690 PolarHBondContact NE2-OE2 3.38Å
638	F	97.1	Very high	95.9	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	22%	0.216	C	C	.	.			trans	-86.8	149.5	172	-65.9	-73.2	0	0	0	111.4	Y435 R624 F627 L628 T631 R635 M642	Y435-F638 HydrophobicContact CD1-CB 4.26Å; Y435-F638 AromaticContact CD1-CD1 3.87Å; Y435-F638 HydrophobicContact CD1-CD1 3.87Å; Y435-F638 AromaticContact CD1-CD2 3.62Å; Y435-F638 HydrophobicContact CD1-CD2 3.62Å; Y435-F638 HydrophobicContact CD1-CE1 4.06Å; Y435-F638 AromaticContact CD1-CE2 3.79Å; Y435-F638 HydrophobicContact CD1-CE2 3.79Å; Y435-F638 AromaticContact CD1-CG 3.65Å; Y435-F638 HydrophobicContact CD1-CG 3.65Å; Y435-F638 HydrophobicContact CD1-CZ 4.01Å; Y435-F638 HydrophobicContact CE1-CB 4.34Å; Y435-F638 AromaticContact CE1-CD2 3.87Å; Y435-F638 HydrophobicContact CE1-CD2 3.87Å; Y435-F638 HydrophobicContact CE1-CE2 4.31Å; Y435-F638 HydrophobicContact CE1-CG 4.07Å; Y435-F638 HydrophobicContact CG-CD2 4.32Å; Y435-F638 HydrophobicContact CG-CE1 4.28Å; Y435-F638 HydrophobicContact CG-CE2 4.01Å; Y435-F638 HydrophobicContact CG-CZ 4Å; R624-F638 HydrophobicContact CB-CD2 4.35Å; R624-F638 HydrophobicContact CB-CE2 4.47Å; R624-F638 HydrophobicContact CG-CD2 3.88Å; R624-F638 HydrophobicContact CG-CE2 4.41Å; R624-F638 PolarHBondContact NH2-O 2.93Å; F627-F638 HydrophobicContact CB-CE2 3.82Å; F627-F638 HydrophobicContact CB-CZ 3.95Å; L628-F638 HydrophobicContact CB-CE2 4.46Å; L628-F638 HydrophobicContact CD2-CD2 3.6Å; L628-F638 HydrophobicContact CD2-CE2 3.5Å; L628-F638 HydrophobicContact CD2-CG 4.32Å; L628-F638 HydrophobicContact CD2-CZ 4.12Å; L628-F638 HydrophobicContact CG-CD2 3.97Å; L628-F638 HydrophobicContact CG-CE2 3.67Å; T631-F638 HydrophobicContact CG2-CE1 4.04Å; T631-F638 HydrophobicContact CG2-CZ 3.75Å; R635-F638 HydrophobicContact CG-CD1 4.29Å; R635-F638 HydrophobicContact CG-CE1 4.08Å; F638-M642 HydrophobicContact CB-CB 4.28Å; F638-M642 HydrophobicContact CB-SD 4.22Å; F638-M642 HydrophobicContact CD1-SD 3.71Å; F638-M642 HydrophobicContact CG-SD 4.32Å
639	P	97.3	Very high	96	Very high	34 Å²	34	43 Å²	43	22%	0.221	21%	0.214	C	C	.	.			trans	-73.6	165.1	178	35.6	-39.4	0	0	0	112	E641 M642	P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 WeakPolarHBondContact CB-OE1 3.32Å; P639-E641 WeakPolarHBondContact CB-OE2 3.48Å; P639-E641 HydrophobicContact CG-CG 4.26Å; P639-E641 WeakPolarHBondContact CG-OE1 3.3Å; P639-E641 PolarHBondContact O-N 2.87Å; P639-M642 HydrophobicContact CG-CE 3.71Å; P639-M642 HydrophobicContact CG-CG 4.11Å; P639-M642 HydrophobicContact CG-SD 4.06Å; P639-M642 PolarHBondContact O-N 3.26Å
640	I	97.1	Very high	96	Very high	24 Å²	24	43.3 Å²	43.3	12%	0.123	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29.3	-170.3	66	177.1	0	0	0	113.2	M642 S643 W646 E694 L697 Q701	I640-M642 PolarHBondContact O-N 3.34Å; I640-M642 VanDerWaalsContact O-N 3.15Å; I640-S643 VanDerWaalsContact O-CB 3.26Å; I640-S643 WeakPolarHBondContact O-CB 3.06Å; I640-S643 PolarHBondContact O-N 2.82Å; I640-W646 HydrophobicContact CB-CG 4.22Å; I640-E694 HydrophobicContact CG2-CG 3.84Å; I640-L697 HydrophobicContact CD1-CD2 4.09Å; I640-L697 HydrophobicContact CD1-CG 4.39Å; I640-L697 HydrophobicContact CG2-CD2 4.11Å; I640-Q701 VanDerWaalsContact CD1-NE2 3.32Å
641	E	95.5	Very high	96.2	Very high	76 Å²	76	41 Å²	41	36%	0.355	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-66.8	-11.4	176	64.3	-88	-163.9	0	0	114	R440 P639 I647	R440-E641 WeakPolarHBondContact CB-O 2.99Å; R440-E641 WeakPolarHBondContact CD-O 3.33Å; R440-E641 WeakPolarHBondContact CG-O 3.42Å; P639-E641 VanDerWaalsContact C-N 3.27Å; P639-E641 WeakPolarHBondContact CB-OE1 3.32Å; P639-E641 WeakPolarHBondContact CB-OE2 3.48Å; P639-E641 HydrophobicContact CG-CG 4.26Å; P639-E641 WeakPolarHBondContact CG-OE1 3.3Å; P639-E641 PolarHBondContact O-N 2.87Å; E641-I647 WeakPolarHBondContact O-CD1 3.09Å; E641-I647 VanDerWaalsContact O-CG1 3.25Å; E641-I647 WeakPolarHBondContact O-CG1 3.22Å
642	M	97.6	Very high	96.3	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.02	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-101.1	-4.7	171.9	-57.2	-177.4	-164.4	0	0	112.6	E433 Y435 E436 T439 F638 P639 I640	E433-M642 HydrophobicContact CG-CE 4.13Å; E433-M642 HydrophobicContact CG-SD 4.33Å; Y435-M642 HydrophobicContact CD1-CB 4.04Å; Y435-M642 HydrophobicContact CD1-SD 4.4Å; Y435-M642 HydrophobicContact CE1-CB 4.07Å; Y435-M642 WeakPolarHBondContact CE1-O 3.37Å; E436-M642 HydrophobicContact CB-CE 3.79Å; E436-M642 HydrophobicContact CB-CG 4.06Å; E436-M642 HydrophobicContact CB-SD 3.8Å; E436-M642 HydrophobicContact CG-CE 3.9Å; E436-M642 HydrophobicContact CG-CG 3.96Å; E436-M642 HydrophobicContact CG-SD 4.24Å; T439-M642 PolarHBondContact OG1-O 2.77Å; T439-M642 VanDerWaalsContact OG1-O 3.12Å; F638-M642 HydrophobicContact CB-CB 4.28Å; F638-M642 HydrophobicContact CB-SD 4.22Å; F638-M642 HydrophobicContact CD1-SD 3.71Å; F638-M642 HydrophobicContact CG-SD 4.32Å; P639-M642 HydrophobicContact CG-CE 3.71Å; P639-M642 HydrophobicContact CG-CG 4.11Å; P639-M642 HydrophobicContact CG-SD 4.06Å; P639-M642 PolarHBondContact O-N 3.26Å; I640-M642 PolarHBondContact O-N 3.34Å; I640-M642 VanDerWaalsContact O-N 3.15Å
643	S	97.7	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.			trans	-85.8	122.7	-177.8	-166.4	0	0	0	0	111.6	R624 I640 W646 I647 E694	R624-S643 VanDerWaalsContact NH1-CA 3.33Å; R624-S643 VanDerWaalsContact NH1-CB 3.33Å; I640-S643 VanDerWaalsContact O-CB 3.26Å; I640-S643 WeakPolarHBondContact O-CB 3.06Å; I640-S643 PolarHBondContact O-N 2.82Å; S643-W646 PolarHBondContact O-N 2.96Å; S643-W646 VanDerWaalsContact O-N 3.17Å; S643-I647 WeakPolarHBondContact O-CB 3.37Å; S643-I647 VanDerWaalsContact O-CG1 3.23Å; S643-I647 WeakPolarHBondContact O-CG1 3.4Å; S643-I647 PolarHBondContact O-N 2.95Å; S643-E694 WeakPolarHBondContact CB-OE1 3.38Å; S643-E694 PolarHBondContact OG-OE1 3.18Å
644	M	97	Very high	96.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-46.3	-175.4	-70.6	-60.4	-60.5	0	0	114	Y412 T439 Y443 L621 W646 I647 L648	Y412-M644 HydrophobicContact CD2-CE 4.46Å; Y412-M644 HydrophobicContact CD2-CG 4.22Å; Y412-M644 HydrophobicContact CE2-CG 3.66Å; Y412-M644 HydrophobicContact CE2-SD 4.32Å; T439-M644 HydrophobicContact CG2-CG 4.25Å; T439-M644 HydrophobicContact CG2-SD 3.93Å; Y443-M644 HydrophobicContact CD2-CE 4.2Å; Y443-M644 HydrophobicContact CD2-SD 4.45Å; Y443-M644 HydrophobicContact CE2-CE 3.59Å; Y443-M644 HydrophobicContact CE2-SD 3.77Å; L621-M644 HydrophobicContact CB-CB 4.21Å; L621-M644 WeakPolarHBondContact O-CB 3.23Å; M644-W646 VanDerWaalsContact C-N 3.28Å; M644-W646 PolarHBondContact O-N 3.31Å; M644-I647 PolarHBondContact O-N 3.1Å; M644-I647 HydrophobicContact SD-CD1 4.14Å; M644-L648 WeakPolarHBondContact O-CG 3.25Å; M644-L648 PolarHBondContact O-N 2.84Å; M644-L648 VanDerWaalsContact O-N 3.14Å
645	P	97.5	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.2	-42.5	176.3	-26.9	36.2	0	0	0	112.8	W622 T649 L670 Y671	W622-P645 HydrophobicContact CB-CG 4.21Å; P645-T649 WeakPolarHBondContact O-CB 3.5Å; P645-T649 PolarHBondContact O-N 3.46Å; P645-T649 VanDerWaalsContact O-N 3.12Å; P645-T649 PolarHBondContact O-OG1 2.95Å; P645-L670 HydrophobicContact CB-CB 4.2Å; P645-L670 HydrophobicContact CB-CD1 4.41Å; P645-L670 HydrophobicContact CG-CB 4.04Å; P645-L670 HydrophobicContact CG-CD1 4.37Å; P645-Y671 HydrophobicContact CB-CD1 4.4Å; P645-Y671 HydrophobicContact CB-CD2 4.22Å; P645-Y671 HydrophobicContact CB-CE1 3.97Å; P645-Y671 HydrophobicContact CB-CE2 3.76Å; P645-Y671 HydrophobicContact CG-CD1 4.49Å; P645-Y671 HydrophobicContact CG-CE1 4.2Å
646	W	98.1	Very high	96.9	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-74	-42.3	178.9	-172.3	-116.7	0	0	0	113	I640 S643 M644 L648 T649 D650 L653 C698 Q701 F702	I640-W646 HydrophobicContact CB-CG 4.22Å; S643-W646 PolarHBondContact O-N 2.96Å; S643-W646 VanDerWaalsContact O-N 3.17Å; M644-W646 VanDerWaalsContact C-N 3.28Å; M644-W646 PolarHBondContact O-N 3.31Å; W646-L648 PolarHBondContact O-N 3.26Å; W646-T649 HydrophobicContact CE3-CG2 4.29Å; W646-T649 HydrophobicContact CZ3-CG2 4.07Å; W646-T649 PolarHBondContact O-N 2.96Å; W646-D650 HydrophobicContact CD2-CB 4.04Å; W646-D650 HydrophobicContact CG-CB 4.44Å; W646-D650 HydrophobicContact CH2-CB 4.43Å; W646-D650 HydrophobicContact CZ2-CB 3.89Å; W646-D650 VanDerWaalsContact CZ2-OD1 3.3Å; W646-D650 WeakPolarHBondContact CZ2-OD1 3.48Å; W646-D650 WeakPolarHBondContact O-CB 3.38Å; W646-D650 PolarHBondContact O-N 2.95Å; W646-L653 HydrophobicContact CH2-CD1 4.34Å; W646-C698 HydrophobicContact CD2-CB 3.99Å; W646-C698 VanDerWaalsContact CD2-SG 3.53Å; W646-C698 HydrophobicContact CE3-CB 3.48Å; W646-C698 VanDerWaalsContact CE3-CB 3.48Å; W646-C698 HydrophobicContact CH2-CB 4.35Å; W646-C698 VanDerWaalsContact CH2-O 3.29Å; W646-C698 WeakPolarHBondContact CH2-O 3.25Å; W646-C698 HydrophobicContact CZ3-CB 3.69Å; W646-C698 VanDerWaalsContact CZ3-O 3.27Å; W646-C698 WeakPolarHBondContact CZ3-O 3.23Å; W646-Q701 HydrophobicContact CH2-CB 3.74Å; W646-Q701 HydrophobicContact CZ2-CB 3.85Å; W646-F702 HydrophobicContact CZ3-CB 4.4Å
647	I	98	Very high	96.9	Very high	13 Å²	13	28 Å²	28	7%	0.067	14%	0.141	C	C	.	.	H	α-helix	trans	-52.9	-43.4	176.3	-71.5	162	0	0	0	110.8	R440 K448 E641 S643 M644 H651	R440-I647 HydrophobicContact CB-CD1 4.19Å; K448-I647 HydrophobicContact CD-CG2 4.23Å; E641-I647 WeakPolarHBondContact O-CD1 3.09Å; E641-I647 VanDerWaalsContact O-CG1 3.25Å; E641-I647 WeakPolarHBondContact O-CG1 3.22Å; S643-I647 WeakPolarHBondContact O-CB 3.37Å; S643-I647 VanDerWaalsContact O-CG1 3.23Å; S643-I647 WeakPolarHBondContact O-CG1 3.4Å; S643-I647 PolarHBondContact O-N 2.95Å; M644-I647 PolarHBondContact O-N 3.1Å; M644-I647 HydrophobicContact SD-CD1 4.14Å; I647-H651 WeakPolarHBondContact O-CB 3.37Å; I647-H651 PolarHBondContact O-N 3.2Å
648	L	97.8	Very high	96.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-73.3	-43	-179.4	-64.3	176.6	0	0	0	112.1	K448 L451 V452 M455 M644 W646 P667	K448-L648 HydrophobicContact CB-CD2 3.96Å; K448-L648 HydrophobicContact CG-CD2 4.12Å; L451-L648 HydrophobicContact CB-CD2 4.35Å; L451-L648 HydrophobicContact CD1-CD2 4.36Å; V452-L648 HydrophobicContact CG2-CB 3.86Å; V452-L648 HydrophobicContact CG2-CD2 4.28Å; V452-L648 HydrophobicContact CG2-CG 4.44Å; M455-L648 HydrophobicContact CE-CD1 3.6Å; M455-L648 HydrophobicContact SD-CD1 3.77Å; M644-L648 WeakPolarHBondContact O-CG 3.25Å; M644-L648 PolarHBondContact O-N 2.84Å; M644-L648 VanDerWaalsContact O-N 3.14Å; W646-L648 PolarHBondContact O-N 3.26Å; L648-P667 HydrophobicContact CB-CB 4.04Å; L648-P667 HydrophobicContact CB-CG 4.42Å
649	T	97.5	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-51.3	179.3	-54.8	0	0	0	0	111.4	P645 W646 H651 I652 L653 V664 P667 L668 F702	P645-T649 WeakPolarHBondContact O-CB 3.5Å; P645-T649 PolarHBondContact O-N 3.46Å; P645-T649 VanDerWaalsContact O-N 3.12Å; P645-T649 PolarHBondContact O-OG1 2.95Å; W646-T649 HydrophobicContact CE3-CG2 4.29Å; W646-T649 HydrophobicContact CZ3-CG2 4.07Å; W646-T649 PolarHBondContact O-N 2.96Å; T649-H651 VanDerWaalsContact C-N 3.3Å; T649-H651 PolarHBondContact O-N 3.41Å; T649-I652 PolarHBondContact O-N 3.36Å; T649-L653 HydrophobicContact CG2-CD1 4.48Å; T649-L653 PolarHBondContact O-N 3.39Å; T649-V664 HydrophobicContact CG2-CG2 3.98Å; T649-P667 WeakPolarHBondContact OG1-CB 3.37Å; T649-L668 HydrophobicContact CG2-CD1 4.26Å; T649-F702 HydrophobicContact CG2-CD2 3.91Å; T649-F702 HydrophobicContact CG2-CE2 4.34Å
650	D	97.6	Very high	96.4	Very high	27 Å²	27	28.8 Å²	28.8	14%	0.144	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-33.2	-174	-160.6	42	0	0	0	112	W646 I652 L653 D654 K705	W646-D650 HydrophobicContact CD2-CB 4.04Å; W646-D650 HydrophobicContact CG-CB 4.44Å; W646-D650 HydrophobicContact CH2-CB 4.43Å; W646-D650 HydrophobicContact CZ2-CB 3.89Å; W646-D650 VanDerWaalsContact CZ2-OD1 3.3Å; W646-D650 WeakPolarHBondContact CZ2-OD1 3.48Å; W646-D650 WeakPolarHBondContact O-CB 3.38Å; W646-D650 PolarHBondContact O-N 2.95Å; D650-I652 VanDerWaalsContact C-N 3.29Å; D650-I652 PolarHBondContact O-N 3.27Å; D650-L653 PolarHBondContact O-N 3.35Å; D650-L653 VanDerWaalsContact O-N 3.12Å; D650-D654 WeakPolarHBondContact O-CB 3.34Å; D650-D654 PolarHBondContact O-N 3.36Å; D650-K705 VanDerWaalsContact CG-NZ 3.27Å; D650-K705 WeakPolarHBondContact OD1-CE 3.41Å; D650-K705 IonicContact OD1-NZ 3.92Å; D650-K705 PolarHBondContact OD1-NZ 2.93Å; D650-K705 IonicContact OD2-NZ 2.68Å; D650-K705 PolarHBondContact OD2-NZ 3.3Å; D650-K705 VanDerWaalsContact OD2-NZ 3.16Å
651	H	97.8	Very high	96.3	Very high	28 Å²	28	27.7 Å²	27.7	13%	0.13	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-38.7	175.8	-174.4	73.1	0	0	0	112.2	S445 K448 F449 I647 T649 T655	S445-H651 PolarHBondContact OG-CE1 3.07Å; S445-H651 VanDerWaalsContact OG-CE1 3.26Å; S445-H651 PolarHBondContact OG-NE2 2.97Å; K448-H651 HydrophobicContact CD-CB 3.99Å; F449-H651 AromaticContact CD1-CD2 3.83Å; F449-H651 AromaticContact CE1-CD2 3.34Å; F449-H651 WeakPolarHBondContact CE1-CD2 3.4Å; F449-H651 AromaticContact CE1-NE2 3.6Å; F449-H651 AromaticContact CE2-NE2 3.81Å; F449-H651 AromaticContact CZ-CD2 3.65Å; F449-H651 AromaticContact CZ-NE2 3.38Å; F449-H651 WeakPolarHBondContact CZ-NE2 3.37Å; I647-H651 WeakPolarHBondContact O-CB 3.37Å; I647-H651 PolarHBondContact O-N 3.2Å; T649-H651 VanDerWaalsContact C-N 3.3Å; T649-H651 PolarHBondContact O-N 3.41Å; H651-T655 WeakPolarHBondContact O-CB 3.42Å; H651-T655 VanDerWaalsContact O-CG2 3.28Å; H651-T655 WeakPolarHBondContact O-CG2 3.42Å; H651-T655 PolarHBondContact O-N 2.9Å; H651-T655 PolarHBondContact O-OG1 3.4Å
652	I	97.5	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68	-41.4	175.3	-62.6	170.6	0	0	0	110.8	F449 V452 T649 D650 T655 K656 M660 M661 V664	F449-I652 HydrophobicContact CD1-CG1 4.33Å; F449-I652 HydrophobicContact CE1-CG1 4.14Å; V452-I652 HydrophobicContact CB-CD1 4.4Å; V452-I652 HydrophobicContact CG1-CD1 3.86Å; V452-I652 HydrophobicContact CG2-CD1 4.17Å; T649-I652 PolarHBondContact O-N 3.36Å; D650-I652 VanDerWaalsContact C-N 3.29Å; D650-I652 PolarHBondContact O-N 3.27Å; I652-T655 PolarHBondContact O-OG1 3.1Å; I652-K656 WeakPolarHBondContact O-CA 3.44Å; I652-K656 PolarHBondContact O-N 3.26Å; I652-M660 HydrophobicContact CD1-CB 4.12Å; I652-M660 HydrophobicContact CG1-CB 4.04Å; I652-M660 HydrophobicContact CG2-CB 4.1Å; I652-M661 HydrophobicContact CG2-CE 4.3Å; I652-V664 HydrophobicContact CB-CB 4.5Å; I652-V664 HydrophobicContact CB-CG2 4Å; I652-V664 HydrophobicContact CD1-CB 4.24Å; I652-V664 HydrophobicContact CD1-CG2 4.24Å; I652-V664 HydrophobicContact CG2-CB 4.08Å; I652-V664 HydrophobicContact CG2-CG2 4Å
653	L	96	Very high	96.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-38.6	179.8	-63.6	174.9	0	0	0	112.7	W646 T649 D650 K656 V664 F702 K705 L706	W646-L653 HydrophobicContact CH2-CD1 4.34Å; T649-L653 HydrophobicContact CG2-CD1 4.48Å; T649-L653 PolarHBondContact O-N 3.39Å; D650-L653 PolarHBondContact O-N 3.35Å; D650-L653 VanDerWaalsContact O-N 3.12Å; L653-K656 WeakPolarHBondContact O-CG 3.5Å; L653-V664 HydrophobicContact CD2-CG2 4.3Å; L653-V664 HydrophobicContact CG-CG2 4.38Å; L653-F702 HydrophobicContact CD1-CB 4.34Å; L653-F702 HydrophobicContact CD1-CD2 3.8Å; L653-F702 HydrophobicContact CD1-CG 4.39Å; L653-F702 HydrophobicContact CD2-CD2 4.29Å; L653-F702 HydrophobicContact CD2-CE2 4.28Å; L653-F702 HydrophobicContact CG-CD2 4.48Å; L653-K705 HydrophobicContact CB-CB 4.29Å; L653-K705 HydrophobicContact CB-CD 4.16Å; L653-K705 HydrophobicContact CD1-CB 4.27Å; L653-K705 HydrophobicContact CD1-CD 4.37Å; L653-L706 HydrophobicContact CD2-CB 4.34Å
654	D	95.5	Very high	95.9	Very high	96 Å²	96	30 Å²	30	51%	0.513	16%	0.155	S	C	.	.	H	α-helix	trans	-76.3	-42.3	-178.7	-83	-6.7	0	0	0	112.2	D650 K656 K705	D650-D654 WeakPolarHBondContact O-CB 3.34Å; D650-D654 PolarHBondContact O-N 3.36Å; D654-K656 VanDerWaalsContact C-N 3.34Å; D654-K705 IonicContact OD1-NZ 2.99Å; D654-K705 PolarHBondContact OD1-NZ 3.47Å; D654-K705 IonicContact OD2-NZ 3.22Å; D654-K705 PolarHBondContact OD2-NZ 3.47Å
655	T	95.7	Very high	95.8	Very high	60 Å²	60	30.1 Å²	30.1	37%	0.368	16%	0.156	S	C	.	.	H	α-helix	trans	-75.6	-24.5	177.2	58.2	0	0	0	0	112.9	F449 H651 I652 E657	F449-T655 HydrophobicContact CZ-CG2 4.21Å; F449-T655 WeakPolarHBondContact CZ-OG1 3.37Å; H651-T655 WeakPolarHBondContact O-CB 3.42Å; H651-T655 VanDerWaalsContact O-CG2 3.28Å; H651-T655 WeakPolarHBondContact O-CG2 3.42Å; H651-T655 PolarHBondContact O-N 2.9Å; H651-T655 PolarHBondContact O-OG1 3.4Å; I652-T655 PolarHBondContact O-OG1 3.1Å; T655-E657 PolarHBondContact O-N 3.31Å
656	K	96	Very high	95.5	Very high	103 Å²	103	31.1 Å²	31.1	45%	0.448	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	32.1	-176.8	-47.5	176.7	-177.1	175.1	0	112	I652 L653 D654 A658 Q709 N744	I652-K656 WeakPolarHBondContact O-CA 3.44Å; I652-K656 PolarHBondContact O-N 3.26Å; L653-K656 WeakPolarHBondContact O-CG 3.5Å; D654-K656 VanDerWaalsContact C-N 3.34Å; K656-A658 PolarHBondContact O-N 3.28Å; K656-Q709 HydrophobicContact CD-CB 4.28Å; K656-N744 PolarHBondContact O-ND2 3.29Å
657	E	94.4	Very high	95.3	Very high	68 Å²	68	30.9 Å²	30.9	32%	0.318	16%	0.159	S	C	.	.			trans	-64.3	116.5	-173.4	177.4	46.5	-124.8	0	0	111.1	F449 T655 S659 M660 M661	F449-E657 HydrophobicContact CE1-CB 3.98Å; F449-E657 HydrophobicContact CE1-CG 4.24Å; F449-E657 HydrophobicContact CE2-CB 4.45Å; F449-E657 HydrophobicContact CE2-CG 4.23Å; F449-E657 HydrophobicContact CZ-CB 3.7Å; F449-E657 HydrophobicContact CZ-CG 3.91Å; T655-E657 PolarHBondContact O-N 3.31Å; E657-S659 VanDerWaalsContact C-N 3.32Å; E657-S659 WeakPolarHBondContact CG-OG 3.28Å; E657-S659 PolarHBondContact O-N 3.46Å; E657-S659 WeakPolarHBondContact OE1-CB 3.34Å; E657-S659 PolarHBondContact OE1-N 3.14Å; E657-S659 PolarHBondContact OE1-OG 3.23Å; E657-M660 HydrophobicContact CB-CB 4.18Å; E657-M660 HydrophobicContact CB-CG 4.38Å; E657-M660 HydrophobicContact CG-CB 3.96Å; E657-M660 HydrophobicContact CG-CG 3.72Å; E657-M660 PolarHBondContact O-N 3.43Å; E657-M660 VanDerWaalsContact O-N 3.15Å; E657-M661 PolarHBondContact O-N 3.35Å; E657-M661 VanDerWaalsContact O-N 3.12Å
658	A	92.6	Very high	95.1	Very high	21 Å²	21	30.5 Å²	30.5	17%	0.174	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.1	-171.2	0	0	0	0	0	113.1	K656 M660 S743 N744	K656-A658 PolarHBondContact O-N 3.28Å; A658-M660 VanDerWaalsContact C-N 3.27Å; A658-M660 PolarHBondContact O-N 2.92Å; A658-S743 VanDerWaalsContact CB-O 3.3Å; A658-S743 WeakPolarHBondContact CB-O 3.38Å; A658-N744 WeakPolarHBondContact CA-OD1 3.48Å; A658-N744 HydrophobicContact CB-CB 4.34Å
659	S	93.4	Very high	94.8	Very high	67 Å²	67	31.1 Å²	31.1	47%	0.469	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.1	177.3	60.6	0	0	0	0	112.8	E657 Y663	E657-S659 VanDerWaalsContact C-N 3.32Å; E657-S659 WeakPolarHBondContact CG-OG 3.28Å; E657-S659 PolarHBondContact O-N 3.46Å; E657-S659 WeakPolarHBondContact OE1-CB 3.34Å; E657-S659 PolarHBondContact OE1-N 3.14Å; E657-S659 PolarHBondContact OE1-OG 3.23Å; S659-Y663 WeakPolarHBondContact O-CD2 3.42Å; S659-Y663 VanDerWaalsContact O-CE2 3.29Å; S659-Y663 WeakPolarHBondContact O-CE2 3.31Å
660	M	94.6	Very high	94.6	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.039	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-11.9	-175	-64.6	-62.9	123.7	0	0	113.9	F449 E453 I652 E657 A658 E662 Y663 V664	F449-M660 HydrophobicContact CB-CG 4.21Å; F449-M660 HydrophobicContact CB-SD 4.12Å; F449-M660 HydrophobicContact CD1-CB 4.21Å; F449-M660 HydrophobicContact CD1-CG 3.55Å; F449-M660 HydrophobicContact CD1-SD 4.38Å; F449-M660 HydrophobicContact CE1-CB 4.34Å; F449-M660 HydrophobicContact CE1-CG 4.01Å; F449-M660 HydrophobicContact CG-CG 3.95Å; F449-M660 HydrophobicContact CG-SD 4.5Å; E453-M660 HydrophobicContact CG-CE 3.7Å; E453-M660 HydrophobicContact CG-SD 3.79Å; E453-M660 WeakPolarHBondContact OE1-CE 3.31Å; I652-M660 HydrophobicContact CD1-CB 4.12Å; I652-M660 HydrophobicContact CG1-CB 4.04Å; I652-M660 HydrophobicContact CG2-CB 4.1Å; E657-M660 HydrophobicContact CB-CB 4.18Å; E657-M660 HydrophobicContact CB-CG 4.38Å; E657-M660 HydrophobicContact CG-CB 3.96Å; E657-M660 HydrophobicContact CG-CG 3.72Å; E657-M660 PolarHBondContact O-N 3.43Å; E657-M660 VanDerWaalsContact O-N 3.15Å; A658-M660 VanDerWaalsContact C-N 3.27Å; A658-M660 PolarHBondContact O-N 2.92Å; M660-E662 VanDerWaalsContact C-N 3.27Å; M660-E662 PolarHBondContact O-N 2.73Å; M660-Y663 HydrophobicContact CE-CE2 4.47Å; M660-Y663 WeakPolarHBondContact O-CA 3.32Å; M660-Y663 WeakPolarHBondContact O-CB 3.48Å; M660-Y663 PolarHBondContact O-N 3.02Å; M660-Y663 HydrophobicContact SD-CD2 4.21Å; M660-V664 PolarHBondContact O-N 2.89Å
661	M	94.5	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.8	-33.4	-174.6	-165.2	58.6	58.9	0	0	113.5	I652 E657 Y663 V664 L706 R745 Y746 L749	I652-M661 HydrophobicContact CG2-CE 4.3Å; E657-M661 PolarHBondContact O-N 3.35Å; E657-M661 VanDerWaalsContact O-N 3.12Å; M661-Y663 PolarHBondContact O-N 3.36Å; M661-V664 WeakPolarHBondContact O-CG1 3.28Å; M661-L706 HydrophobicContact SD-CD1 4.17Å; M661-R745 HydrophobicContact CB-CB 4.48Å; M661-Y746 HydrophobicContact CE-CD1 4.35Å; M661-Y746 HydrophobicContact CE-CE1 3.53Å; M661-Y746 HydrophobicContact CG-CD1 3.66Å; M661-Y746 HydrophobicContact CG-CE1 3.82Å; M661-Y746 HydrophobicContact SD-CD1 3.84Å; M661-Y746 HydrophobicContact SD-CE1 3.56Å; M661-Y746 VanDerWaalsContact SD-CE1 3.56Å; M661-L749 HydrophobicContact CG-CD1 3.75Å; M661-L749 HydrophobicContact SD-CD1 3.69Å
662	E	93.6	Very high	94.3	Very high	51 Å²	51	29.7 Å²	29.7	24%	0.238	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-73.6	-11.2	176.2	-57.6	-169.8	173.7	0	0	113	M660 R745 T748	M660-E662 VanDerWaalsContact C-N 3.27Å; M660-E662 PolarHBondContact O-N 2.73Å; E662-R745 HydrophobicContact CG-CB 3.91Å; E662-R745 IonicContact OE1-CZ 2.71Å; E662-R745 IonicContact OE1-NE 3.16Å; E662-R745 PolarHBondContact OE1-NE 2.86Å; E662-R745 IonicContact OE1-NH2 3.66Å; E662-R745 PolarHBondContact OE1-NH2 3.25Å; E662-T748 HydrophobicContact CG-CG2 4.26Å
663	Y	94.5	Very high	94.1	Very high	77 Å²	77	31.2 Å²	31.2	30%	0.302	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-100.9	-9.6	-176.8	-61.5	-83.7	0	0	0	113.8	A456 S659 M660 M661 L665 Y666 P667	A456-Y663 HydrophobicContact CB-CD1 3.28Å; A456-Y663 HydrophobicContact CB-CE1 3.79Å; A456-Y663 HydrophobicContact CB-CG 4.37Å; S659-Y663 WeakPolarHBondContact O-CD2 3.42Å; S659-Y663 VanDerWaalsContact O-CE2 3.29Å; S659-Y663 WeakPolarHBondContact O-CE2 3.31Å; M660-Y663 HydrophobicContact CE-CE2 4.47Å; M660-Y663 WeakPolarHBondContact O-CA 3.32Å; M660-Y663 WeakPolarHBondContact O-CB 3.48Å; M660-Y663 PolarHBondContact O-N 3.02Å; M660-Y663 HydrophobicContact SD-CD2 4.21Å; M661-Y663 PolarHBondContact O-N 3.36Å; Y663-L665 PolarHBondContact O-N 3.46Å; Y663-L665 VanDerWaalsContact O-N 3.07Å; Y663-Y666 HydrophobicContact CD1-CD2 4.26Å; Y663-Y666 HydrophobicContact CD1-CE2 4.21Å; Y663-Y666 WeakPolarHBondContact O-CD2 3.5Å; Y663-Y666 PolarHBondContact O-N 2.95Å; Y663-Y666 VanDerWaalsContact O-N 3.07Å; Y663-P667 WeakPolarHBondContact O-CD 3.26Å
664	V	95	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.8	-169.2	74.6	0	0	0	0	114.6	T649 I652 L653 M660 M661 F702 L749	T649-V664 HydrophobicContact CG2-CG2 3.98Å; I652-V664 HydrophobicContact CB-CB 4.5Å; I652-V664 HydrophobicContact CB-CG2 4Å; I652-V664 HydrophobicContact CD1-CB 4.24Å; I652-V664 HydrophobicContact CD1-CG2 4.24Å; I652-V664 HydrophobicContact CG2-CB 4.08Å; I652-V664 HydrophobicContact CG2-CG2 4Å; L653-V664 HydrophobicContact CD2-CG2 4.3Å; L653-V664 HydrophobicContact CG-CG2 4.38Å; M660-V664 PolarHBondContact O-N 2.89Å; M661-V664 WeakPolarHBondContact O-CG1 3.28Å; V664-F702 HydrophobicContact CG1-CE2 3.9Å; V664-F702 HydrophobicContact CG1-CZ 4.1Å; V664-F702 HydrophobicContact CG2-CE2 3.86Å; V664-L749 HydrophobicContact CG1-CD1 3.84Å; V664-L749 HydrophobicContact CG1-CD2 3.8Å; V664-L749 HydrophobicContact CG1-CG 4.43Å
665	L	94.3	Very high	94	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-79.2	-24.5	176.8	-63.1	-179.1	0	0	0	113.3	I29 E30 Y663 L668 D669 F702 L749 Q752	I29-L665 HydrophobicContact CD1-CD1 3.8Å; I29-L665 HydrophobicContact CG1-CD1 4.2Å; E30-L665 HydrophobicContact CG-CD1 4.26Å; Y663-L665 PolarHBondContact O-N 3.46Å; Y663-L665 VanDerWaalsContact O-N 3.07Å; L665-L668 WeakPolarHBondContact O-CB 3.48Å; L665-L668 PolarHBondContact O-N 3.35Å; L665-D669 PolarHBondContact O-N 3.31Å; L665-F702 HydrophobicContact CD2-CE1 4.33Å; L665-F702 HydrophobicContact CD2-CE2 4.38Å; L665-F702 HydrophobicContact CD2-CZ 3.7Å; L665-L749 HydrophobicContact CD1-CD2 3.87Å; L665-L749 HydrophobicContact CD2-CD2 4.21Å; L665-L749 HydrophobicContact CG-CD2 3.78Å; L665-Q752 HydrophobicContact CD1-CG 3.92Å
666	Y	91.9	Very high	93.8	Very high	21 Å²	21	28.3 Å²	28.3	8%	0.082	14%	0.141	C	C	.	.	H	α-helix	trans	-69.1	-40.2	-179.1	-60.9	-78	0	0	0	113.6	I29 A456 K459 Y663 L668 D669	I29-Y666 WeakPolarHBondContact CA-OH 3.49Å; A456-Y666 HydrophobicContact CB-CD1 4.28Å; A456-Y666 HydrophobicContact CB-CD2 3.3Å; A456-Y666 HydrophobicContact CB-CE2 3.66Å; A456-Y666 HydrophobicContact CB-CG 3.65Å; K459-Y666 HydrophobicContact CB-CD1 3.7Å; K459-Y666 HydrophobicContact CB-CE1 4.1Å; K459-Y666 HydrophobicContact CD-CD1 4.17Å; Y663-Y666 HydrophobicContact CD1-CD2 4.26Å; Y663-Y666 HydrophobicContact CD1-CE2 4.21Å; Y663-Y666 WeakPolarHBondContact O-CD2 3.5Å; Y663-Y666 PolarHBondContact O-N 2.95Å; Y663-Y666 VanDerWaalsContact O-N 3.07Å; Y666-L668 VanDerWaalsContact C-N 3.29Å; Y666-L668 PolarHBondContact O-N 3.31Å; Y666-D669 WeakPolarHBondContact O-CB 3.35Å; Y666-D669 PolarHBondContact O-N 3.14Å
667	P	93.9	Very high	93.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-32.3	171.7	-24.9	36.8	0	0	0	112.9	V452 L648 T649 Y663 D669 L670	V452-P667 HydrophobicContact CB-CG 4.11Å; V452-P667 HydrophobicContact CG1-CG 3.54Å; V452-P667 HydrophobicContact CG2-CG 3.56Å; L648-P667 HydrophobicContact CB-CB 4.04Å; L648-P667 HydrophobicContact CB-CG 4.42Å; T649-P667 WeakPolarHBondContact OG1-CB 3.37Å; Y663-P667 WeakPolarHBondContact O-CD 3.26Å; P667-D669 VanDerWaalsContact C-N 3.28Å; P667-D669 PolarHBondContact O-N 2.96Å; P667-L670 VanDerWaalsContact O-CB 3.26Å; P667-L670 WeakPolarHBondContact O-CB 3.3Å; P667-L670 VanDerWaalsContact O-CG 3.29Å; P667-L670 WeakPolarHBondContact O-CG 3.29Å; P667-L670 PolarHBondContact O-N 2.89Å
668	L	92.6	Very high	93.6	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-32.4	175.6	-160.4	76.4	0	0	0	111.4	T649 L665 Y666 L670 Y671 F699 L757	T649-L668 HydrophobicContact CG2-CD1 4.26Å; L665-L668 WeakPolarHBondContact O-CB 3.48Å; L665-L668 PolarHBondContact O-N 3.35Å; Y666-L668 VanDerWaalsContact C-N 3.29Å; Y666-L668 PolarHBondContact O-N 3.31Å; L668-L670 PolarHBondContact O-N 2.88Å; L668-Y671 HydrophobicContact CD1-CD2 4.26Å; L668-Y671 HydrophobicContact CD1-CE2 4.13Å; L668-Y671 VanDerWaalsContact O-CD2 3.24Å; L668-Y671 WeakPolarHBondContact O-CD2 3.47Å; L668-Y671 PolarHBondContact O-N 3.24Å; L668-F699 HydrophobicContact CD2-CD2 3.93Å; L668-F699 HydrophobicContact CD2-CE2 4.16Å; L668-L757 HydrophobicContact CD2-CD2 3.89Å; L668-L757 HydrophobicContact CG-CD2 4.19Å
669	D	91.6	Very high	93.6	Very high	15 Å²	15	25.5 Å²	25.5	8%	0.08	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16	174.7	-175.1	67.3	0	0	0	114.1	P31 K459 L665 Y666 P667 Y671 N672 D673	P31-D669 WeakPolarHBondContact CB-OD2 3.22Å; P31-D669 HydrophobicContact CG-CB 3.45Å; P31-D669 VanDerWaalsContact CG-CB 3.45Å; P31-D669 VanDerWaalsContact CG-OD1 3.28Å; P31-D669 WeakPolarHBondContact CG-OD1 3.38Å; P31-D669 WeakPolarHBondContact CG-OD2 3.37Å; K459-D669 HydrophobicContact CD-CB 4.27Å; K459-D669 WeakPolarHBondContact CD-OD2 3.43Å; K459-D669 WeakPolarHBondContact CE-OD2 3.43Å; K459-D669 IonicContact NZ-OD2 2.91Å; K459-D669 PolarHBondContact NZ-OD2 3.33Å; L665-D669 PolarHBondContact O-N 3.31Å; Y666-D669 WeakPolarHBondContact O-CB 3.35Å; Y666-D669 PolarHBondContact O-N 3.14Å; P667-D669 VanDerWaalsContact C-N 3.28Å; P667-D669 PolarHBondContact O-N 2.96Å; D669-Y671 PolarHBondContact O-N 3.4Å; D669-Y671 VanDerWaalsContact O-N 3.09Å; D669-N672 WeakPolarHBondContact O-CA 3.39Å; D669-N672 VanDerWaalsContact O-CB 3.29Å; D669-N672 WeakPolarHBondContact O-CB 3.33Å; D669-N672 PolarHBondContact O-N 3.46Å; D669-N672 PolarHBondContact OD1-ND2 2.86Å; D669-D673 PolarHBondContact O-N 3.39Å
670	L	94.2	Very high	93.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-24.1	172.8	-61.2	174.4	0	0	0	112.4	M455 L618 L621 P645 P667 L668 N672 D673 S674	M455-L670 HydrophobicContact CE-CD1 4.15Å; M455-L670 HydrophobicContact SD-CD1 3.84Å; M455-L670 HydrophobicContact SD-CD2 4.47Å; L618-L670 HydrophobicContact CB-CD2 3.65Å; L618-L670 HydrophobicContact CD1-CD2 3.94Å; L618-L670 HydrophobicContact CG-CD2 4.48Å; L621-L670 HydrophobicContact CD1-CD1 3.83Å; L621-L670 HydrophobicContact CD1-CD2 4.17Å; P645-L670 HydrophobicContact CB-CB 4.2Å; P645-L670 HydrophobicContact CB-CD1 4.41Å; P645-L670 HydrophobicContact CG-CB 4.04Å; P645-L670 HydrophobicContact CG-CD1 4.37Å; P667-L670 VanDerWaalsContact O-CB 3.26Å; P667-L670 WeakPolarHBondContact O-CB 3.3Å; P667-L670 VanDerWaalsContact O-CG 3.29Å; P667-L670 WeakPolarHBondContact O-CG 3.29Å; P667-L670 PolarHBondContact O-N 2.89Å; L668-L670 PolarHBondContact O-N 2.88Å; L670-N672 VanDerWaalsContact C-N 3.33Å; L670-D673 PolarHBondContact O-N 3.21Å; L670-S674 WeakPolarHBondContact O-CB 3.39Å; L670-S674 PolarHBondContact O-N 3.42Å; L670-S674 PolarHBondContact O-OG 3.2Å
671	Y	96	Very high	93.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-33.1	171.4	-68.7	-65.7	0	0	0	112.4	W622 P645 L668 D669 S674 A675 I691 E694 V695	W622-Y671 AromaticContact CD1-CE1 3.66Å; W622-Y671 AromaticContact NE1-CE1 3.89Å; P645-Y671 HydrophobicContact CB-CD1 4.4Å; P645-Y671 HydrophobicContact CB-CD2 4.22Å; P645-Y671 HydrophobicContact CB-CE1 3.97Å; P645-Y671 HydrophobicContact CB-CE2 3.76Å; P645-Y671 HydrophobicContact CG-CD1 4.49Å; P645-Y671 HydrophobicContact CG-CE1 4.2Å; L668-Y671 HydrophobicContact CD1-CD2 4.26Å; L668-Y671 HydrophobicContact CD1-CE2 4.13Å; L668-Y671 VanDerWaalsContact O-CD2 3.24Å; L668-Y671 WeakPolarHBondContact O-CD2 3.47Å; L668-Y671 PolarHBondContact O-N 3.24Å; D669-Y671 PolarHBondContact O-N 3.4Å; D669-Y671 VanDerWaalsContact O-N 3.09Å; Y671-S674 PolarHBondContact O-N 3.1Å; Y671-A675 WeakPolarHBondContact O-CB 3.36Å; Y671-A675 PolarHBondContact O-N 3.02Å; Y671-I691 HydrophobicContact CD1-CG2 4.16Å; Y671-E694 HydrophobicContact CE1-CG 4.19Å; Y671-E694 WeakPolarHBondContact CE1-OE1 3.28Å; Y671-E694 PolarHBondContact OH-OE1 2.68Å; Y671-E694 VanDerWaalsContact OH-OE1 3.12Å; Y671-V695 HydrophobicContact CD1-CG2 3.62Å; Y671-V695 HydrophobicContact CD2-CG2 3.6Å; Y671-V695 HydrophobicContact CE1-CG2 4.16Å; Y671-V695 HydrophobicContact CE2-CG2 4.15Å; Y671-V695 HydrophobicContact CG-CG2 3.3Å
672	N	93	Very high	93.2	Very high	25 Å²	25	30.5 Å²	30.5	13%	0.134	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-45.7	173.6	-74	-35.3	0	0	0	111.1	D669 L670 S674 A675 H676 Q756 L758	D669-N672 WeakPolarHBondContact O-CA 3.39Å; D669-N672 VanDerWaalsContact O-CB 3.29Å; D669-N672 WeakPolarHBondContact O-CB 3.33Å; D669-N672 PolarHBondContact O-N 3.46Å; D669-N672 PolarHBondContact OD1-ND2 2.86Å; L670-N672 VanDerWaalsContact C-N 3.33Å; N672-S674 VanDerWaalsContact C-N 3.31Å; N672-S674 PolarHBondContact O-N 2.98Å; N672-A675 PolarHBondContact O-N 2.95Å; N672-H676 VanDerWaalsContact O-CB 3.3Å; N672-H676 WeakPolarHBondContact O-CB 3.31Å; N672-H676 PolarHBondContact O-N 3.5Å; N672-Q756 PolarHBondContact ND2-O 3.26Å; N672-L758 WeakPolarHBondContact OD1-CA 3.41Å; N672-L758 PolarHBondContact OD1-N 3.32Å
673	D	92.2	Very high	93.4	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-48.7	176.2	-62.1	-14.6	0	0	0	110.5	K459 S619 D669 L670 Y677	K459-D673 VanDerWaalsContact NZ-CG 3.28Å; K459-D673 IonicContact NZ-OD1 3.51Å; K459-D673 PolarHBondContact NZ-OD1 2.92Å; K459-D673 VanDerWaalsContact NZ-OD1 3.13Å; K459-D673 IonicContact NZ-OD2 3.53Å; K459-D673 PolarHBondContact NZ-OD2 2.89Å; S619-D673 WeakPolarHBondContact CB-O 3.41Å; D669-D673 PolarHBondContact O-N 3.39Å; L670-D673 PolarHBondContact O-N 3.21Å; D673-Y677 WeakPolarHBondContact O-CB 3.45Å; D673-Y677 PolarHBondContact O-N 2.96Å
674	S	95.5	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-44.1	-179.5	-53.4	0	0	0	0	111.8	S619 W622 F623 L670 Y671 N672 Y677 A678	S619-S674 PolarHBondContact O-OG 3.44Å; W622-S674 WeakPolarHBondContact CB-OG 3.41Å; F623-S674 VanDerWaalsContact CZ-O 3.3Å; F623-S674 WeakPolarHBondContact CZ-O 3.49Å; L670-S674 WeakPolarHBondContact O-CB 3.39Å; L670-S674 PolarHBondContact O-N 3.42Å; L670-S674 PolarHBondContact O-OG 3.2Å; Y671-S674 PolarHBondContact O-N 3.1Å; N672-S674 VanDerWaalsContact C-N 3.31Å; N672-S674 PolarHBondContact O-N 2.98Å; S674-Y677 PolarHBondContact O-N 3.4Å; S674-A678 WeakPolarHBondContact O-CB 3.48Å; S674-A678 PolarHBondContact O-N 3.01Å
675	A	94.3	Very high	93.4	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-45.3	179.1	0	0	0	0	0	111.9	Y671 N672 Y677 A678 L679 Y688 I691 L758	Y671-A675 WeakPolarHBondContact O-CB 3.36Å; Y671-A675 PolarHBondContact O-N 3.02Å; N672-A675 PolarHBondContact O-N 2.95Å; A675-Y677 VanDerWaalsContact C-N 3.3Å; A675-Y677 PolarHBondContact O-N 2.94Å; A675-A678 PolarHBondContact O-N 3.48Å; A675-L679 VanDerWaalsContact O-CG 3.32Å; A675-L679 WeakPolarHBondContact O-CG 3.45Å; A675-L679 PolarHBondContact O-N 3.32Å; A675-Y688 HydrophobicContact CB-CD2 3.92Å; A675-Y688 HydrophobicContact CB-CE2 3.91Å; A675-I691 HydrophobicContact CB-CG2 4.15Å; A675-L758 HydrophobicContact CB-CD2 3.46Å; A675-L758 VanDerWaalsContact CB-CD2 3.46Å
676	H	91.1	Very high	93.5	Very high	91 Å²	91	44.5 Å²	44.5	42%	0.421	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-42.7	175.4	178.3	-95.3	0	0	0	110.9	N672 L679 T680	N672-H676 VanDerWaalsContact O-CB 3.3Å; N672-H676 WeakPolarHBondContact O-CB 3.31Å; N672-H676 PolarHBondContact O-N 3.5Å; H676-L679 PolarHBondContact O-N 2.9Å; H676-T680 PolarHBondContact CE1-OG1 3.42Å; H676-T680 WeakPolarHBondContact O-CB 3.22Å; H676-T680 WeakPolarHBondContact O-CG2 3.25Å; H676-T680 PolarHBondContact O-N 3.4Å; H676-T680 PolarHBondContact O-OG1 2.88Å
677	Y	93.7	Very high	93.7	Very high	43 Å²	43	43.5 Å²	43.5	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-42.6	176.5	-157.9	-78.7	0	0	0	112.1	S619 F623 D673 S674 A675 L679 K681 F682	S619-Y677 WeakPolarHBondContact OG-CD2 3.47Å; F623-Y677 HydrophobicContact CE2-CD1 4.02Å; F623-Y677 HydrophobicContact CE2-CG 4.28Å; F623-Y677 HydrophobicContact CZ-CD1 4.31Å; D673-Y677 WeakPolarHBondContact O-CB 3.45Å; D673-Y677 PolarHBondContact O-N 2.96Å; S674-Y677 PolarHBondContact O-N 3.4Å; A675-Y677 VanDerWaalsContact C-N 3.3Å; A675-Y677 PolarHBondContact O-N 2.94Å; Y677-L679 VanDerWaalsContact C-N 3.32Å; Y677-L679 PolarHBondContact O-N 2.9Å; Y677-K681 HydrophobicContact CD1-CB 3.71Å; Y677-K681 HydrophobicContact CD1-CG 4.28Å; Y677-K681 HydrophobicContact CD2-CB 4.27Å; Y677-K681 HydrophobicContact CD2-CG 3.92Å; Y677-K681 HydrophobicContact CE1-CB 3.56Å; Y677-K681 HydrophobicContact CE1-CG 4.19Å; Y677-K681 HydrophobicContact CE2-CB 4.18Å; Y677-K681 HydrophobicContact CE2-CG 3.87Å; Y677-K681 HydrophobicContact CG-CB 4.05Å; Y677-K681 HydrophobicContact CG-CG 4.13Å; Y677-K681 WeakPolarHBondContact O-CA 3.38Å; Y677-K681 WeakPolarHBondContact O-CB 3.36Å; Y677-K681 PolarHBondContact O-N 3.14Å; Y677-F682 HydrophobicContact CD1-CD1 4.43Å; Y677-F682 AromaticContact CD1-CD2 3.78Å; Y677-F682 HydrophobicContact CD1-CD2 3.78Å; Y677-F682 HydrophobicContact CD1-CE1 4.38Å; Y677-F682 AromaticContact CD1-CE2 3.7Å; Y677-F682 HydrophobicContact CD1-CE2 3.7Å; Y677-F682 HydrophobicContact CD1-CG 4.16Å; Y677-F682 HydrophobicContact CD1-CZ 4.02Å; Y677-F682 HydrophobicContact CE1-CD1 4.03Å; Y677-F682 HydrophobicContact CE1-CD2 4.1Å; Y677-F682 AromaticContact CE1-CE1 3.72Å; Y677-F682 HydrophobicContact CE1-CE1 3.72Å; Y677-F682 AromaticContact CE1-CE2 3.79Å; Y677-F682 HydrophobicContact CE1-CE2 3.79Å; Y677-F682 HydrophobicContact CE1-CG 4.22Å; Y677-F682 AromaticContact CE1-CZ 3.59Å; Y677-F682 HydrophobicContact CE1-CZ 3.59Å; Y677-F682 PolarHBondContact O-N 2.98Å
678	A	94.1	Very high	93.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-60.6	-40	177	0	0	0	0	0	112.3	F623 S674 A675 K683 K684 L687 I691	F623-A678 HydrophobicContact CE1-CB 4.21Å; F623-A678 HydrophobicContact CZ-CB 4.09Å; S674-A678 WeakPolarHBondContact O-CB 3.48Å; S674-A678 PolarHBondContact O-N 3.01Å; A675-A678 PolarHBondContact O-N 3.48Å; A678-K683 WeakPolarHBondContact O-CA 3.47Å; A678-K683 PolarHBondContact O-N 3.23Å; A678-K684 PolarHBondContact O-N 2.93Å; A678-K684 VanDerWaalsContact O-N 3.16Å; A678-L687 HydrophobicContact CB-CB 3.98Å; A678-I691 HydrophobicContact CB-CD1 4.06Å
679	L	92.1	Very high	94.1	Very high	90 Å²	90	49.4 Å²	49.4	47%	0.471	23%	0.234	S	C	.	.	I	π-helix	trans	-78.4	-41.7	-178.7	-68.3	173.8	0	0	0	113.2	A675 H676 Y677 Y688	A675-L679 VanDerWaalsContact O-CG 3.32Å; A675-L679 WeakPolarHBondContact O-CG 3.45Å; A675-L679 PolarHBondContact O-N 3.32Å; H676-L679 PolarHBondContact O-N 2.9Å; Y677-L679 VanDerWaalsContact C-N 3.32Å; Y677-L679 PolarHBondContact O-N 2.9Å; L679-Y688 HydrophobicContact CD1-CD2 3.7Å; L679-Y688 HydrophobicContact CD1-CE2 3.79Å; L679-Y688 HydrophobicContact CD1-CG 4.46Å; L679-Y688 HydrophobicContact CD2-CD2 3.99Å; L679-Y688 HydrophobicContact CD2-CG 3.95Å; L679-Y688 HydrophobicContact CG-CD2 3.79Å; L679-Y688 HydrophobicContact CG-CE2 4.4Å; L679-Y688 HydrophobicContact CG-CG 4.26Å
680	T	89.3	Confident	94.4	Very high	60 Å²	60	50.8 Å²	50.8	37%	0.368	24%	0.24	S	C	.	.	I	π-helix	trans	-98.7	-37.6	-170.2	63.3	0	0	0	0	114	H676 K683	H676-T680 PolarHBondContact CE1-OG1 3.42Å; H676-T680 WeakPolarHBondContact O-CB 3.22Å; H676-T680 WeakPolarHBondContact O-CG2 3.25Å; H676-T680 PolarHBondContact O-N 3.4Å; H676-T680 PolarHBondContact O-OG1 2.88Å; T680-K683 WeakPolarHBondContact O-CE 3.15Å
681	K	91.3	Very high	94.5	Very high	120 Å²	120	50.8 Å²	50.8	52%	0.522	24%	0.24	S	C	.	.	I	π-helix	trans	-96.6	-55.6	-177.9	-60.1	-62.3	-174.9	179.7	0	111.5	Y677	Y677-K681 HydrophobicContact CD1-CB 3.71Å; Y677-K681 HydrophobicContact CD1-CG 4.28Å; Y677-K681 HydrophobicContact CD2-CB 4.27Å; Y677-K681 HydrophobicContact CD2-CG 3.92Å; Y677-K681 HydrophobicContact CE1-CB 3.56Å; Y677-K681 HydrophobicContact CE1-CG 4.19Å; Y677-K681 HydrophobicContact CE2-CB 4.18Å; Y677-K681 HydrophobicContact CE2-CG 3.87Å; Y677-K681 HydrophobicContact CG-CB 4.05Å; Y677-K681 HydrophobicContact CG-CG 4.13Å; Y677-K681 WeakPolarHBondContact O-CA 3.38Å; Y677-K681 WeakPolarHBondContact O-CB 3.36Å; Y677-K681 PolarHBondContact O-N 3.14Å
682	F	94.2	Very high	94.5	Very high	1 Å²	1	53.8 Å²	53.8	0%	0.004	25%	0.254	C	S	.	.	I	π-helix	trans	-74.7	-30.7	177.8	-68.7	-36.3	0	0	0	113.1	V81 Y84 T85 F308 F623 Y677 K684 L687	V81-F682 HydrophobicContact CB-CD1 4.41Å; V81-F682 HydrophobicContact CG1-CB 4.31Å; V81-F682 HydrophobicContact CG1-CD1 3.89Å; V81-F682 WeakPolarHBondContact CG1-O 3.48Å; V81-F682 HydrophobicContact CG2-CD1 3.92Å; V81-F682 HydrophobicContact CG2-CE1 4.35Å; Y84-F682 HydrophobicContact CD1-CE1 4.01Å; Y84-F682 HydrophobicContact CD1-CE2 4.5Å; Y84-F682 AromaticContact CD1-CZ 3.87Å; Y84-F682 HydrophobicContact CD1-CZ 3.87Å; Y84-F682 HydrophobicContact CE1-CE1 4.27Å; Y84-F682 HydrophobicContact CE1-CE2 4.06Å; Y84-F682 AromaticContact CE1-CZ 3.65Å; Y84-F682 HydrophobicContact CE1-CZ 3.65Å; T85-F682 HydrophobicContact CG2-CB 4.37Å; T85-F682 HydrophobicContact CG2-CD1 4.3Å; T85-F682 HydrophobicContact CG2-CG 4.24Å; F308-F682 AromaticContact CE1-CE1 3.91Å; F308-F682 HydrophobicContact CE1-CE1 3.91Å; F308-F682 HydrophobicContact CE1-CZ 4.49Å; F308-F682 HydrophobicContact CZ-CE1 4.12Å; F623-F682 HydrophobicContact CD1-CD2 4.23Å; F623-F682 AromaticContact CD1-CE2 3.76Å; F623-F682 HydrophobicContact CD1-CE2 3.76Å; F623-F682 AromaticContact CD2-CE2 3.8Å; F623-F682 HydrophobicContact CD2-CE2 3.8Å; F623-F682 AromaticContact CE1-CD2 3.73Å; F623-F682 HydrophobicContact CE1-CD2 3.73Å; F623-F682 AromaticContact CE1-CE2 3.65Å; F623-F682 HydrophobicContact CE1-CE2 3.65Å; F623-F682 HydrophobicContact CE2-CD2 4.25Å; F623-F682 AromaticContact CE2-CE2 3.7Å; F623-F682 HydrophobicContact CE2-CE2 3.7Å; F623-F682 AromaticContact CG-CE2 3.84Å; F623-F682 HydrophobicContact CG-CE2 3.84Å; F623-F682 AromaticContact CZ-CD2 3.73Å; F623-F682 HydrophobicContact CZ-CD2 3.73Å; F623-F682 AromaticContact CZ-CE2 3.62Å; F623-F682 HydrophobicContact CZ-CE2 3.62Å; Y677-F682 HydrophobicContact CD1-CD1 4.43Å; Y677-F682 AromaticContact CD1-CD2 3.78Å; Y677-F682 HydrophobicContact CD1-CD2 3.78Å; Y677-F682 HydrophobicContact CD1-CE1 4.38Å; Y677-F682 AromaticContact CD1-CE2 3.7Å; Y677-F682 HydrophobicContact CD1-CE2 3.7Å; Y677-F682 HydrophobicContact CD1-CG 4.16Å; Y677-F682 HydrophobicContact CD1-CZ 4.02Å; Y677-F682 HydrophobicContact CE1-CD1 4.03Å; Y677-F682 HydrophobicContact CE1-CD2 4.1Å; Y677-F682 AromaticContact CE1-CE1 3.72Å; Y677-F682 HydrophobicContact CE1-CE1 3.72Å; Y677-F682 AromaticContact CE1-CE2 3.79Å; Y677-F682 HydrophobicContact CE1-CE2 3.79Å; Y677-F682 HydrophobicContact CE1-CG 4.22Å; Y677-F682 AromaticContact CE1-CZ 3.59Å; Y677-F682 HydrophobicContact CE1-CZ 3.59Å; Y677-F682 PolarHBondContact O-N 2.98Å; F682-K684 HydrophobicContact CB-CG 4.45Å; F682-K684 PolarHBondContact O-N 3.04Å; F682-K684 PolarHBondContact O-NZ 3.12Å; F682-L687 HydrophobicContact CB-CD1 4.1Å; F682-L687 HydrophobicContact CD2-CD1 3.72Å; F682-L687 HydrophobicContact CG-CD1 4.2Å
683	K	95.9	Very high	94.7	Very high	138 Å²	138	55.6 Å²	55.6	60%	0.6	27%	0.272	S	S	*	.			trans	52.5	53.5	-178.4	-56.6	173.2	-177.5	171.3	0	111	A678 T680	A678-K683 WeakPolarHBondContact O-CA 3.47Å; A678-K683 PolarHBondContact O-N 3.23Å; T680-K683 WeakPolarHBondContact O-CE 3.15Å
684	K	94.8	Very high	95	Very high	64 Å²	64	54.7 Å²	54.7	28%	0.278	27%	0.267	S	S	.	.			trans	-131.4	124.7	178.9	-61.6	-64.1	165	-71.2	0	111	T85 A678 F682 F686 L687	T85-K684 HydrophobicContact CG2-CG 4.07Å; T85-K684 WeakPolarHBondContact OG1-CE 3.33Å; A678-K684 PolarHBondContact O-N 2.93Å; A678-K684 VanDerWaalsContact O-N 3.16Å; F682-K684 HydrophobicContact CB-CG 4.45Å; F682-K684 PolarHBondContact O-N 3.04Å; F682-K684 PolarHBondContact O-NZ 3.12Å; K684-F686 HydrophobicContact CB-CD1 4.12Å; K684-F686 HydrophobicContact CB-CE1 3.87Å; K684-F686 HydrophobicContact CB-CZ 4.48Å; K684-F686 HydrophobicContact CD-CE1 4.1Å; K684-F686 HydrophobicContact CG-CE1 4.05Å; K684-L687 HydrophobicContact CB-CB 4.44Å; K684-L687 HydrophobicContact CB-CD1 4.02Å; K684-L687 HydrophobicContact CB-CG 4.14Å; K684-L687 HydrophobicContact CG-CD1 4.39Å
685	Q	94.7	Very high	95.1	Very high	161 Å²	161	55.3 Å²	55.3	75%	0.752	27%	0.271	S	S	*	.	H	α-helix	trans	-66.1	-50.2	179.5	-70.6	175.8	-15	0	0	111.8	L687 Y688 D689	Q685-L687 PolarHBondContact O-N 3.5Å; Q685-Y688 WeakPolarHBondContact O-CA 3.47Å; Q685-Y688 WeakPolarHBondContact O-CB 3.11Å; Q685-Y688 PolarHBondContact O-N 2.92Å; Q685-D689 VanDerWaalsContact O-CG 3.29Å; Q685-D689 PolarHBondContact O-N 3.49Å
686	F	96.7	Very high	95.1	Very high	64 Å²	64	60.4 Å²	60.4	28%	0.281	30%	0.297	S	S	.	.	H	α-helix	trans	-57.5	-30.2	-175.8	75.1	-95.5	0	0	0	114	T85 K684 E690	T85-F686 WeakPolarHBondContact O-CZ 3.38Å; K684-F686 HydrophobicContact CB-CD1 4.12Å; K684-F686 HydrophobicContact CB-CE1 3.87Å; K684-F686 HydrophobicContact CB-CZ 4.48Å; K684-F686 HydrophobicContact CD-CE1 4.1Å; K684-F686 HydrophobicContact CG-CE1 4.05Å; F686-E690 WeakPolarHBondContact O-CB 3.45Å; F686-E690 VanDerWaalsContact O-CG 3.28Å; F686-E690 WeakPolarHBondContact O-CG 3.33Å; F686-E690 PolarHBondContact O-N 3.48Å; F686-E690 VanDerWaalsContact O-N 3.11Å
687	L	97.1	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-68.4	-42.3	174.3	-69.7	178.5	0	0	0	111.2	T85 W622 F623 A678 F682 K684 Q685 I691	T85-L687 HydrophobicContact CG2-CD1 3.9Å; W622-L687 HydrophobicContact CZ3-CD2 4.49Å; F623-L687 HydrophobicContact CE1-CD1 4.14Å; A678-L687 HydrophobicContact CB-CB 3.98Å; F682-L687 HydrophobicContact CB-CD1 4.1Å; F682-L687 HydrophobicContact CD2-CD1 3.72Å; F682-L687 HydrophobicContact CG-CD1 4.2Å; K684-L687 HydrophobicContact CB-CB 4.44Å; K684-L687 HydrophobicContact CB-CD1 4.02Å; K684-L687 HydrophobicContact CB-CG 4.14Å; K684-L687 HydrophobicContact CG-CD1 4.39Å; Q685-L687 PolarHBondContact O-N 3.5Å; L687-I691 WeakPolarHBondContact O-CD1 3.42Å; L687-I691 VanDerWaalsContact O-CG1 3.23Å; L687-I691 WeakPolarHBondContact O-CG1 3.29Å; L687-I691 PolarHBondContact O-N 3.15Å
688	Y	96.8	Very high	95.5	Very high	41 Å²	41	58.3 Å²	58.3	16%	0.161	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-43.1	174.7	-180	-93.2	0	0	0	111.4	A675 L679 Q685 E690 I691 E692 R760	A675-Y688 HydrophobicContact CB-CD2 3.92Å; A675-Y688 HydrophobicContact CB-CE2 3.91Å; L679-Y688 HydrophobicContact CD1-CD2 3.7Å; L679-Y688 HydrophobicContact CD1-CE2 3.79Å; L679-Y688 HydrophobicContact CD1-CG 4.46Å; L679-Y688 HydrophobicContact CD2-CD2 3.99Å; L679-Y688 HydrophobicContact CD2-CG 3.95Å; L679-Y688 HydrophobicContact CG-CD2 3.79Å; L679-Y688 HydrophobicContact CG-CE2 4.4Å; L679-Y688 HydrophobicContact CG-CG 4.26Å; Q685-Y688 WeakPolarHBondContact O-CA 3.47Å; Q685-Y688 WeakPolarHBondContact O-CB 3.11Å; Q685-Y688 PolarHBondContact O-N 2.92Å; Y688-E690 VanDerWaalsContact C-N 3.25Å; Y688-E690 PolarHBondContact O-N 3.42Å; Y688-I691 PolarHBondContact O-N 2.95Å; Y688-I691 VanDerWaalsContact O-N 3.17Å; Y688-E692 HydrophobicContact CE1-CB 4.27Å; Y688-E692 WeakPolarHBondContact O-CB 3.36Å; Y688-E692 PolarHBondContact O-N 3.49Å; Y688-R760 PolarHBondContact OH-NH1 2.89Å
689	D	96.8	Very high	95.6	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-40.5	178.6	-57.4	-23.2	0	0	0	111.1	Q685 A693	Q685-D689 VanDerWaalsContact O-CG 3.29Å; Q685-D689 PolarHBondContact O-N 3.49Å; D689-A693 VanDerWaalsContact O-CB 3.31Å; D689-A693 WeakPolarHBondContact O-CB 3.5Å; D689-A693 PolarHBondContact O-N 3.08Å
690	E	97.9	Very high	95.8	Very high	44 Å²	44	59.3 Å²	59.3	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-41.3	176.3	-73.7	173.3	-174	0	0	112.9	R87 W622 Q637 F686 Y688 E692 A693 E694	R87-E690 IonicContact CZ-OE1 3.82Å; R87-E690 IonicContact CZ-OE2 3.96Å; R87-E690 IonicContact NH1-OE1 2.68Å; R87-E690 PolarHBondContact NH1-OE1 3.35Å; R87-E690 IonicContact NH1-OE2 2.59Å; R87-E690 IonicContact NH2-OE1 2.75Å; R87-E690 PolarHBondContact NH2-OE1 3.21Å; R87-E690 IonicContact NH2-OE2 2.76Å; R87-E690 PolarHBondContact NH2-OE2 3.47Å; W622-E690 HydrophobicContact CH2-CB 3.88Å; W622-E690 HydrophobicContact CZ2-CB 4.19Å; Q637-E690 PolarHBondContact NE2-OE2 3.38Å; F686-E690 WeakPolarHBondContact O-CB 3.45Å; F686-E690 VanDerWaalsContact O-CG 3.28Å; F686-E690 WeakPolarHBondContact O-CG 3.33Å; F686-E690 PolarHBondContact O-N 3.48Å; F686-E690 VanDerWaalsContact O-N 3.11Å; Y688-E690 VanDerWaalsContact C-N 3.25Å; Y688-E690 PolarHBondContact O-N 3.42Å; E690-E692 VanDerWaalsContact C-N 3.34Å; E690-A693 PolarHBondContact O-N 2.96Å; E690-E694 WeakPolarHBondContact O-CB 3.3Å; E690-E694 PolarHBondContact O-N 3.45Å
691	I	97.5	Very high	96.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-46.1	174	-68.6	164.4	0	0	0	110.1	W622 F623 Y671 A675 A678 L687 Y688 E694 V695 L758	W622-I691 HydrophobicContact CD2-CD1 4.32Å; W622-I691 HydrophobicContact CD2-CG1 3.69Å; W622-I691 HydrophobicContact CE3-CD1 3.81Å; W622-I691 HydrophobicContact CE3-CG1 3.55Å; W622-I691 HydrophobicContact CH2-CD1 4.29Å; W622-I691 HydrophobicContact CH2-CG1 3.45Å; W622-I691 VanDerWaalsContact CH2-CG1 3.45Å; W622-I691 HydrophobicContact CZ2-CB 4.39Å; W622-I691 HydrophobicContact CZ2-CG1 3.56Å; W622-I691 HydrophobicContact CZ3-CD1 3.81Å; W622-I691 HydrophobicContact CZ3-CG1 3.44Å; W622-I691 VanDerWaalsContact CZ3-CG1 3.44Å; F623-I691 HydrophobicContact CE1-CD1 4.31Å; F623-I691 HydrophobicContact CZ-CD1 4.5Å; Y671-I691 HydrophobicContact CD1-CG2 4.16Å; A675-I691 HydrophobicContact CB-CG2 4.15Å; A678-I691 HydrophobicContact CB-CD1 4.06Å; L687-I691 WeakPolarHBondContact O-CD1 3.42Å; L687-I691 VanDerWaalsContact O-CG1 3.23Å; L687-I691 WeakPolarHBondContact O-CG1 3.29Å; L687-I691 PolarHBondContact O-N 3.15Å; Y688-I691 PolarHBondContact O-N 2.95Å; Y688-I691 VanDerWaalsContact O-N 3.17Å; I691-E694 PolarHBondContact O-N 3.48Å; I691-V695 HydrophobicContact CG2-CG2 4.42Å; I691-V695 WeakPolarHBondContact O-CB 3.23Å; I691-V695 WeakPolarHBondContact O-CG2 3.5Å; I691-V695 PolarHBondContact O-N 2.74Å; I691-L758 HydrophobicContact CG2-CD2 4.2Å
692	E	96.7	Very high	96.4	Very high	64 Å²	64	53.6 Å²	53.6	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-45.2	179.8	-178.7	175.7	-108.8	0	0	111.8	Y688 E690 E694 V695 N696 L758 R760	Y688-E692 HydrophobicContact CE1-CB 4.27Å; Y688-E692 WeakPolarHBondContact O-CB 3.36Å; Y688-E692 PolarHBondContact O-N 3.49Å; E690-E692 VanDerWaalsContact C-N 3.34Å; E692-E694 VanDerWaalsContact C-N 3.34Å; E692-E694 PolarHBondContact O-N 3.27Å; E692-V695 PolarHBondContact O-N 2.79Å; E692-N696 WeakPolarHBondContact O-CB 3.29Å; E692-N696 PolarHBondContact O-N 2.75Å; E692-L758 HydrophobicContact CB-CD1 4.16Å; E692-L758 HydrophobicContact CG-CD1 4.29Å; E692-R760 IonicContact OE1-CZ 3.39Å; E692-R760 IonicContact OE1-NH1 3.46Å; E692-R760 PolarHBondContact OE1-NH1 3.02Å; E692-R760 IonicContact OE1-NH2 2.68Å; E692-R760 PolarHBondContact OE1-NH2 3Å
693	A	96.7	Very high	96.5	Very high	62 Å²	62	53.6 Å²	53.6	51%	0.512	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-40.6	176.1	0	0	0	0	0	112.2	D689 E690 N696 L697	D689-A693 VanDerWaalsContact O-CB 3.31Å; D689-A693 WeakPolarHBondContact O-CB 3.5Å; D689-A693 PolarHBondContact O-N 3.08Å; E690-A693 PolarHBondContact O-N 2.96Å; A693-N696 PolarHBondContact O-N 3.44Å; A693-L697 PolarHBondContact O-N 3.38Å
694	E	98.1	Very high	96.5	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-65.9	-45.3	176.4	-171.2	168.4	126.6	0	0	111.5	W622 R624 I640 S643 Y671 E690 I691 E692 N696 L697 C698	W622-E694 VanDerWaalsContact NE1-CD 3.27Å; W622-E694 PolarHBondContact NE1-OE1 3.04Å; W622-E694 PolarHBondContact NE1-OE2 2.57Å; R624-E694 IonicContact CZ-OE2 3.2Å; R624-E694 IonicContact NH2-OE2 2.76Å; R624-E694 PolarHBondContact NH2-OE2 2.79Å; I640-E694 HydrophobicContact CG2-CG 3.84Å; S643-E694 WeakPolarHBondContact CB-OE1 3.38Å; S643-E694 PolarHBondContact OG-OE1 3.18Å; Y671-E694 HydrophobicContact CE1-CG 4.19Å; Y671-E694 WeakPolarHBondContact CE1-OE1 3.28Å; Y671-E694 PolarHBondContact OH-OE1 2.68Å; Y671-E694 VanDerWaalsContact OH-OE1 3.12Å; E690-E694 WeakPolarHBondContact O-CB 3.3Å; E690-E694 PolarHBondContact O-N 3.45Å; I691-E694 PolarHBondContact O-N 3.48Å; E692-E694 VanDerWaalsContact C-N 3.34Å; E692-E694 PolarHBondContact O-N 3.27Å; E694-N696 VanDerWaalsContact C-N 3.32Å; E694-N696 PolarHBondContact O-N 3.18Å; E694-L697 PolarHBondContact O-N 3.12Å; E694-C698 VanDerWaalsContact O-CB 3.26Å; E694-C698 WeakPolarHBondContact O-CB 3.1Å; E694-C698 PolarHBondContact O-N 3.14Å; E694-C698 PolarHBondContact O-SG 2.81Å
695	V	97.3	Very high	96.6	Very high	12 Å²	12	53.4 Å²	53.4	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-43.2	175.2	167.3	0	0	0	0	111.2	Y671 I691 E692 L697 C698 F699 L757 L758	Y671-V695 HydrophobicContact CD1-CG2 3.62Å; Y671-V695 HydrophobicContact CD2-CG2 3.6Å; Y671-V695 HydrophobicContact CE1-CG2 4.16Å; Y671-V695 HydrophobicContact CE2-CG2 4.15Å; Y671-V695 HydrophobicContact CG-CG2 3.3Å; I691-V695 HydrophobicContact CG2-CG2 4.42Å; I691-V695 WeakPolarHBondContact O-CB 3.23Å; I691-V695 WeakPolarHBondContact O-CG2 3.5Å; I691-V695 PolarHBondContact O-N 2.74Å; E692-V695 PolarHBondContact O-N 2.79Å; V695-L697 VanDerWaalsContact C-N 3.35Å; V695-L697 PolarHBondContact O-N 3.43Å; V695-C698 PolarHBondContact O-N 3.34Å; V695-F699 WeakPolarHBondContact O-CB 3.44Å; V695-F699 PolarHBondContact O-N 2.82Å; V695-L757 HydrophobicContact CG1-CD2 3.65Å; V695-L757 HydrophobicContact CG1-CG 4.1Å; V695-L758 HydrophobicContact CB-CD1 3.76Å; V695-L758 HydrophobicContact CG1-CD1 3.86Å; V695-L758 HydrophobicContact CG1-CG 4.35Å; V695-L758 HydrophobicContact CG2-CD1 3.83Å; V695-L758 HydrophobicContact CG2-CG 4.32Å
696	N	95.1	Very high	96.7	Very high	112 Å²	112	45.8 Å²	45.8	60%	0.599	23%	0.228	S	C	*	.	H	α-helix	trans	-59.4	-46.2	-179.6	-164.7	37.1	0	0	0	111.5	E692 A693 E694 D700	E692-N696 WeakPolarHBondContact O-CB 3.29Å; E692-N696 PolarHBondContact O-N 2.75Å; A693-N696 PolarHBondContact O-N 3.44Å; E694-N696 VanDerWaalsContact C-N 3.32Å; E694-N696 PolarHBondContact O-N 3.18Å; N696-D700 PolarHBondContact O-N 3.28Å
697	L	96.3	Very high	96.8	Very high	91 Å²	91	42.9 Å²	42.9	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-47.6	177	177	61.4	0	0	0	112.6	I640 A693 E694 V695 Q701	I640-L697 HydrophobicContact CD1-CD2 4.09Å; I640-L697 HydrophobicContact CD1-CG 4.39Å; I640-L697 HydrophobicContact CG2-CD2 4.11Å; A693-L697 PolarHBondContact O-N 3.38Å; E694-L697 PolarHBondContact O-N 3.12Å; V695-L697 VanDerWaalsContact C-N 3.35Å; V695-L697 PolarHBondContact O-N 3.43Å; L697-Q701 PolarHBondContact O-N 3.12Å
698	C	96.8	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-37.9	-177.8	-72.3	0	0	0	0	111.7	W646 E694 V695 Q701 F702	W646-C698 HydrophobicContact CD2-CB 3.99Å; W646-C698 VanDerWaalsContact CD2-SG 3.53Å; W646-C698 HydrophobicContact CE3-CB 3.48Å; W646-C698 VanDerWaalsContact CE3-CB 3.48Å; W646-C698 HydrophobicContact CH2-CB 4.35Å; W646-C698 VanDerWaalsContact CH2-O 3.29Å; W646-C698 WeakPolarHBondContact CH2-O 3.25Å; W646-C698 HydrophobicContact CZ3-CB 3.69Å; W646-C698 VanDerWaalsContact CZ3-O 3.27Å; W646-C698 WeakPolarHBondContact CZ3-O 3.23Å; E694-C698 VanDerWaalsContact O-CB 3.26Å; E694-C698 WeakPolarHBondContact O-CB 3.1Å; E694-C698 PolarHBondContact O-N 3.14Å; E694-C698 PolarHBondContact O-SG 2.81Å; V695-C698 PolarHBondContact O-N 3.34Å; C698-Q701 PolarHBondContact O-N 3.4Å; C698-F702 VanDerWaalsContact O-CB 3.32Å; C698-F702 WeakPolarHBondContact O-CB 3.39Å; C698-F702 PolarHBondContact O-N 3.02Å
699	F	95.9	Very high	96.7	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-37.8	-179.7	-168.4	-103.2	0	0	0	112.2	L668 V695 Q701 F702 V703 L757 I762 L764 L767	L668-F699 HydrophobicContact CD2-CD2 3.93Å; L668-F699 HydrophobicContact CD2-CE2 4.16Å; V695-F699 WeakPolarHBondContact O-CB 3.44Å; V695-F699 PolarHBondContact O-N 2.82Å; F699-Q701 VanDerWaalsContact C-N 3.33Å; F699-Q701 PolarHBondContact O-N 3.18Å; F699-F702 HydrophobicContact CD2-CD1 4.33Å; F699-F702 HydrophobicContact CE2-CD1 4.14Å; F699-F702 WeakPolarHBondContact O-CB 3.44Å; F699-F702 PolarHBondContact O-N 3.03Å; F699-V703 HydrophobicContact CD1-CG2 4.08Å; F699-V703 HydrophobicContact CE1-CG2 3.67Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 3.86Å; F699-V703 WeakPolarHBondContact O-CG2 3.44Å; F699-V703 PolarHBondContact O-N 2.71Å; F699-L757 HydrophobicContact CD2-CD2 4.07Å; F699-I762 HydrophobicContact CE1-CD1 4.02Å; F699-I762 HydrophobicContact CE1-CG2 3.78Å; F699-I762 HydrophobicContact CE2-CD1 4.29Å; F699-I762 HydrophobicContact CZ-CB 4.41Å; F699-I762 HydrophobicContact CZ-CD1 3.91Å; F699-I762 HydrophobicContact CZ-CG2 3.62Å; F699-L764 HydrophobicContact CZ-CD1 4.44Å; F699-L767 HydrophobicContact CE1-CD1 3.68Å; F699-L767 HydrophobicContact CZ-CD1 4.14Å
700	D	95.4	Very high	96.7	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-43.9	171.6	-85.6	-15.8	0	0	0	111.6	N696 Y704	N696-D700 PolarHBondContact O-N 3.28Å; D700-Y704 WeakPolarHBondContact O-CB 3.31Å; D700-Y704 PolarHBondContact O-N 3.16Å
701	Q	96.2	Very high	96.7	Very high	60 Å²	60	37.1 Å²	37.1	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-41.2	174.2	-70.8	-173.5	52.7	0	0	112.3	I640 W646 L697 C698 F699 Y704 K705	I640-Q701 VanDerWaalsContact CD1-NE2 3.32Å; W646-Q701 HydrophobicContact CH2-CB 3.74Å; W646-Q701 HydrophobicContact CZ2-CB 3.85Å; L697-Q701 PolarHBondContact O-N 3.12Å; C698-Q701 PolarHBondContact O-N 3.4Å; F699-Q701 VanDerWaalsContact C-N 3.33Å; F699-Q701 PolarHBondContact O-N 3.18Å; Q701-Y704 PolarHBondContact O-N 2.93Å; Q701-K705 WeakPolarHBondContact O-CB 3.36Å; Q701-K705 WeakPolarHBondContact O-CG 3.41Å; Q701-K705 PolarHBondContact O-N 3.17Å
702	F	97.4	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.2	-53.2	176.2	174	-87.8	0	0	0	110.5	W646 T649 L653 V664 L665 C698 F699 Y704 K705 L706 L764	W646-F702 HydrophobicContact CZ3-CB 4.4Å; T649-F702 HydrophobicContact CG2-CD2 3.91Å; T649-F702 HydrophobicContact CG2-CE2 4.34Å; L653-F702 HydrophobicContact CD1-CB 4.34Å; L653-F702 HydrophobicContact CD1-CD2 3.8Å; L653-F702 HydrophobicContact CD1-CG 4.39Å; L653-F702 HydrophobicContact CD2-CD2 4.29Å; L653-F702 HydrophobicContact CD2-CE2 4.28Å; L653-F702 HydrophobicContact CG-CD2 4.48Å; V664-F702 HydrophobicContact CG1-CE2 3.9Å; V664-F702 HydrophobicContact CG1-CZ 4.1Å; V664-F702 HydrophobicContact CG2-CE2 3.86Å; L665-F702 HydrophobicContact CD2-CE1 4.33Å; L665-F702 HydrophobicContact CD2-CE2 4.38Å; L665-F702 HydrophobicContact CD2-CZ 3.7Å; C698-F702 VanDerWaalsContact O-CB 3.32Å; C698-F702 WeakPolarHBondContact O-CB 3.39Å; C698-F702 PolarHBondContact O-N 3.02Å; F699-F702 HydrophobicContact CD2-CD1 4.33Å; F699-F702 HydrophobicContact CE2-CD1 4.14Å; F699-F702 WeakPolarHBondContact O-CB 3.44Å; F699-F702 PolarHBondContact O-N 3.03Å; F702-Y704 VanDerWaalsContact C-N 3.34Å; F702-Y704 PolarHBondContact O-N 3.26Å; F702-K705 PolarHBondContact O-N 2.87Å; F702-L706 HydrophobicContact CE1-CD2 3.7Å; F702-L706 HydrophobicContact CZ-CD2 3.8Å; F702-L706 WeakPolarHBondContact O-CB 3.34Å; F702-L706 PolarHBondContact O-N 2.96Å; F702-L764 HydrophobicContact CD1-CD1 4.45Å; F702-L764 HydrophobicContact CE1-CD1 3.9Å; F702-L764 HydrophobicContact CE1-CD2 4.04Å
703	V	97.2	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-39.9	-179.2	176.3	0	0	0	0	111.3	F699 A707 L764 L767	F699-V703 HydrophobicContact CD1-CG2 4.08Å; F699-V703 HydrophobicContact CE1-CG2 3.67Å; F699-V703 HydrophobicContact CE2-CG2 4.43Å; F699-V703 HydrophobicContact CZ-CG2 3.86Å; F699-V703 WeakPolarHBondContact O-CG2 3.44Å; F699-V703 PolarHBondContact O-N 2.71Å; V703-A707 WeakPolarHBondContact O-CB 3.48Å; V703-A707 PolarHBondContact O-N 3.44Å; V703-L764 HydrophobicContact CG2-CD1 4.07Å; V703-L767 HydrophobicContact CG1-CB 4Å; V703-L767 HydrophobicContact CG2-CD1 4.18Å
704	Y	95.8	Very high	96.8	Very high	151 Å²	151	34.1 Å²	34.1	59%	0.592	17%	0.165	S	C	*	.	H	α-helix	trans	-62.7	-55.8	176.8	178.1	-92.3	0	0	0	111.9	D700 Q701 F702 L706 A707 D708	D700-Y704 WeakPolarHBondContact O-CB 3.31Å; D700-Y704 PolarHBondContact O-N 3.16Å; Q701-Y704 PolarHBondContact O-N 2.93Å; F702-Y704 VanDerWaalsContact C-N 3.34Å; F702-Y704 PolarHBondContact O-N 3.26Å; Y704-L706 VanDerWaalsContact C-N 3.31Å; Y704-L706 PolarHBondContact O-N 3.11Å; Y704-A707 PolarHBondContact O-N 3.35Å; Y704-D708 WeakPolarHBondContact O-CB 3.23Å; Y704-D708 PolarHBondContact O-N 3.33Å
705	K	97	Very high	96.8	Very high	48 Å²	48	33.5 Å²	33.5	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-39.6	-178.9	-71.3	-171.7	179	-168.7	0	111.2	D650 L653 D654 Q701 F702 Q709	D650-K705 VanDerWaalsContact CG-NZ 3.27Å; D650-K705 WeakPolarHBondContact OD1-CE 3.41Å; D650-K705 IonicContact OD1-NZ 3.92Å; D650-K705 PolarHBondContact OD1-NZ 2.93Å; D650-K705 IonicContact OD2-NZ 2.68Å; D650-K705 PolarHBondContact OD2-NZ 3.3Å; D650-K705 VanDerWaalsContact OD2-NZ 3.16Å; L653-K705 HydrophobicContact CB-CB 4.29Å; L653-K705 HydrophobicContact CB-CD 4.16Å; L653-K705 HydrophobicContact CD1-CB 4.27Å; L653-K705 HydrophobicContact CD1-CD 4.37Å; D654-K705 IonicContact OD1-NZ 2.99Å; D654-K705 PolarHBondContact OD1-NZ 3.47Å; D654-K705 IonicContact OD2-NZ 3.22Å; D654-K705 PolarHBondContact OD2-NZ 3.47Å; Q701-K705 WeakPolarHBondContact O-CB 3.36Å; Q701-K705 WeakPolarHBondContact O-CG 3.41Å; Q701-K705 PolarHBondContact O-N 3.17Å; F702-K705 PolarHBondContact O-N 2.87Å; K705-Q709 WeakPolarHBondContact O-CB 3.15Å; K705-Q709 VanDerWaalsContact O-CG 3.23Å; K705-Q709 WeakPolarHBondContact O-CG 3.49Å; K705-Q709 PolarHBondContact O-N 3.28Å; K705-Q709 VanDerWaalsContact O-N 3.14Å; K705-Q709 PolarHBondContact O-NE2 3.23Å
706	L	97.1	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-47	178.6	-176	60.3	0	0	0	112.2	L653 M661 F702 Y704 Q709 I710 Y746 L749 L764 I768	L653-L706 HydrophobicContact CD2-CB 4.34Å; M661-L706 HydrophobicContact SD-CD1 4.17Å; F702-L706 HydrophobicContact CE1-CD2 3.7Å; F702-L706 HydrophobicContact CZ-CD2 3.8Å; F702-L706 WeakPolarHBondContact O-CB 3.34Å; F702-L706 PolarHBondContact O-N 2.96Å; Y704-L706 VanDerWaalsContact C-N 3.31Å; Y704-L706 PolarHBondContact O-N 3.11Å; L706-Q709 VanDerWaalsContact O-CG 3.29Å; L706-Q709 WeakPolarHBondContact O-CG 3.35Å; L706-I710 HydrophobicContact CD1-CD1 3.79Å; L706-I710 HydrophobicContact CD1-CG1 4.21Å; L706-I710 HydrophobicContact CG-CD1 3.76Å; L706-I710 WeakPolarHBondContact O-CB 3.44Å; L706-I710 WeakPolarHBondContact O-CD1 3.42Å; L706-I710 WeakPolarHBondContact O-CG1 3.27Å; L706-I710 PolarHBondContact O-N 3.17Å; L706-Y746 HydrophobicContact CD1-CD1 3.99Å; L706-Y746 HydrophobicContact CD1-CE1 4.11Å; L706-L749 HydrophobicContact CD1-CD1 3.72Å; L706-L749 HydrophobicContact CD2-CB 4.44Å; L706-L749 HydrophobicContact CD2-CD1 4.02Å; L706-L764 HydrophobicContact CD2-CD2 4.27Å; L706-I768 HydrophobicContact CD2-CD1 3.85Å; L706-I768 HydrophobicContact CG-CD1 4.3Å
707	A	97.4	Very high	96.8	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-40.6	178.9	0	0	0	0	0	112.3	V703 Y704 I710 F711 I768 R771	V703-A707 WeakPolarHBondContact O-CB 3.48Å; V703-A707 PolarHBondContact O-N 3.44Å; Y704-A707 PolarHBondContact O-N 3.35Å; A707-I710 PolarHBondContact O-N 3.37Å; A707-F711 WeakPolarHBondContact O-CB 3.47Å; A707-F711 PolarHBondContact O-N 2.83Å; A707-I768 HydrophobicContact CB-CG2 4.37Å; A707-R771 HydrophobicContact CB-CB 3.6Å; A707-R771 HydrophobicContact CB-CG 4.23Å
708	D	95.5	Very high	96.9	Very high	44 Å²	44	27.1 Å²	27.1	24%	0.235	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-47.9	178.2	-174.7	72.9	0	0	0	111.4	Y704 F711 A712 H886	Y704-D708 WeakPolarHBondContact O-CB 3.23Å; Y704-D708 PolarHBondContact O-N 3.33Å; D708-F711 PolarHBondContact O-N 3.22Å; D708-A712 WeakPolarHBondContact O-CB 3.47Å; D708-A712 PolarHBondContact O-N 2.95Å; D708-H886 IonicContact OD1-CE1 3.55Å; D708-H886 PolarHBondContact OD1-CE1 2.93Å; D708-H886 IonicContact OD1-NE2 3.13Å
709	Q	95.8	Very high	96.9	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.023	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-34.5	178.5	73.5	-172.4	-72.9	0	0	113.1	K656 K705 L706 Y713 Y746	K656-Q709 HydrophobicContact CD-CB 4.28Å; K705-Q709 WeakPolarHBondContact O-CB 3.15Å; K705-Q709 VanDerWaalsContact O-CG 3.23Å; K705-Q709 WeakPolarHBondContact O-CG 3.49Å; K705-Q709 PolarHBondContact O-N 3.28Å; K705-Q709 VanDerWaalsContact O-N 3.14Å; K705-Q709 PolarHBondContact O-NE2 3.23Å; L706-Q709 VanDerWaalsContact O-CG 3.29Å; L706-Q709 WeakPolarHBondContact O-CG 3.35Å; Q709-Y713 WeakPolarHBondContact O-CB 3.42Å; Q709-Y713 PolarHBondContact O-N 3.35Å; Q709-Y746 HydrophobicContact CG-CE1 3.84Å; Q709-Y746 PolarHBondContact OE1-OH 3.14Å
710	I	97.8	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.6	-49.7	175	-75.8	172.2	0	0	0	110.3	L706 A707 A712 Y713 Y714 Y746 L750 I768 L812	L706-I710 HydrophobicContact CD1-CD1 3.79Å; L706-I710 HydrophobicContact CD1-CG1 4.21Å; L706-I710 HydrophobicContact CG-CD1 3.76Å; L706-I710 WeakPolarHBondContact O-CB 3.44Å; L706-I710 WeakPolarHBondContact O-CD1 3.42Å; L706-I710 WeakPolarHBondContact O-CG1 3.27Å; L706-I710 PolarHBondContact O-N 3.17Å; A707-I710 PolarHBondContact O-N 3.37Å; I710-A712 PolarHBondContact O-N 2.86Å; I710-Y713 PolarHBondContact O-N 3.41Å; I710-Y714 HydrophobicContact CG2-CD2 3.88Å; I710-Y714 HydrophobicContact CG2-CE2 3.96Å; I710-Y714 VanDerWaalsContact O-CD2 3.28Å; I710-Y714 WeakPolarHBondContact O-CD2 3.34Å; I710-Y714 PolarHBondContact O-N 2.92Å; I710-Y746 HydrophobicContact CD1-CD1 4.08Å; I710-Y746 HydrophobicContact CD1-CG 4.24Å; I710-Y746 HydrophobicContact CG1-CD1 3.57Å; I710-Y746 HydrophobicContact CG1-CD2 4.08Å; I710-Y746 HydrophobicContact CG1-CE1 4.02Å; I710-Y746 HydrophobicContact CG1-CE2 4.49Å; I710-Y746 HydrophobicContact CG1-CG 3.61Å; I710-L750 HydrophobicContact CD1-CD2 3.85Å; I710-L750 HydrophobicContact CD1-CG 4.21Å; I710-L750 HydrophobicContact CG2-CD2 4.36Å; I710-I768 HydrophobicContact CD1-CD1 4.11Å; I710-I768 HydrophobicContact CD1-CG2 4.27Å; I710-L812 HydrophobicContact CG2-CD2 4.21Å
711	F	98.1	Very high	96.9	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-46.9	178.6	-178.4	-104	0	0	0	111.2	A707 D708 Y713 Y714 K715 V772 A775 L776 S779 T808 L812 H886 Y887	A707-F711 WeakPolarHBondContact O-CB 3.47Å; A707-F711 PolarHBondContact O-N 2.83Å; D708-F711 PolarHBondContact O-N 3.22Å; F711-Y713 VanDerWaalsContact C-N 3.34Å; F711-Y713 PolarHBondContact O-N 2.86Å; F711-Y714 PolarHBondContact O-N 2.84Å; F711-K715 WeakPolarHBondContact O-CB 3.26Å; F711-K715 PolarHBondContact O-N 3.29Å; F711-V772 HydrophobicContact CD2-CG1 4.27Å; F711-A775 HydrophobicContact CB-CB 4.44Å; F711-A775 HydrophobicContact CD1-CB 3.74Å; F711-A775 HydrophobicContact CD2-CB 3.9Å; F711-A775 HydrophobicContact CE1-CB 3.9Å; F711-A775 HydrophobicContact CE2-CB 4.06Å; F711-A775 HydrophobicContact CG-CB 3.74Å; F711-A775 HydrophobicContact CZ-CB 4.07Å; F711-L776 HydrophobicContact CE2-CB 4.18Å; F711-L776 HydrophobicContact CE2-CD1 4.4Å; F711-S779 WeakPolarHBondContact CZ-OG 3.25Å; F711-T808 HydrophobicContact CE2-CG2 4.11Å; F711-L812 HydrophobicContact CD2-CD1 4.08Å; F711-L812 HydrophobicContact CE2-CD1 4.34Å; F711-H886 WeakPolarHBondContact CE1-O 3.29Å; F711-Y887 HydrophobicContact CE1-CD1 4.16Å; F711-Y887 HydrophobicContact CE1-CE1 4.39Å
712	A	97.3	Very high	96.9	Very high	14 Å²	14	26.6 Å²	26.6	12%	0.116	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-42.7	177.1	0	0	0	0	0	112.4	D708 I710 K715 I716 H886	D708-A712 WeakPolarHBondContact O-CB 3.47Å; D708-A712 PolarHBondContact O-N 2.95Å; I710-A712 PolarHBondContact O-N 2.86Å; A712-K715 PolarHBondContact O-N 3.36Å; A712-I716 WeakPolarHBondContact O-CB 3.33Å; A712-I716 WeakPolarHBondContact O-CD1 3.24Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.32Å; A712-H886 HydrophobicContact CB-CB 3.7Å
713	Y	97.3	Very high	96.8	Very high	36 Å²	36	26.9 Å²	26.9	14%	0.141	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-53.6	177.4	172.4	-100.1	0	0	0	111.8	Q709 I710 F711 K715 I716 L717 T742 N744 Y746	Q709-Y713 WeakPolarHBondContact O-CB 3.42Å; Q709-Y713 PolarHBondContact O-N 3.35Å; I710-Y713 PolarHBondContact O-N 3.41Å; F711-Y713 VanDerWaalsContact C-N 3.34Å; F711-Y713 PolarHBondContact O-N 2.86Å; Y713-K715 VanDerWaalsContact C-N 3.32Å; Y713-K715 PolarHBondContact O-N 3.26Å; Y713-I716 PolarHBondContact O-N 3.5Å; Y713-L717 HydrophobicContact CE1-CD2 4.4Å; Y713-L717 WeakPolarHBondContact O-CB 3.04Å; Y713-L717 PolarHBondContact O-N 2.79Å; Y713-T742 WeakPolarHBondContact CE2-O 3.43Å; Y713-N744 HydrophobicContact CD2-CB 4.19Å; Y713-N744 HydrophobicContact CE2-CB 3.91Å; Y713-N744 PolarHBondContact OH-N 3.43Å; Y713-Y746 AromaticContact CD1-CD2 3.97Å; Y713-Y746 HydrophobicContact CD1-CD2 3.97Å; Y713-Y746 HydrophobicContact CD1-CE2 4.06Å; Y713-Y746 HydrophobicContact CD2-CE2 4.23Å; Y713-Y746 HydrophobicContact CE1-CD2 4.46Å; Y713-Y746 HydrophobicContact CG-CD2 4.17Å; Y713-Y746 AromaticContact CG-CE2 3.77Å; Y713-Y746 HydrophobicContact CG-CE2 3.77Å
714	Y	97.8	Very high	96.7	Very high	13 Å²	13	31.1 Å²	31.1	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-69.3	-28.8	-178.8	-74.3	-70.4	0	0	0	112.8	I710 F711 L717 A718 L750 L811 L812 F815	I710-Y714 HydrophobicContact CG2-CD2 3.88Å; I710-Y714 HydrophobicContact CG2-CE2 3.96Å; I710-Y714 VanDerWaalsContact O-CD2 3.28Å; I710-Y714 WeakPolarHBondContact O-CD2 3.34Å; I710-Y714 PolarHBondContact O-N 2.92Å; F711-Y714 PolarHBondContact O-N 2.84Å; Y714-L717 HydrophobicContact CD1-CD2 4.24Å; Y714-A718 WeakPolarHBondContact O-CB 3.42Å; Y714-A718 PolarHBondContact O-N 3.14Å; Y714-L750 HydrophobicContact CE2-CD1 4.16Å; Y714-L811 HydrophobicContact CD1-CB 3.84Å; Y714-L811 HydrophobicContact CD1-CD1 4.42Å; Y714-L812 HydrophobicContact CD2-CD2 3.43Å; Y714-L812 VanDerWaalsContact CD2-CD2 3.43Å; Y714-L812 HydrophobicContact CD2-CG 4.36Å; Y714-L812 HydrophobicContact CE2-CD2 4.17Å; Y714-L812 HydrophobicContact CG-CD2 3.86Å; Y714-L812 HydrophobicContact CG-CG 4.31Å; Y714-F815 HydrophobicContact CE1-CE2 4.22Å; Y714-F815 AromaticContact CZ-CE2 3.89Å; Y714-F815 VanDerWaalsContact OH-CE2 3.24Å; Y714-F815 WeakPolarHBondContact OH-CE2 3.45Å
715	K	97.8	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-48.3	171	-178.2	67.5	67.3	72.6	0	112	F711 A712 Y713 L717 A718 G719 S779 V804 N805 T808 H886 Y887 L888	F711-K715 WeakPolarHBondContact O-CB 3.26Å; F711-K715 PolarHBondContact O-N 3.29Å; A712-K715 PolarHBondContact O-N 3.36Å; Y713-K715 VanDerWaalsContact C-N 3.32Å; Y713-K715 PolarHBondContact O-N 3.26Å; K715-L717 PolarHBondContact O-N 3.13Å; K715-A718 PolarHBondContact O-N 2.67Å; K715-G719 PolarHBondContact O-N 2.71Å; K715-S779 PolarHBondContact NZ-OG 3.08Å; K715-V804 HydrophobicContact CD-CG1 3.76Å; K715-N805 VanDerWaalsContact CE-OD1 3.25Å; K715-N805 WeakPolarHBondContact CE-OD1 3.39Å; K715-N805 PolarHBondContact NZ-OD1 3.28Å; K715-T808 HydrophobicContact CB-CG2 4.34Å; K715-T808 HydrophobicContact CD-CG2 4.43Å; K715-T808 WeakPolarHBondContact CD-OG1 3.3Å; K715-T808 VanDerWaalsContact CE-OG1 3.32Å; K715-T808 WeakPolarHBondContact CE-OG1 3.46Å; K715-H886 VanDerWaalsContact CG-O 3.31Å; K715-H886 WeakPolarHBondContact CG-O 3.33Å; K715-H886 PolarHBondContact NZ-O 3.49Å; K715-Y887 PolarHBondContact NZ-O 3.5Å; K715-L888 WeakPolarHBondContact CD-O 3.24Å; K715-L888 PolarHBondContact NZ-O 3.38Å
716	I	97.2	Very high	96.5	Very high	44 Å²	44	37.7 Å²	37.7	23%	0.226	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-38.9	177.7	-66.4	163.6	0	0	0	110.1	A712 Y713 S720 P741 G890 L894	A712-I716 WeakPolarHBondContact O-CB 3.33Å; A712-I716 WeakPolarHBondContact O-CD1 3.24Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.32Å; Y713-I716 PolarHBondContact O-N 3.5Å; I716-S720 WeakPolarHBondContact O-CB 3.41Å; I716-S720 PolarHBondContact O-N 3.42Å; I716-S720 PolarHBondContact O-OG 3.36Å; I716-P741 HydrophobicContact CG2-CB 3.74Å; I716-P741 HydrophobicContact CG2-CG 4.09Å; I716-G890 VanDerWaalsContact CG1-C 3.47Å; I716-G890 WeakPolarHBondContact CG1-O 3.45Å; I716-L894 HydrophobicContact CG2-CD1 4.06Å
717	L	96.7	Very high	96.3	Very high	37 Å²	37	40 Å²	40	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-48.7	175.4	-177	59.1	0	0	0	111.4	Y713 Y714 K715 S720 L721 P741 L811	Y713-L717 HydrophobicContact CE1-CD2 4.4Å; Y713-L717 WeakPolarHBondContact O-CB 3.04Å; Y713-L717 PolarHBondContact O-N 2.79Å; Y714-L717 HydrophobicContact CD1-CD2 4.24Å; K715-L717 PolarHBondContact O-N 3.13Å; L717-S720 PolarHBondContact O-N 2.82Å; L717-S720 VanDerWaalsContact O-N 3.14Å; L717-L721 HydrophobicContact CD1-CD1 4.3Å; L717-L721 HydrophobicContact CD1-CG 4.22Å; L717-L721 HydrophobicContact CG-CD1 4.08Å; L717-L721 HydrophobicContact CG-CG 4.44Å; L717-L721 WeakPolarHBondContact O-CB 3.22Å; L717-L721 VanDerWaalsContact O-CG 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.44Å; L717-L721 PolarHBondContact O-N 2.78Å; L717-P741 HydrophobicContact CD1-CG 4.45Å; L717-L811 HydrophobicContact CB-CD1 4.37Å; L717-L811 HydrophobicContact CD2-CD1 4.08Å; L717-L811 HydrophobicContact CG-CD1 4.08Å
718	A	97.5	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-51.3	176.2	0	0	0	0	0	112.2	Y714 K715 S720 L721 L722 V804 M807 T808 L811	Y714-A718 WeakPolarHBondContact O-CB 3.42Å; Y714-A718 PolarHBondContact O-N 3.14Å; K715-A718 PolarHBondContact O-N 2.67Å; A718-S720 PolarHBondContact O-N 2.88Å; A718-L721 PolarHBondContact O-N 3.49Å; A718-L722 PolarHBondContact O-N 2.73Å; A718-L722 VanDerWaalsContact O-N 3.16Å; A718-V804 HydrophobicContact CB-CG1 4.33Å; A718-M807 HydrophobicContact CB-CB 3.96Å; A718-M807 HydrophobicContact CB-CG 3.81Å; A718-T808 VanDerWaalsContact CB-OG1 3.31Å; A718-T808 WeakPolarHBondContact CB-OG1 3.36Å; A718-L811 HydrophobicContact CB-CD1 4.11Å
719	G	96.8	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-31.7	176.2	0	0	0	0	0	112.4	K715 L723 Y898	K715-G719 PolarHBondContact O-N 2.71Å; G719-L723 WeakPolarHBondContact O-CB 3.37Å; G719-L723 PolarHBondContact O-N 2.85Å; G719-Y898 WeakPolarHBondContact O-CE2 3.45Å; G719-Y898 PolarHBondContact O-OH 2.98Å
720	S	96	Very high	95.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-76.6	-37.1	177.9	-64.9	0	0	0	0	113.9	I716 L717 A718 R728 P741	I716-S720 WeakPolarHBondContact O-CB 3.41Å; I716-S720 PolarHBondContact O-N 3.42Å; I716-S720 PolarHBondContact O-OG 3.36Å; L717-S720 PolarHBondContact O-N 2.82Å; L717-S720 VanDerWaalsContact O-N 3.14Å; A718-S720 PolarHBondContact O-N 2.88Å; S720-R728 VanDerWaalsContact CB-NH2 3.33Å; S720-R728 PolarHBondContact O-NH2 2.97Å; S720-P741 WeakPolarHBondContact OG-CD 3.42Å
721	L	96.1	Very high	95.5	Very high	88 Å²	88	44.8 Å²	44.8	46%	0.461	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-37.8	178.5	-75	171.4	0	0	0	112.2	L717 A718 L811	L717-L721 HydrophobicContact CD1-CD1 4.3Å; L717-L721 HydrophobicContact CD1-CG 4.22Å; L717-L721 HydrophobicContact CG-CD1 4.08Å; L717-L721 HydrophobicContact CG-CG 4.44Å; L717-L721 WeakPolarHBondContact O-CB 3.22Å; L717-L721 VanDerWaalsContact O-CG 3.27Å; L717-L721 WeakPolarHBondContact O-CG 3.44Å; L717-L721 PolarHBondContact O-N 2.78Å; A718-L721 PolarHBondContact O-N 3.49Å; L721-L811 HydrophobicContact CD1-CD1 4.26Å
722	L	96.3	Very high	95.3	Very high	69 Å²	69	51.1 Å²	51.1	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-86.9	-12.4	-178.3	-65.2	178.3	0	0	0	113.8	A718 D724 E803 V804 M807 Y898	A718-L722 PolarHBondContact O-N 2.73Å; A718-L722 VanDerWaalsContact O-N 3.16Å; L722-D724 PolarHBondContact O-N 3.46Å; L722-E803 HydrophobicContact CD1-CG 4.2Å; L722-V804 HydrophobicContact CD1-CG2 3.9Å; L722-M807 HydrophobicContact CD1-CB 3.94Å; L722-M807 HydrophobicContact CD1-CG 4.4Å; L722-M807 HydrophobicContact CD2-CE 4.18Å; L722-Y898 VanDerWaalsContact C-OH 3.27Å
723	L	95.4	Very high	95.1	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	28%	0.278	C	S	.	.	S	Bend	trans	-68.7	133.5	-179.5	-172.3	66.5	0	0	0	110.6	G719 K725 L727 R728 I738 L894 A897 Y898	G719-L723 WeakPolarHBondContact O-CB 3.37Å; G719-L723 PolarHBondContact O-N 2.85Å; L723-K725 PolarHBondContact O-N 2.91Å; L723-L727 HydrophobicContact CD1-CD2 4.18Å; L723-R728 HydrophobicContact CD2-CG 3.83Å; L723-R728 HydrophobicContact CG-CG 4.29Å; L723-I738 HydrophobicContact CD2-CD1 3.93Å; L723-I738 HydrophobicContact CD2-CG2 4.05Å; L723-L894 HydrophobicContact CD2-CD2 3.99Å; L723-A897 HydrophobicContact CD1-CB 4.17Å; L723-A897 HydrophobicContact CD2-CB 4.33Å; L723-Y898 WeakPolarHBondContact CA-OH 3.5Å; L723-Y898 HydrophobicContact CD1-CD2 4.37Å; L723-Y898 HydrophobicContact CD1-CE1 4.19Å; L723-Y898 HydrophobicContact CD1-CE2 4.04Å; L723-Y898 PolarHBondContact N-OH 3.19Å; L723-Y898 VanDerWaalsContact N-OH 3.07Å
724	D	94.9	Very high	94.9	Very high	90 Å²	90	62.5 Å²	62.5	48%	0.481	31%	0.306	S	S	.	.			trans	-54.5	129.2	-178.5	177.4	53.4	0	0	0	112.3	L722 R726 L727 R728	L722-D724 PolarHBondContact O-N 3.46Å; D724-R726 VanDerWaalsContact C-N 3.34Å; D724-R726 PolarHBondContact O-N 2.87Å; D724-R726 WeakPolarHBondContact OD2-CB 3.29Å; D724-R726 PolarHBondContact OD2-N 3.45Å; D724-L727 HydrophobicContact CB-CB 4.1Å; D724-L727 PolarHBondContact OD2-N 3.21Å; D724-R728 PolarHBondContact O-N 2.85Å
725	K	93.9	Very high	94.5	Very high	153 Å²	153	65.2 Å²	65.2	67%	0.665	34%	0.338	S	S	*	.	H	α-helix	trans	-72.8	-30.2	-174.6	-61.6	-146.6	-178.3	-164.2	0	112.1	L723 A729	L723-K725 PolarHBondContact O-N 2.91Å; K725-A729 PolarHBondContact O-N 2.78Å
726	R	93.8	Very high	94.2	Very high	185 Å²	185	68.1 Å²	68.1	70%	0.698	36%	0.361	S	S	*	.	H	α-helix	trans	-70.6	-45.8	177.8	-177.9	176.8	-179.1	171.9	2.1	110.6	D724 R728 A729 D730	D724-R726 VanDerWaalsContact C-N 3.34Å; D724-R726 PolarHBondContact O-N 2.87Å; D724-R726 WeakPolarHBondContact OD2-CB 3.29Å; D724-R726 PolarHBondContact OD2-N 3.45Å; R726-R728 VanDerWaalsContact C-N 3.29Å; R726-R728 PolarHBondContact O-N 3Å; R726-A729 WeakPolarHBondContact O-CB 3.32Å; R726-A729 PolarHBondContact O-N 3.3Å; R726-D730 PolarHBondContact O-N 3.11Å
727	L	93	Very high	93.8	Very high	49 Å²	49	70.6 Å²	70.6	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-53	-46.8	172.7	178.1	62.7	0	0	0	111.7	L723 D724 A729 D730 C731	L723-L727 HydrophobicContact CD1-CD2 4.18Å; D724-L727 HydrophobicContact CB-CB 4.1Å; D724-L727 PolarHBondContact OD2-N 3.21Å; L727-A729 VanDerWaalsContact C-N 3.32Å; L727-A729 PolarHBondContact O-N 2.97Å; L727-D730 PolarHBondContact O-N 3.43Å; L727-C731 WeakPolarHBondContact O-CB 3.47Å; L727-C731 PolarHBondContact O-N 3.16Å; L727-C731 PolarHBondContact O-SG 3.47Å
728	R	92.5	Very high	93.6	Very high	17 Å²	17	69.4 Å²	69.4	6%	0.064	37%	0.369	C	S	.	.	H	α-helix	trans	-58.5	-42.4	175.9	-73.8	-177.4	177.8	-86.3	3.6	112.8	S720 L723 D724 R726 K732 I738	S720-R728 VanDerWaalsContact CB-NH2 3.33Å; S720-R728 PolarHBondContact O-NH2 2.97Å; L723-R728 HydrophobicContact CD2-CG 3.83Å; L723-R728 HydrophobicContact CG-CG 4.29Å; D724-R728 PolarHBondContact O-N 2.85Å; R726-R728 VanDerWaalsContact C-N 3.29Å; R726-R728 PolarHBondContact O-N 3Å; R728-K732 WeakPolarHBondContact O-CB 3.36Å; R728-K732 PolarHBondContact O-N 3.47Å; R728-I738 PolarHBondContact NH1-O 2.76Å; R728-I738 VanDerWaalsContact NH1-O 3.09Å
729	A	92.8	Very high	93.1	Very high	45 Å²	45	73.2 Å²	73.2	37%	0.372	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-43.4	178.5	0	0	0	0	0	111.6	K725 R726 L727 K732 N733	K725-A729 PolarHBondContact O-N 2.78Å; R726-A729 WeakPolarHBondContact O-CB 3.32Å; R726-A729 PolarHBondContact O-N 3.3Å; L727-A729 VanDerWaalsContact C-N 3.32Å; L727-A729 PolarHBondContact O-N 2.97Å; A729-K732 WeakPolarHBondContact O-CB 3.27Å; A729-K732 PolarHBondContact O-N 3.24Å; A729-N733 PolarHBondContact O-N 3.39Å; A729-N733 PolarHBondContact O-ND2 3.45Å
730	D	93	Very high	92.7	Very high	66 Å²	66	79.8 Å²	79.8	35%	0.353	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-44.8	179.1	-68.5	-20.4	0	0	0	111.3	R726 L727 K732 N733 Q734	R726-D730 PolarHBondContact O-N 3.11Å; L727-D730 PolarHBondContact O-N 3.43Å; D730-K732 VanDerWaalsContact C-N 3.31Å; D730-K732 PolarHBondContact O-N 3.08Å; D730-N733 PolarHBondContact O-N 3.02Å; D730-N733 VanDerWaalsContact O-N 3.17Å; D730-Q734 WeakPolarHBondContact O-CG 3.22Å; D730-Q734 PolarHBondContact O-N 3.17Å
731	C	92.4	Very high	92.5	Very high	23 Å²	23	81.5 Å²	81.5	16%	0.155	43%	0.43	C	S	.	.	H	α-helix	trans	-60.6	-39.4	174.2	-70.2	0	0	0	0	112.2	L727 Q734 G735 A736 I738	L727-C731 WeakPolarHBondContact O-CB 3.47Å; L727-C731 PolarHBondContact O-N 3.16Å; L727-C731 PolarHBondContact O-SG 3.47Å; C731-Q734 PolarHBondContact O-N 3.03Å; C731-G735 PolarHBondContact O-N 2.69Å; C731-A736 WeakPolarHBondContact CB-O 3.31Å; C731-A736 CarbonylContact O-C 3.59Å; C731-A736 WeakPolarHBondContact O-CA 3.33Å; C731-A736 PolarHBondContact O-N 3.31Å; C731-I738 HydrophobicContact CB-CD1 4.37Å; C731-I738 HydrophobicContact CB-CG1 4.33Å
732	K	92.3	Very high	92.2	Very high	137 Å²	137	83.1 Å²	83.1	60%	0.596	44%	0.443	S	S	*	.	H	α-helix	trans	-63	-42.8	174.7	-175.1	-179.3	178.3	-176.4	0	111.6	R728 A729 D730 Q734 G735	R728-K732 WeakPolarHBondContact O-CB 3.36Å; R728-K732 PolarHBondContact O-N 3.47Å; A729-K732 WeakPolarHBondContact O-CB 3.27Å; A729-K732 PolarHBondContact O-N 3.24Å; D730-K732 VanDerWaalsContact C-N 3.31Å; D730-K732 PolarHBondContact O-N 3.08Å; K732-Q734 PolarHBondContact O-N 3.48Å; K732-G735 PolarHBondContact O-N 3.13Å; K732-G735 VanDerWaalsContact O-N 3.14Å
733	N	93.9	Very high	92	Very high	133 Å²	133	83.9 Å²	83.9	71%	0.711	45%	0.454	S	S	*	.	H	α-helix	trans	-65.7	-28	178	-66.4	-21.1	0	0	0	112.6	A729 D730 G735	A729-N733 PolarHBondContact O-N 3.39Å; A729-N733 PolarHBondContact O-ND2 3.45Å; D730-N733 PolarHBondContact O-N 3.02Å; D730-N733 VanDerWaalsContact O-N 3.17Å; N733-G735 VanDerWaalsContact C-N 3.33Å
734	Q	93.1	Very high	91.9	Very high	156 Å²	156	84.6 Å²	84.6	73%	0.729	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	3.3	176.1	-66.9	174.3	5.2	0	0	113.8	D730 C731 K732 A736	D730-Q734 WeakPolarHBondContact O-CG 3.22Å; D730-Q734 PolarHBondContact O-N 3.17Å; C731-Q734 PolarHBondContact O-N 3.03Å; K732-Q734 PolarHBondContact O-N 3.48Å; Q734-A736 VanDerWaalsContact C-N 3.28Å; Q734-A736 PolarHBondContact O-N 3.03Å
735	G	89.7	Confident	91.8	Very high	70 Å²	70	86 Å²	86	72%	0.722	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	4.4	-178	0	0	0	0	0	115	C731 K732 N733	C731-G735 PolarHBondContact O-N 2.69Å; K732-G735 PolarHBondContact O-N 3.13Å; K732-G735 VanDerWaalsContact O-N 3.14Å; N733-G735 VanDerWaalsContact C-N 3.33Å
736	A	90.7	Very high	91.9	Very high	60 Å²	60	78.9 Å²	78.9	50%	0.496	43%	0.426	S	S	.	.			trans	-102.1	54.7	178.4	0	0	0	0	0	111.5	C731 Q734 I738	C731-A736 WeakPolarHBondContact CB-O 3.31Å; C731-A736 CarbonylContact O-C 3.59Å; C731-A736 WeakPolarHBondContact O-CA 3.33Å; C731-A736 PolarHBondContact O-N 3.31Å; Q734-A736 VanDerWaalsContact C-N 3.28Å; Q734-A736 PolarHBondContact O-N 3.03Å; A736-I738 PolarHBondContact O-N 2.95Å
737	N	89.3	Confident	91.9	Very high	96 Å²	96	73.9 Å²	73.9	51%	0.513	41%	0.41	S	S	.	.			trans	-60.6	129.1	-172.2	-174	33.4	0	0	0	112.9	P739	N737-P739 VanDerWaalsContact O-CD 3.3Å; N737-P739 WeakPolarHBondContact O-CD 3.2Å
738	I	91.7	Very high	91.8	Very high	13 Å²	13	72.2 Å²	72.2	7%	0.067	40%	0.402	C	S	.	.			trans	-92.4	103.7	173.1	-54.9	175.4	0	0	0	107.7	L723 R728 C731 A736 T893 L894 A897	L723-I738 HydrophobicContact CD2-CD1 3.93Å; L723-I738 HydrophobicContact CD2-CG2 4.05Å; R728-I738 PolarHBondContact NH1-O 2.76Å; R728-I738 VanDerWaalsContact NH1-O 3.09Å; C731-I738 HydrophobicContact CB-CD1 4.37Å; C731-I738 HydrophobicContact CB-CG1 4.33Å; A736-I738 PolarHBondContact O-N 2.95Å; I738-T893 HydrophobicContact CG1-CG2 4.41Å; I738-T893 HydrophobicContact CG2-CG2 4.07Å; I738-L894 HydrophobicContact CG2-CD2 4.39Å; I738-A897 HydrophobicContact CD1-CB 3.93Å
739	P	88	Confident	91.8	Very high	79 Å²	79	71.4 Å²	71.4	51%	0.513	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.9	152.3	-173.5	27.6	-34.4	0	0	0	112	N737	N737-P739 VanDerWaalsContact O-CD 3.3Å; N737-P739 WeakPolarHBondContact O-CD 3.2Å
740	W	88.9	Confident	91.9	Very high	138 Å²	138	69.3 Å²	69.3	52%	0.523	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-77.1	145.5	164.4	-75.9	94.2	0	0	0	109.5
741	P	90.5	Very high	91.9	Very high	39 Å²	39	70.5 Å²	70.5	25%	0.253	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.8	141.2	173.3	26.3	-32.8	0	0	0	111	I716 L717 S720	I716-P741 HydrophobicContact CG2-CB 3.74Å; I716-P741 HydrophobicContact CG2-CG 4.09Å; L717-P741 HydrophobicContact CD1-CG 4.45Å; S720-P741 WeakPolarHBondContact OG-CD 3.42Å
742	T	89.3	Confident	91.8	Very high	122 Å²	122	69.5 Å²	69.5	75%	0.748	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-63.6	133.9	171	-47.6	0	0	0	0	109.6	Y713	Y713-T742 WeakPolarHBondContact CE2-O 3.43Å
743	S	92.7	Very high	91.6	Very high	84 Å²	84	68.9 Å²	68.9	59%	0.587	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-66	148.8	175.1	-166.8	0	0	0	0	111.1	A658	A658-S743 VanDerWaalsContact CB-O 3.3Å; A658-S743 WeakPolarHBondContact CB-O 3.38Å
744	N	94	Very high	91.4	Very high	21 Å²	21	65.8 Å²	65.8	11%	0.112	35%	0.352	C	S	.	.			trans	-138.9	166.9	179	-150.1	-45.7	0	0	0	110.8	K656 A658 Y713 Y746	K656-N744 PolarHBondContact O-ND2 3.29Å; A658-N744 WeakPolarHBondContact CA-OD1 3.48Å; A658-N744 HydrophobicContact CB-CB 4.34Å; Y713-N744 HydrophobicContact CD2-CB 4.19Å; Y713-N744 HydrophobicContact CE2-CB 3.91Å; Y713-N744 PolarHBondContact OH-N 3.43Å; N744-Y746 HydrophobicContact CB-CD2 4Å; N744-Y746 HydrophobicContact CB-CE2 3.56Å; N744-Y746 PolarHBondContact ND2-OH 2.85Å
745	R	93.1	Very high	91.2	Very high	119 Å²	119	58.8 Å²	58.8	45%	0.449	32%	0.319	S	S	.	.			trans	-118.7	55.6	-168.7	-62.6	-66.6	-64.4	-176.4	-4	112.2	M661 E662 E747	M661-R745 HydrophobicContact CB-CB 4.48Å; E662-R745 HydrophobicContact CG-CB 3.91Å; E662-R745 IonicContact OE1-CZ 2.71Å; E662-R745 IonicContact OE1-NE 3.16Å; E662-R745 PolarHBondContact OE1-NE 2.86Å; E662-R745 IonicContact OE1-NH2 3.66Å; E662-R745 PolarHBondContact OE1-NH2 3.25Å; R745-E747 VanDerWaalsContact C-N 3.32Å
746	Y	95.5	Very high	91.1	Very high	5 Å²	5	58.6 Å²	58.6	2%	0.02	30%	0.3	C	S	.	.			trans	-79.2	-12.3	177.3	-60.1	-66	0	0	0	114.3	M661 L706 Q709 I710 Y713 N744 T748 L749 L750	M661-Y746 HydrophobicContact CE-CD1 4.35Å; M661-Y746 HydrophobicContact CE-CE1 3.53Å; M661-Y746 HydrophobicContact CG-CD1 3.66Å; M661-Y746 HydrophobicContact CG-CE1 3.82Å; M661-Y746 HydrophobicContact SD-CD1 3.84Å; M661-Y746 HydrophobicContact SD-CE1 3.56Å; M661-Y746 VanDerWaalsContact SD-CE1 3.56Å; L706-Y746 HydrophobicContact CD1-CD1 3.99Å; L706-Y746 HydrophobicContact CD1-CE1 4.11Å; Q709-Y746 HydrophobicContact CG-CE1 3.84Å; Q709-Y746 PolarHBondContact OE1-OH 3.14Å; I710-Y746 HydrophobicContact CD1-CD1 4.08Å; I710-Y746 HydrophobicContact CD1-CG 4.24Å; I710-Y746 HydrophobicContact CG1-CD1 3.57Å; I710-Y746 HydrophobicContact CG1-CD2 4.08Å; I710-Y746 HydrophobicContact CG1-CE1 4.02Å; I710-Y746 HydrophobicContact CG1-CE2 4.49Å; I710-Y746 HydrophobicContact CG1-CG 3.61Å; Y713-Y746 AromaticContact CD1-CD2 3.97Å; Y713-Y746 HydrophobicContact CD1-CD2 3.97Å; Y713-Y746 HydrophobicContact CD1-CE2 4.06Å; Y713-Y746 HydrophobicContact CD2-CE2 4.23Å; Y713-Y746 HydrophobicContact CE1-CD2 4.46Å; Y713-Y746 HydrophobicContact CG-CD2 4.17Å; Y713-Y746 AromaticContact CG-CE2 3.77Å; Y713-Y746 HydrophobicContact CG-CE2 3.77Å; N744-Y746 HydrophobicContact CB-CD2 4Å; N744-Y746 HydrophobicContact CB-CE2 3.56Å; N744-Y746 PolarHBondContact ND2-OH 2.85Å; Y746-T748 VanDerWaalsContact C-N 3.32Å; Y746-T748 PolarHBondContact O-N 2.93Å; Y746-L749 PolarHBondContact O-N 3.41Å; Y746-L750 WeakPolarHBondContact O-CG 3.44Å; Y746-L750 PolarHBondContact O-N 2.93Å
747	E	92.6	Very high	91.1	Very high	79 Å²	79	56 Å²	56	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-37.1	-170	-57.3	-174.4	173.7	0	0	113.4	R745 K751 F815	R745-E747 VanDerWaalsContact C-N 3.32Å; E747-K751 VanDerWaalsContact O-CG 3.29Å; E747-K751 WeakPolarHBondContact O-CG 3.39Å; E747-K751 PolarHBondContact O-N 3.42Å; E747-F815 HydrophobicContact CB-CE1 4.08Å; E747-F815 HydrophobicContact CB-CZ 4.5Å; E747-F815 HydrophobicContact CG-CE1 3.76Å; E747-F815 HydrophobicContact CG-CZ 3.7Å
748	T	91	Very high	91.2	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-43.3	178.6	52.6	0	0	0	0	111	P27 E662 Y746 K751 Q752	P27-T748 HydrophobicContact CB-CG2 4.09Å; P27-T748 HydrophobicContact CG-CG2 4.16Å; E662-T748 HydrophobicContact CG-CG2 4.26Å; Y746-T748 VanDerWaalsContact C-N 3.32Å; Y746-T748 PolarHBondContact O-N 2.93Å; T748-K751 PolarHBondContact O-N 3.05Å; T748-K751 VanDerWaalsContact O-N 3.14Å; T748-Q752 WeakPolarHBondContact O-CG 3.2Å; T748-Q752 PolarHBondContact O-NE2 2.91Å
749	L	93.4	Very high	90.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-42.9	174.6	-66.7	176.9	0	0	0	112.1	I29 M661 V664 L665 L706 Y746 K751 Q752	I29-L749 HydrophobicContact CD1-CD2 3.96Å; M661-L749 HydrophobicContact CG-CD1 3.75Å; M661-L749 HydrophobicContact SD-CD1 3.69Å; V664-L749 HydrophobicContact CG1-CD1 3.84Å; V664-L749 HydrophobicContact CG1-CD2 3.8Å; V664-L749 HydrophobicContact CG1-CG 4.43Å; L665-L749 HydrophobicContact CD1-CD2 3.87Å; L665-L749 HydrophobicContact CD2-CD2 4.21Å; L665-L749 HydrophobicContact CG-CD2 3.78Å; L706-L749 HydrophobicContact CD1-CD1 3.72Å; L706-L749 HydrophobicContact CD2-CB 4.44Å; L706-L749 HydrophobicContact CD2-CD1 4.02Å; Y746-L749 PolarHBondContact O-N 3.41Å; L749-K751 PolarHBondContact O-N 3.48Å; L749-Q752 PolarHBondContact O-N 3.3Å; L749-Q752 VanDerWaalsContact O-N 3.16Å
750	L	94.3	Very high	90.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-21.5	176.2	-72.9	173.4	0	0	0	112.7	I710 Y714 Y746 N765 I768 F815 L816	I710-L750 HydrophobicContact CD1-CD2 3.85Å; I710-L750 HydrophobicContact CD1-CG 4.21Å; I710-L750 HydrophobicContact CG2-CD2 4.36Å; Y714-L750 HydrophobicContact CE2-CD1 4.16Å; Y746-L750 WeakPolarHBondContact O-CG 3.44Å; Y746-L750 PolarHBondContact O-N 2.93Å; L750-N765 WeakPolarHBondContact O-CB 3.38Å; L750-N765 PolarHBondContact O-ND2 3.23Å; L750-I768 HydrophobicContact CD2-CB 4.5Å; L750-I768 HydrophobicContact CD2-CD1 4.05Å; L750-I768 HydrophobicContact CD2-CG2 3.81Å; L750-F815 HydrophobicContact CB-CB 4.02Å; L750-F815 HydrophobicContact CD1-CB 3.89Å; L750-F815 HydrophobicContact CD1-CD2 3.96Å; L750-F815 HydrophobicContact CD1-CG 3.97Å; L750-F815 HydrophobicContact CG-CB 4.49Å; L750-L816 HydrophobicContact CD2-CD1 4.38Å; L750-L816 HydrophobicContact CD2-CD2 3.62Å; L750-L816 HydrophobicContact CD2-CG 4.25Å
751	K	92.6	Very high	91	Very high	92 Å²	92	53.8 Å²	53.8	40%	0.4	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.2	178.2	-73.1	172.5	-178.5	-179.5	0	113.9	P27 E747 T748 L749 R753	P27-K751 HydrophobicContact CG-CB 4.26Å; P27-K751 HydrophobicContact CG-CD 3.85Å; E747-K751 VanDerWaalsContact O-CG 3.29Å; E747-K751 WeakPolarHBondContact O-CG 3.39Å; E747-K751 PolarHBondContact O-N 3.42Å; T748-K751 PolarHBondContact O-N 3.05Å; T748-K751 VanDerWaalsContact O-N 3.14Å; L749-K751 PolarHBondContact O-N 3.48Å; K751-R753 PolarHBondContact O-N 2.95Å
752	Q	91.2	Very high	91	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.283	C	S	.	.			trans	-75	119.6	-177.8	-56.9	-53.2	-64.7	0	0	111.1	P27 I29 E30 L665 T748 L749 V755 L764 N765	P27-Q752 PolarHBondContact O-NE2 3.36Å; I29-Q752 HydrophobicContact CD1-CG 4.1Å; I29-Q752 HydrophobicContact CG1-CG 4.37Å; E30-Q752 PolarHBondContact OE1-OE1 2.99Å; L665-Q752 HydrophobicContact CD1-CG 3.92Å; T748-Q752 WeakPolarHBondContact O-CG 3.2Å; T748-Q752 PolarHBondContact O-NE2 2.91Å; L749-Q752 PolarHBondContact O-N 3.3Å; L749-Q752 VanDerWaalsContact O-N 3.16Å; Q752-V755 HydrophobicContact CB-CG2 3.9Å; Q752-L764 HydrophobicContact CB-CB 4.21Å; Q752-L764 HydrophobicContact CB-CD2 4.38Å; Q752-L764 PolarHBondContact O-N 3.28Å; Q752-N765 PolarHBondContact O-N 3.02Å
753	R	89.1	Confident	91.3	Very high	125 Å²	125	49.6 Å²	49.6	47%	0.472	26%	0.258	S	S	.	.	S	Bend	trans	-109	-15.5	-177.5	-55.9	-54.3	-64.3	-80.6	-3.7	113.8	Q26 K751 D763	Q26-R753 VanDerWaalsContact OE1-N 3.08Å; K751-R753 PolarHBondContact O-N 2.95Å; R753-D763 IonicContact CZ-OD2 2.99Å; R753-D763 IonicContact NE-OD1 3.19Å; R753-D763 PolarHBondContact NE-OD1 3.42Å; R753-D763 IonicContact NE-OD2 3.46Å; R753-D763 PolarHBondContact NE-OD2 3.47Å; R753-D763 IonicContact NH2-OD2 3.67Å; R753-D763 PolarHBondContact NH2-OD2 3.08Å; R753-D763 VanDerWaalsContact O-CA 3.22Å; R753-D763 WeakPolarHBondContact O-CA 3.46Å; R753-D763 WeakPolarHBondContact O-CB 3.34Å
754	H	88	Confident	91.4	Very high	68 Å²	68	45.6 Å²	45.6	32%	0.315	23%	0.23	S	C	.	.			trans	-150.4	50.8	-170.6	46.5	66.4	0	0	0	113.8	D24 Q26 Q756 S761 I762	D24-H754 IonicContact OD2-CD2 2.62Å; D24-H754 IonicContact OD2-NE2 3.33Å; D24-H754 PolarHBondContact OD2-NE2 2.94Å; Q26-H754 VanDerWaalsContact CD-CE1 3.42Å; Q26-H754 PolarHBondContact NE2-CE1 3.09Å; Q26-H754 PolarHBondContact OE1-CD2 2.7Å; Q26-H754 PolarHBondContact OE1-CE1 3.37Å; Q26-H754 PolarHBondContact OE1-NE2 3.04Å; H754-Q756 PolarHBondContact O-N 3.3Å; H754-Q756 PolarHBondContact O-NE2 2.89Å; H754-S761 WeakPolarHBondContact CA-OG 3.15Å; H754-S761 WeakPolarHBondContact CB-OG 3.07Å; H754-I762 CarbonylContact C-O 3.59Å
755	V	89.6	Confident	91.5	Very high	8 Å²	8	45.3 Å²	45.3	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	120.9	178.2	-173.6	0	0	0	0	110.7	E30 Q752 L757 I762 L764	E30-V755 VanDerWaalsContact OE1-CA 3.22Å; E30-V755 WeakPolarHBondContact OE1-CA 3.38Å; E30-V755 WeakPolarHBondContact OE1-CG2 3.15Å; E30-V755 WeakPolarHBondContact OE2-CA 3.36Å; Q752-V755 HydrophobicContact CB-CG2 3.9Å; V755-L757 PolarHBondContact O-N 3.36Å; V755-I762 HydrophobicContact CB-CB 4.31Å; V755-I762 PolarHBondContact N-O 3.44Å; V755-I762 PolarHBondContact O-N 3.13Å; V755-L764 HydrophobicContact CG2-CB 3.94Å; V755-L764 HydrophobicContact CG2-CD2 4.45Å
756	Q	87.2	Confident	91.6	Very high	67 Å²	67	47.1 Å²	47.1	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.4	-177.9	-59.3	-64.8	-35.7	0	0	110.8	E30 P33 N672 H754 R760 S761	E30-Q756 PolarHBondContact OE2-N 2.67Å; P33-Q756 HydrophobicContact CB-CB 4.48Å; P33-Q756 HydrophobicContact CB-CG 4.14Å; N672-Q756 PolarHBondContact ND2-O 3.26Å; H754-Q756 PolarHBondContact O-N 3.3Å; H754-Q756 PolarHBondContact O-NE2 2.89Å; Q756-R760 WeakPolarHBondContact CA-O 3.39Å; Q756-S761 PolarHBondContact NE2-OG 2.62Å
757	L	91	Very high	91.7	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	123.4	-177.8	-167.6	63.3	0	0	0	111.2	L668 V695 F699 V755 G759 R760 I762	L668-L757 HydrophobicContact CD2-CD2 3.89Å; L668-L757 HydrophobicContact CG-CD2 4.19Å; V695-L757 HydrophobicContact CG1-CD2 3.65Å; V695-L757 HydrophobicContact CG1-CG 4.1Å; F699-L757 HydrophobicContact CD2-CD2 4.07Å; V755-L757 PolarHBondContact O-N 3.36Å; L757-G759 PolarHBondContact O-N 3.27Å; L757-G759 VanDerWaalsContact O-N 3.17Å; L757-R760 PolarHBondContact N-O 3.46Å; L757-R760 WeakPolarHBondContact O-CB 3.45Å; L757-R760 WeakPolarHBondContact O-CD 3.3Å; L757-R760 PolarHBondContact O-N 2.98Å; L757-I762 HydrophobicContact CB-CD1 4.03Å; L757-I762 HydrophobicContact CD2-CD1 4.37Å
758	L	90.8	Very high	91.9	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	36.3	-174.5	-55.3	-175.2	0	0	0	113.5	N672 A675 I691 E692 V695 R760	N672-L758 WeakPolarHBondContact OD1-CA 3.41Å; N672-L758 PolarHBondContact OD1-N 3.32Å; A675-L758 HydrophobicContact CB-CD2 3.46Å; A675-L758 VanDerWaalsContact CB-CD2 3.46Å; I691-L758 HydrophobicContact CG2-CD2 4.2Å; E692-L758 HydrophobicContact CB-CD1 4.16Å; E692-L758 HydrophobicContact CG-CD1 4.29Å; V695-L758 HydrophobicContact CB-CD1 3.76Å; V695-L758 HydrophobicContact CG1-CD1 3.86Å; V695-L758 HydrophobicContact CG1-CG 4.35Å; V695-L758 HydrophobicContact CG2-CD1 3.83Å; V695-L758 HydrophobicContact CG2-CG 4.32Å; L758-R760 VanDerWaalsContact C-N 3.3Å; L758-R760 VanDerWaalsContact O-CD 3.24Å; L758-R760 WeakPolarHBondContact O-CD 3.44Å; L758-R760 PolarHBondContact O-N 2.73Å; L758-R760 PolarHBondContact O-NH1 3.46Å
759	G	86.4	Confident	92.2	Very high	77 Å²	77	45.2 Å²	45.2	79%	0.794	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	1.9	-177	0	0	0	0	0	115.3	L757	L757-G759 PolarHBondContact O-N 3.27Å; L757-G759 VanDerWaalsContact O-N 3.17Å
760	R	88.5	Confident	92.4	Very high	112 Å²	112	49.8 Å²	49.8	42%	0.423	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	149.3	172.7	-67.2	72	169.1	-178.4	-3.4	109.6	Y688 E692 Q756 L757 L758 I762	Y688-R760 PolarHBondContact OH-NH1 2.89Å; E692-R760 IonicContact OE1-CZ 3.39Å; E692-R760 IonicContact OE1-NH1 3.46Å; E692-R760 PolarHBondContact OE1-NH1 3.02Å; E692-R760 IonicContact OE1-NH2 2.68Å; E692-R760 PolarHBondContact OE1-NH2 3Å; Q756-R760 WeakPolarHBondContact CA-O 3.39Å; L757-R760 PolarHBondContact N-O 3.46Å; L757-R760 WeakPolarHBondContact O-CB 3.45Å; L757-R760 WeakPolarHBondContact O-CD 3.3Å; L757-R760 PolarHBondContact O-N 2.98Å; L758-R760 VanDerWaalsContact C-N 3.3Å; L758-R760 VanDerWaalsContact O-CD 3.24Å; L758-R760 WeakPolarHBondContact O-CD 3.44Å; L758-R760 PolarHBondContact O-N 2.73Å; L758-R760 PolarHBondContact O-NH1 3.46Å; R760-I762 HydrophobicContact CB-CG1 4.12Å
761	S	91	Very high	92.5	Very high	73 Å²	73	53.6 Å²	53.6	51%	0.51	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.8	165.8	-174.5	0	0	0	0	108.9	H754 Q756	H754-S761 WeakPolarHBondContact CA-OG 3.15Å; H754-S761 WeakPolarHBondContact CB-OG 3.07Å; Q756-S761 PolarHBondContact NE2-OG 2.62Å
762	I	90.6	Very high	92.7	Very high	32 Å²	32	49.2 Å²	49.2	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.9	-171.9	-54	171.4	0	0	0	110.5	F699 H754 V755 L757 R760 L764 L767	F699-I762 HydrophobicContact CE1-CD1 4.02Å; F699-I762 HydrophobicContact CE1-CG2 3.78Å; F699-I762 HydrophobicContact CE2-CD1 4.29Å; F699-I762 HydrophobicContact CZ-CB 4.41Å; F699-I762 HydrophobicContact CZ-CD1 3.91Å; F699-I762 HydrophobicContact CZ-CG2 3.62Å; H754-I762 CarbonylContact C-O 3.59Å; V755-I762 HydrophobicContact CB-CB 4.31Å; V755-I762 PolarHBondContact N-O 3.44Å; V755-I762 PolarHBondContact O-N 3.13Å; L757-I762 HydrophobicContact CB-CD1 4.03Å; L757-I762 HydrophobicContact CD2-CD1 4.37Å; R760-I762 HydrophobicContact CB-CG1 4.12Å; I762-L764 PolarHBondContact O-N 3.07Å; I762-L764 VanDerWaalsContact O-N 3.1Å; I762-L767 HydrophobicContact CG2-CD1 3.58Å
763	D	94	Very high	93	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	25%	0.251	C	S	.	.			trans	-80.2	89.5	172.1	-168.7	-21	0	0	0	110.4	R753 N765 R766 L767	R753-D763 IonicContact CZ-OD2 2.99Å; R753-D763 IonicContact NE-OD1 3.19Å; R753-D763 PolarHBondContact NE-OD1 3.42Å; R753-D763 IonicContact NE-OD2 3.46Å; R753-D763 PolarHBondContact NE-OD2 3.47Å; R753-D763 IonicContact NH2-OD2 3.67Å; R753-D763 PolarHBondContact NH2-OD2 3.08Å; R753-D763 VanDerWaalsContact O-CA 3.22Å; R753-D763 WeakPolarHBondContact O-CA 3.46Å; R753-D763 WeakPolarHBondContact O-CB 3.34Å; D763-N765 VanDerWaalsContact C-N 3.34Å; D763-N765 WeakPolarHBondContact OD1-CB 3.34Å; D763-N765 PolarHBondContact OD1-N 2.81Å; D763-R766 HydrophobicContact CB-CB 3.86Å; D763-R766 VanDerWaalsContact CG-CB 3.45Å; D763-R766 PolarHBondContact O-N 3.2Å; D763-R766 PolarHBondContact OD1-N 3.05Å; D763-L767 WeakPolarHBondContact O-CG 3.48Å; D763-L767 PolarHBondContact O-N 3.41Å; D763-L767 VanDerWaalsContact O-N 3.14Å
764	L	94.6	Very high	93.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-38.3	179.4	-177.9	61.2	0	0	0	111.7	F699 F702 V703 L706 Q752 V755 I762 R766 L767 I768	F699-L764 HydrophobicContact CZ-CD1 4.44Å; F702-L764 HydrophobicContact CD1-CD1 4.45Å; F702-L764 HydrophobicContact CE1-CD1 3.9Å; F702-L764 HydrophobicContact CE1-CD2 4.04Å; V703-L764 HydrophobicContact CG2-CD1 4.07Å; L706-L764 HydrophobicContact CD2-CD2 4.27Å; Q752-L764 HydrophobicContact CB-CB 4.21Å; Q752-L764 HydrophobicContact CB-CD2 4.38Å; Q752-L764 PolarHBondContact O-N 3.28Å; V755-L764 HydrophobicContact CG2-CB 3.94Å; V755-L764 HydrophobicContact CG2-CD2 4.45Å; I762-L764 PolarHBondContact O-N 3.07Å; I762-L764 VanDerWaalsContact O-N 3.1Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.37Å; L764-L767 PolarHBondContact O-N 3.32Å; L764-I768 HydrophobicContact CD1-CD1 4.08Å; L764-I768 HydrophobicContact CD1-CG1 4.17Å; L764-I768 HydrophobicContact CD2-CD1 4.37Å; L764-I768 HydrophobicContact CG-CD1 3.79Å; L764-I768 HydrophobicContact CG-CG1 4.32Å; L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.28Å
765	N	96.3	Very high	93.9	Very high	14 Å²	14	44.3 Å²	44.3	8%	0.075	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-47.7	174.5	176	-80	0	0	0	111.3	L750 Q752 D763 L767 I768 T769 F815 L816	L750-N765 WeakPolarHBondContact O-CB 3.38Å; L750-N765 PolarHBondContact O-ND2 3.23Å; Q752-N765 PolarHBondContact O-N 3.02Å; D763-N765 VanDerWaalsContact C-N 3.34Å; D763-N765 WeakPolarHBondContact OD1-CB 3.34Å; D763-N765 PolarHBondContact OD1-N 2.81Å; N765-L767 VanDerWaalsContact C-N 3.35Å; N765-L767 PolarHBondContact O-N 2.86Å; N765-I768 PolarHBondContact O-N 3.22Å; N765-T769 WeakPolarHBondContact O-CB 3.37Å; N765-T769 PolarHBondContact O-N 3.41Å; N765-T769 PolarHBondContact O-OG1 3.48Å; N765-F815 PolarHBondContact ND2-O 2.76Å; N765-L816 WeakPolarHBondContact ND2-CD2 3.39Å
766	R	96	Very high	94.2	Very high	158 Å²	158	44 Å²	44	60%	0.596	24%	0.239	S	C	*	.	H	α-helix	trans	-59.4	-46.8	177	176	-178.6	172.3	130.9	-0.9	111.4	D763 L764 T769 Q770	D763-R766 HydrophobicContact CB-CB 3.86Å; D763-R766 VanDerWaalsContact CG-CB 3.45Å; D763-R766 PolarHBondContact O-N 3.2Å; D763-R766 PolarHBondContact OD1-N 3.05Å; L764-R766 VanDerWaalsContact C-N 3.34Å; L764-R766 PolarHBondContact O-N 3.37Å; R766-T769 PolarHBondContact O-N 2.9Å; R766-Q770 WeakPolarHBondContact O-CG 3.35Å; R766-Q770 PolarHBondContact O-N 3.39Å; R766-Q770 VanDerWaalsContact O-N 3.1Å
767	L	96.9	Very high	94.7	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.199	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-43.8	-179.9	-71.8	176.7	0	0	0	111.6	F699 V703 I762 D763 L764 N765 R771	F699-L767 HydrophobicContact CE1-CD1 3.68Å; F699-L767 HydrophobicContact CZ-CD1 4.14Å; V703-L767 HydrophobicContact CG1-CB 4Å; V703-L767 HydrophobicContact CG2-CD1 4.18Å; I762-L767 HydrophobicContact CG2-CD1 3.58Å; D763-L767 WeakPolarHBondContact O-CG 3.48Å; D763-L767 PolarHBondContact O-N 3.41Å; D763-L767 VanDerWaalsContact O-N 3.14Å; L764-L767 PolarHBondContact O-N 3.32Å; N765-L767 VanDerWaalsContact C-N 3.35Å; N765-L767 PolarHBondContact O-N 2.86Å; L767-R771 VanDerWaalsContact C-NH1 3.33Å; L767-R771 VanDerWaalsContact CA-NH1 3.29Å; L767-R771 VanDerWaalsContact CB-NH1 3.26Å; L767-R771 VanDerWaalsContact CD2-NH1 3.28Å; L767-R771 WeakPolarHBondContact O-CD 3.42Å; L767-R771 PolarHBondContact O-NH1 2.8Å
768	I	97.4	Very high	94.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-45.4	175.8	-66.1	168	0	0	0	110.5	L706 A707 I710 L750 L764 N765 Q770 R771 V772 L816	L706-I768 HydrophobicContact CD2-CD1 3.85Å; L706-I768 HydrophobicContact CG-CD1 4.3Å; A707-I768 HydrophobicContact CB-CG2 4.37Å; I710-I768 HydrophobicContact CD1-CD1 4.11Å; I710-I768 HydrophobicContact CD1-CG2 4.27Å; L750-I768 HydrophobicContact CD2-CB 4.5Å; L750-I768 HydrophobicContact CD2-CD1 4.05Å; L750-I768 HydrophobicContact CD2-CG2 3.81Å; L764-I768 HydrophobicContact CD1-CD1 4.08Å; L764-I768 HydrophobicContact CD1-CG1 4.17Å; L764-I768 HydrophobicContact CD2-CD1 4.37Å; L764-I768 HydrophobicContact CG-CD1 3.79Å; L764-I768 HydrophobicContact CG-CG1 4.32Å; L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.28Å; N765-I768 PolarHBondContact O-N 3.22Å; I768-Q770 VanDerWaalsContact C-N 3.28Å; I768-Q770 PolarHBondContact O-N 3.1Å; I768-R771 PolarHBondContact O-N 3.41Å; I768-R771 VanDerWaalsContact O-N 3.1Å; I768-V772 HydrophobicContact CG2-CG2 3.75Å; I768-V772 WeakPolarHBondContact O-CB 3.37Å; I768-V772 WeakPolarHBondContact O-CG2 3.48Å; I768-V772 PolarHBondContact O-N 3.41Å; I768-L816 HydrophobicContact CG2-CD1 4.3Å
769	T	97.8	Very high	95.2	Very high	19 Å²	19	46.4 Å²	46.4	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-54.8	-43.1	-179.9	-61	0	0	0	0	111.9	N765 R766 R771 V772 S773 L816 T817 L818	N765-T769 WeakPolarHBondContact O-CB 3.37Å; N765-T769 PolarHBondContact O-N 3.41Å; N765-T769 PolarHBondContact O-OG1 3.48Å; R766-T769 PolarHBondContact O-N 2.9Å; T769-R771 PolarHBondContact O-N 3.02Å; T769-V772 PolarHBondContact O-N 3.41Å; T769-S773 VanDerWaalsContact O-CB 3.26Å; T769-S773 WeakPolarHBondContact O-CB 3.45Å; T769-S773 PolarHBondContact O-N 2.95Å; T769-L816 WeakPolarHBondContact OG1-CD2 3.3Å; T769-T817 VanDerWaalsContact CG2-O 3.23Å; T769-T817 WeakPolarHBondContact CG2-O 3.5Å; T769-L818 HydrophobicContact CG2-CD2 4.03Å
770	Q	96.6	Very high	95.8	Very high	96 Å²	96	42.8 Å²	42.8	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-58.3	-46.5	177.4	-71.5	171.4	-16.3	0	0	112.5	R766 I768 A774	R766-Q770 WeakPolarHBondContact O-CG 3.35Å; R766-Q770 PolarHBondContact O-N 3.39Å; R766-Q770 VanDerWaalsContact O-N 3.1Å; I768-Q770 VanDerWaalsContact C-N 3.28Å; I768-Q770 PolarHBondContact O-N 3.1Å; Q770-A774 PolarHBondContact O-N 2.86Å
771	R	96.9	Very high	96.1	Very high	81 Å²	81	40.1 Å²	40.1	31%	0.306	20%	0.203	S	C	.	.	H	α-helix	trans	-72.6	-40.3	-179.2	-75.1	81.9	173.7	-177.1	-4.3	111.5	A707 L767 I768 T769 A774 A775	A707-R771 HydrophobicContact CB-CB 3.6Å; A707-R771 HydrophobicContact CB-CG 4.23Å; L767-R771 VanDerWaalsContact C-NH1 3.33Å; L767-R771 VanDerWaalsContact CA-NH1 3.29Å; L767-R771 VanDerWaalsContact CB-NH1 3.26Å; L767-R771 VanDerWaalsContact CD2-NH1 3.28Å; L767-R771 WeakPolarHBondContact O-CD 3.42Å; L767-R771 PolarHBondContact O-NH1 2.8Å; I768-R771 PolarHBondContact O-N 3.41Å; I768-R771 VanDerWaalsContact O-N 3.1Å; T769-R771 PolarHBondContact O-N 3.02Å; R771-A774 PolarHBondContact O-N 2.93Å; R771-A775 WeakPolarHBondContact O-CB 3.29Å; R771-A775 PolarHBondContact O-N 3.15Å
772	V	97.8	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-41.6	177.9	169.2	0	0	0	0	111.3	F711 I768 T769 A775 L776 L812 L816 L818	F711-V772 HydrophobicContact CD2-CG1 4.27Å; I768-V772 HydrophobicContact CG2-CG2 3.75Å; I768-V772 WeakPolarHBondContact O-CB 3.37Å; I768-V772 WeakPolarHBondContact O-CG2 3.48Å; I768-V772 PolarHBondContact O-N 3.41Å; T769-V772 PolarHBondContact O-N 3.41Å; V772-A775 PolarHBondContact O-N 2.95Å; V772-L776 PolarHBondContact O-N 3.41Å; V772-L812 HydrophobicContact CG1-CD1 3.6Å; V772-L812 HydrophobicContact CG1-CD2 4.03Å; V772-L812 HydrophobicContact CG1-CG 4.29Å; V772-L816 HydrophobicContact CB-CD1 4.01Å; V772-L816 HydrophobicContact CG1-CD1 3.86Å; V772-L816 HydrophobicContact CG2-CD1 4.04Å; V772-L818 HydrophobicContact CG1-CD2 4.28Å
773	S	97.3	Very high	96.6	Very high	21 Å²	21	36.3 Å²	36.3	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-48.4	175.2	-175.3	0	0	0	0	111	T769 A775 L776 H777 M824	T769-S773 VanDerWaalsContact O-CB 3.26Å; T769-S773 WeakPolarHBondContact O-CB 3.45Å; T769-S773 PolarHBondContact O-N 2.95Å; S773-A775 VanDerWaalsContact C-N 3.33Å; S773-A775 PolarHBondContact O-N 3.16Å; S773-L776 PolarHBondContact O-N 2.99Å; S773-L776 VanDerWaalsContact O-N 3.17Å; S773-H777 PolarHBondContact O-CD2 3.02Å; S773-H777 PolarHBondContact O-N 2.88Å; S773-M824 WeakPolarHBondContact O-CE 3.5Å; S773-M824 WeakPolarHBondContact OG-CE 3.09Å
774	A	97.1	Very high	96.7	Very high	59 Å²	59	34.3 Å²	34.3	49%	0.488	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-39.8	175.7	0	0	0	0	0	112.8	Q770 R771 L776 H777 K778	Q770-A774 PolarHBondContact O-N 2.86Å; R771-A774 PolarHBondContact O-N 2.93Å; A774-L776 VanDerWaalsContact C-N 3.34Å; A774-L776 PolarHBondContact O-N 2.85Å; A774-H777 PolarHBondContact O-N 2.83Å; A774-K778 WeakPolarHBondContact O-CB 3.15Å; A774-K778 PolarHBondContact O-N 3.37Å
775	A	97.3	Very high	96.7	Very high	12 Å²	12	36.6 Å²	36.6	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-34.8	177.3	0	0	0	0	0	112.8	F711 R771 V772 S773 S779 Y887	F711-A775 HydrophobicContact CB-CB 4.44Å; F711-A775 HydrophobicContact CD1-CB 3.74Å; F711-A775 HydrophobicContact CD2-CB 3.9Å; F711-A775 HydrophobicContact CE1-CB 3.9Å; F711-A775 HydrophobicContact CE2-CB 4.06Å; F711-A775 HydrophobicContact CG-CB 3.74Å; F711-A775 HydrophobicContact CZ-CB 4.07Å; R771-A775 WeakPolarHBondContact O-CB 3.29Å; R771-A775 PolarHBondContact O-N 3.15Å; V772-A775 PolarHBondContact O-N 2.95Å; S773-A775 VanDerWaalsContact C-N 3.33Å; S773-A775 PolarHBondContact O-N 3.16Å; A775-S779 PolarHBondContact O-N 3.03Å; A775-S779 PolarHBondContact O-OG 3.15Å; A775-Y887 HydrophobicContact CB-CE1 4.13Å
776	L	97.2	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.3	-44.1	175.6	-174.2	61.4	0	0	0	111.5	F711 V772 S773 A774 K778 S779 L780 N805 H809 L818 M824	F711-L776 HydrophobicContact CE2-CB 4.18Å; F711-L776 HydrophobicContact CE2-CD1 4.4Å; V772-L776 PolarHBondContact O-N 3.41Å; S773-L776 PolarHBondContact O-N 2.99Å; S773-L776 VanDerWaalsContact O-N 3.17Å; A774-L776 VanDerWaalsContact C-N 3.34Å; A774-L776 PolarHBondContact O-N 2.85Å; L776-K778 VanDerWaalsContact C-N 3.32Å; L776-K778 PolarHBondContact O-N 2.99Å; L776-S779 WeakPolarHBondContact O-CB 3.35Å; L776-S779 PolarHBondContact O-N 3.42Å; L776-S779 VanDerWaalsContact O-N 3.11Å; L776-L780 WeakPolarHBondContact O-CG 3.41Å; L776-L780 PolarHBondContact O-N 3.03Å; L776-N805 HydrophobicContact CD1-CB 4.46Å; L776-H809 HydrophobicContact CD2-CB 3.83Å; L776-L818 HydrophobicContact CD2-CD1 4.34Å; L776-M824 HydrophobicContact CB-CE 3.93Å; L776-M824 HydrophobicContact CD2-CE 3.84Å; L776-M824 HydrophobicContact CD2-SD 3.6Å; L776-M824 VanDerWaalsContact CD2-SD 3.6Å; L776-M824 HydrophobicContact CG-CE 4.02Å; L776-M824 HydrophobicContact CG-SD 4.26Å
777	H	96.4	Very high	96.6	Very high	39 Å²	39	31.7 Å²	31.7	18%	0.181	16%	0.159	C	C	.	.	H	α-helix	trans	-55	-48.7	170.4	-90.2	-79.3	0	0	0	111.4	S773 A774 S779 L780 E781 M824 E827	S773-H777 PolarHBondContact O-CD2 3.02Å; S773-H777 PolarHBondContact O-N 2.88Å; A774-H777 PolarHBondContact O-N 2.83Å; H777-S779 VanDerWaalsContact C-N 3.26Å; H777-S779 PolarHBondContact O-N 2.87Å; H777-L780 PolarHBondContact O-N 3.31Å; H777-L780 VanDerWaalsContact O-N 3.16Å; H777-E781 WeakPolarHBondContact O-CB 3.4Å; H777-E781 PolarHBondContact O-N 3.4Å; H777-M824 WeakPolarHBondContact CD2-CE 3.47Å; H777-M824 VanDerWaalsContact NE2-CE 3.34Å; H777-M824 WeakPolarHBondContact NE2-CE 3.48Å; H777-E827 IonicContact CE1-OE2 3.89Å; H777-E827 PolarHBondContact CE1-OE2 3.1Å; H777-E827 IonicContact NE2-OE2 2.76Å
778	K	96.6	Very high	96.5	Very high	103 Å²	103	32.8 Å²	32.8	45%	0.448	16%	0.163	S	C	.	.	H	α-helix	trans	-59.9	-35.7	177	-176	171.7	174.1	-174.2	0	112.7	A774 L776 L782 Y887	A774-K778 WeakPolarHBondContact O-CB 3.15Å; A774-K778 PolarHBondContact O-N 3.37Å; L776-K778 VanDerWaalsContact C-N 3.32Å; L776-K778 PolarHBondContact O-N 2.99Å; K778-L782 HydrophobicContact CG-CD1 4Å; K778-L782 WeakPolarHBondContact O-CB 3.24Å; K778-L782 WeakPolarHBondContact O-CD1 3.46Å; K778-L782 VanDerWaalsContact O-CG 3.29Å; K778-L782 WeakPolarHBondContact O-CG 3.38Å; K778-L782 PolarHBondContact O-N 2.95Å; K778-Y887 HydrophobicContact CB-CD1 4.26Å; K778-Y887 HydrophobicContact CB-CE1 4.21Å; K778-Y887 HydrophobicContact CD-CD1 4.08Å; K778-Y887 HydrophobicContact CD-CE1 3.63Å; K778-Y887 HydrophobicContact CD-CE2 4.27Å; K778-Y887 HydrophobicContact CG-CD1 4Å; K778-Y887 HydrophobicContact CG-CE1 4.02Å
779	S	97.2	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-38.5	176.3	-60.3	0	0	0	0	112.8	F711 K715 A775 L776 H777 A783 N805 Y887	F711-S779 WeakPolarHBondContact CZ-OG 3.25Å; K715-S779 PolarHBondContact NZ-OG 3.08Å; A775-S779 PolarHBondContact O-N 3.03Å; A775-S779 PolarHBondContact O-OG 3.15Å; L776-S779 WeakPolarHBondContact O-CB 3.35Å; L776-S779 PolarHBondContact O-N 3.42Å; L776-S779 VanDerWaalsContact O-N 3.11Å; H777-S779 VanDerWaalsContact C-N 3.26Å; H777-S779 PolarHBondContact O-N 2.87Å; S779-A783 PolarHBondContact O-N 3.28Å; S779-A783 VanDerWaalsContact O-N 3.09Å; S779-N805 WeakPolarHBondContact CB-OD1 3.46Å; S779-Y887 WeakPolarHBondContact CB-O 3.43Å; S779-Y887 PolarHBondContact OG-O 3.06Å
780	L	97.4	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.3	-45.4	175.4	-67.9	170.3	0	0	0	110.9	L776 H777 L782 A783 I784 L802 N805 F821 M824 A828	L776-L780 WeakPolarHBondContact O-CG 3.41Å; L776-L780 PolarHBondContact O-N 3.03Å; H777-L780 PolarHBondContact O-N 3.31Å; H777-L780 VanDerWaalsContact O-N 3.16Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L780-L782 PolarHBondContact O-N 3.1Å; L780-A783 WeakPolarHBondContact O-CB 3.48Å; L780-A783 PolarHBondContact O-N 3.19Å; L780-A783 VanDerWaalsContact O-N 3.15Å; L780-I784 WeakPolarHBondContact O-CG1 3.28Å; L780-I784 PolarHBondContact O-N 3.09Å; L780-I784 VanDerWaalsContact O-N 3.08Å; L780-L802 HydrophobicContact CD2-CD2 3.84Å; L780-N805 HydrophobicContact CD2-CB 3.86Å; L780-F821 HydrophobicContact CD2-CE2 3.95Å; L780-F821 HydrophobicContact CD2-CZ 4.03Å; L780-M824 HydrophobicContact CD1-CB 3.8Å; L780-A828 HydrophobicContact CB-CB 3.8Å
781	E	96.1	Very high	96	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-56.8	-46.5	175.4	-176.9	55	-139.8	0	0	111.6	H777 A783 I784 N785 R838	H777-E781 WeakPolarHBondContact O-CB 3.4Å; H777-E781 PolarHBondContact O-N 3.4Å; E781-A783 VanDerWaalsContact C-N 3.34Å; E781-A783 PolarHBondContact O-N 2.88Å; E781-I784 PolarHBondContact O-N 3.24Å; E781-N785 WeakPolarHBondContact CG-ND2 3.26Å; E781-N785 WeakPolarHBondContact O-CB 3.42Å; E781-N785 PolarHBondContact O-N 3.01Å; E781-N785 PolarHBondContact O-ND2 3.33Å; E781-N785 PolarHBondContact OE1-ND2 2.96Å; E781-N785 PolarHBondContact OE1-OD1 2.99Å; E781-R838 IonicContact OE1-CZ 2.7Å; E781-R838 IonicContact OE1-NH1 3.32Å; E781-R838 PolarHBondContact OE1-NH1 3.29Å; E781-R838 IonicContact OE1-NH2 2.81Å; E781-R838 PolarHBondContact OE1-NH2 3.07Å; E781-R838 VanDerWaalsContact OE1-NH2 3.13Å; E781-R838 IonicContact OE2-NH1 2.71Å; E781-R838 PolarHBondContact OE2-NH1 2.71Å
782	L	95.6	Very high	95.9	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.115	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-34.7	177.1	-80.1	164.6	0	0	0	113.1	K778 L780 R786 P881 A883 Y887	K778-L782 HydrophobicContact CG-CD1 4Å; K778-L782 WeakPolarHBondContact O-CB 3.24Å; K778-L782 WeakPolarHBondContact O-CD1 3.46Å; K778-L782 VanDerWaalsContact O-CG 3.29Å; K778-L782 WeakPolarHBondContact O-CG 3.38Å; K778-L782 PolarHBondContact O-N 2.95Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L780-L782 PolarHBondContact O-N 3.1Å; L782-R786 VanDerWaalsContact O-CB 3.27Å; L782-R786 WeakPolarHBondContact O-CB 3.5Å; L782-R786 PolarHBondContact O-N 3.01Å; L782-R786 VanDerWaalsContact O-N 3.08Å; L782-P881 HydrophobicContact CD2-CB 4.46Å; L782-P881 HydrophobicContact CD2-CG 3.81Å; L782-A883 HydrophobicContact CD1-CB 3.66Å; L782-A883 HydrophobicContact CD2-CB 3.9Å; L782-A883 HydrophobicContact CG-CB 4.41Å; L782-Y887 VanDerWaalsContact CD1-CB 3.47Å; L782-Y887 HydrophobicContact CD1-CD2 4.36Å; L782-Y887 HydrophobicContact CD1-CG 3.91Å
783	A	96.4	Very high	95.8	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-44.3	175.8	0	0	0	0	0	111.3	S779 L780 E781 F787 L798 L801 L802	S779-A783 PolarHBondContact O-N 3.28Å; S779-A783 VanDerWaalsContact O-N 3.09Å; L780-A783 WeakPolarHBondContact O-CB 3.48Å; L780-A783 PolarHBondContact O-N 3.19Å; L780-A783 VanDerWaalsContact O-N 3.15Å; E781-A783 VanDerWaalsContact C-N 3.34Å; E781-A783 PolarHBondContact O-N 2.88Å; A783-F787 PolarHBondContact O-N 3.23Å; A783-L798 HydrophobicContact CB-CD1 4.07Å; A783-L798 WeakPolarHBondContact O-CD1 3.35Å; A783-L801 HydrophobicContact CB-CD2 3.54Å; A783-L801 HydrophobicContact CB-CG 3.9Å; A783-L802 HydrophobicContact CB-CD2 4.44Å
784	I	96.4	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.4	-46.1	-179.9	-61.1	173.4	0	0	0	111.2	L780 E781 R786 F787 E788 F825 A828 N829 R838 I839	L780-I784 WeakPolarHBondContact O-CG1 3.28Å; L780-I784 PolarHBondContact O-N 3.09Å; L780-I784 VanDerWaalsContact O-N 3.08Å; E781-I784 PolarHBondContact O-N 3.24Å; I784-R786 PolarHBondContact O-N 3.24Å; I784-F787 WeakPolarHBondContact O-CA 3.42Å; I784-F787 WeakPolarHBondContact O-CB 3.5Å; I784-F787 PolarHBondContact O-N 2.71Å; I784-E788 PolarHBondContact O-N 2.92Å; I784-F825 HydrophobicContact CD1-CE2 4.44Å; I784-A828 HydrophobicContact CD1-CB 4.12Å; I784-N829 HydrophobicContact CD1-CB 3.83Å; I784-R838 HydrophobicContact CG2-CB 3.91Å; I784-I839 HydrophobicContact CD1-CD1 4.4Å; I784-I839 HydrophobicContact CG1-CD1 4.27Å; I784-I839 HydrophobicContact CG1-CG1 4.35Å; I784-I839 HydrophobicContact CG2-CG1 4.29Å
785	N	95	Very high	95.7	Very high	48 Å²	48	23.1 Å²	23.1	26%	0.257	11%	0.111	S	C	.	.	H	α-helix	trans	-57.1	-37.4	175.7	-77.6	-54	0	0	0	112.4	E781 E788 S789 R838 P881	E781-N785 WeakPolarHBondContact CG-ND2 3.26Å; E781-N785 WeakPolarHBondContact O-CB 3.42Å; E781-N785 PolarHBondContact O-N 3.01Å; E781-N785 PolarHBondContact O-ND2 3.33Å; E781-N785 PolarHBondContact OE1-ND2 2.96Å; E781-N785 PolarHBondContact OE1-OD1 2.99Å; N785-E788 PolarHBondContact O-N 3.43Å; N785-E788 PolarHBondContact OD1-OE2 3.3Å; N785-S789 PolarHBondContact O-N 3.33Å; N785-S789 VanDerWaalsContact O-N 3.13Å; N785-S789 PolarHBondContact O-OG 3.23Å; N785-R838 PolarHBondContact OD1-NH2 3.33Å; N785-P881 HydrophobicContact CB-CG 4.37Å
786	R	93.9	Very high	95.7	Very high	63 Å²	63	23.8 Å²	23.8	24%	0.238	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-40.5	176.5	-174.1	-179.5	176.8	97.3	-1.5	111.2	L782 I784 S789 E790 E797 P880	L782-R786 VanDerWaalsContact O-CB 3.27Å; L782-R786 WeakPolarHBondContact O-CB 3.5Å; L782-R786 PolarHBondContact O-N 3.01Å; L782-R786 VanDerWaalsContact O-N 3.08Å; I784-R786 PolarHBondContact O-N 3.24Å; R786-S789 PolarHBondContact O-N 2.91Å; R786-S789 PolarHBondContact O-OG 2.93Å; R786-E790 IonicContact NE-OE1 3.87Å; R786-E790 WeakPolarHBondContact O-CG 3.39Å; R786-E797 IonicContact CZ-OE1 2.98Å; R786-E797 VanDerWaalsContact CZ-OE1 3.28Å; R786-E797 IonicContact NE-OE1 2.7Å; R786-E797 PolarHBondContact NE-OE1 3.02Å; R786-E797 IonicContact NH2-OE1 2.71Å; R786-E797 PolarHBondContact NH2-OE1 3.33Å; R786-P880 HydrophobicContact CG-CB 4.46Å
787	F	96.1	Very high	95.6	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-43.7	173.8	177.8	-120.1	0	0	0	111.9	A783 I784 S789 E790 S794 I795 L798 I839 H842 V843	A783-F787 PolarHBondContact O-N 3.23Å; I784-F787 WeakPolarHBondContact O-CA 3.42Å; I784-F787 WeakPolarHBondContact O-CB 3.5Å; I784-F787 PolarHBondContact O-N 2.71Å; F787-S789 PolarHBondContact O-N 3.41Å; F787-E790 PolarHBondContact O-N 3.39Å; F787-S794 VanDerWaalsContact CD2-OG 3.24Å; F787-S794 WeakPolarHBondContact CD2-OG 3.39Å; F787-I795 HydrophobicContact CD2-CB 4.4Å; F787-I795 HydrophobicContact CE2-CB 3.65Å; F787-I795 HydrophobicContact CE2-CG1 3.91Å; F787-I795 HydrophobicContact CZ-CB 4.1Å; F787-I795 HydrophobicContact CZ-CD1 4.17Å; F787-I795 HydrophobicContact CZ-CG1 3.93Å; F787-L798 HydrophobicContact CB-CB 4.32Å; F787-L798 HydrophobicContact CB-CD1 4.25Å; F787-L798 HydrophobicContact CB-CD2 3.92Å; F787-L798 HydrophobicContact CB-CG 4.39Å; F787-L798 HydrophobicContact CD1-CD2 3.77Å; F787-L798 HydrophobicContact CD2-CB 4.45Å; F787-L798 HydrophobicContact CD2-CD2 4.24Å; F787-L798 HydrophobicContact CE1-CD2 4.35Å; F787-L798 HydrophobicContact CG-CB 4.46Å; F787-L798 HydrophobicContact CG-CD2 3.71Å; F787-I839 HydrophobicContact CD1-CG2 4.38Å; F787-I839 HydrophobicContact CE1-CG2 3.94Å; F787-H842 HydrophobicContact CD1-CB 4.32Å; F787-H842 AromaticContact CD1-CD2 3.66Å; F787-H842 HydrophobicContact CE1-CB 3.98Å; F787-H842 AromaticContact CE1-CD2 3.49Å; F787-H842 VanDerWaalsContact CE1-CD2 3.49Å; F787-H842 WeakPolarHBondContact CE1-CD2 3.48Å; F787-H842 AromaticContact CZ-CD2 3.75Å; F787-H842 PolarHBondContact O-CD2 2.87Å; F787-H842 PolarHBondContact O-NE2 3.48Å; F787-V843 HydrophobicContact CE1-CG2 4.09Å; F787-V843 HydrophobicContact CZ-CG2 3.85Å
788	E	95.1	Very high	95.6	Very high	61 Å²	61	22.8 Å²	22.8	29%	0.285	11%	0.108	S	C	.	.	H	α-helix	trans	-61.8	-26.2	177.6	-70.6	173.1	154.8	0	0	113.4	I784 N785 E790 R838 H842	I784-E788 PolarHBondContact O-N 2.92Å; N785-E788 PolarHBondContact O-N 3.43Å; N785-E788 PolarHBondContact OD1-OE2 3.3Å; E788-E790 VanDerWaalsContact C-N 3.31Å; E788-R838 WeakPolarHBondContact OE1-CB 3.2Å; E788-R838 IonicContact OE1-CZ 3.57Å; E788-R838 IonicContact OE1-NE 2.76Å; E788-R838 PolarHBondContact OE1-NE 2.9Å; E788-R838 IonicContact OE1-NH2 3.75Å; E788-R838 IonicContact OE2-CZ 2.82Å; E788-R838 IonicContact OE2-NE 3.36Å; E788-R838 IonicContact OE2-NH2 3.92Å; E788-R838 PolarHBondContact OE2-NH2 3.25Å; E788-H842 WeakPolarHBondContact CA-NE2 3.3Å; E788-H842 HydrophobicContact CG-CB 4.25Å; E788-H842 PolarHBondContact O-CE1 3.29Å
789	S	93.5	Very high	95.5	Very high	17 Å²	17	19.7 Å²	19.7	12%	0.119	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.9	174.7	64.1	0	0	0	0	114.7	N785 R786 F787 D878 P880	N785-S789 PolarHBondContact O-N 3.33Å; N785-S789 VanDerWaalsContact O-N 3.13Å; N785-S789 PolarHBondContact O-OG 3.23Å; R786-S789 PolarHBondContact O-N 2.91Å; R786-S789 PolarHBondContact O-OG 2.93Å; F787-S789 PolarHBondContact O-N 3.41Å; S789-D878 WeakPolarHBondContact CB-O 3.39Å; S789-P880 WeakPolarHBondContact OG-CB 3.23Å
790	E	93	Very high	95.5	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.145	10%	0.103	C	C	.	.	S	Bend	trans	-128.2	168.4	-169.7	-66.4	-167.8	-150.7	0	0	112.7	R786 F787 E788 S794 H842 R906	R786-E790 IonicContact NE-OE1 3.87Å; R786-E790 WeakPolarHBondContact O-CG 3.39Å; F787-E790 PolarHBondContact O-N 3.39Å; E788-E790 VanDerWaalsContact C-N 3.31Å; E790-S794 WeakPolarHBondContact CB-OG 3.49Å; E790-S794 WeakPolarHBondContact OE2-CB 3.49Å; E790-H842 PolarHBondContact O-NE2 2.81Å; E790-R906 IonicContact OE2-CZ 3.38Å; E790-R906 IonicContact OE2-NH1 3.75Å; E790-R906 PolarHBondContact OE2-NH1 3.5Å; E790-R906 IonicContact OE2-NH2 2.9Å; E790-R906 PolarHBondContact OE2-NH2 2.87Å
791	D	93.8	Very high	95.4	Very high	20 Å²	20	20.5 Å²	20.5	11%	0.107	10%	0.103	C	C	.	.			trans	-76	171.9	179.1	71.9	24.4	0	0	0	113	T793 S794 E846 R866 R906	D791-T793 PolarHBondContact O-N 2.68Å; D791-T793 WeakPolarHBondContact OD1-CB 3.33Å; D791-T793 PolarHBondContact OD1-N 2.6Å; D791-T793 PolarHBondContact OD1-OG1 2.79Å; D791-S794 WeakPolarHBondContact O-CB 3.41Å; D791-S794 PolarHBondContact O-N 2.91Å; D791-S794 PolarHBondContact O-OG 3.03Å; D791-E846 WeakPolarHBondContact CA-OE2 3.49Å; D791-R866 IonicContact OD2-CZ 3.69Å; D791-R866 IonicContact OD2-NH2 3.68Å; D791-R866 PolarHBondContact OD2-NH2 3.44Å; D791-R906 IonicContact OD1-CZ 3.73Å; D791-R906 IonicContact OD1-NE 2.87Å; D791-R906 IonicContact OD1-NH2 2.75Å
792	L	94.9	Very high	95.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.1	-176.4	-168.8	57.4	0	0	0	114.6	S794 I795 V843 E846 L847 F851 L909 M917	L792-S794 VanDerWaalsContact C-N 3.27Å; L792-S794 PolarHBondContact O-N 2.84Å; L792-I795 WeakPolarHBondContact O-CB 3.31Å; L792-I795 WeakPolarHBondContact O-CG2 3.38Å; L792-I795 PolarHBondContact O-N 3.46Å; L792-V843 HydrophobicContact CD1-CB 4.29Å; L792-V843 HydrophobicContact CD1-CG1 4.09Å; L792-V843 HydrophobicContact CD1-CG2 3.91Å; L792-E846 HydrophobicContact CB-CB 4.07Å; L792-L847 HydrophobicContact CD2-CD2 3.73Å; L792-L847 HydrophobicContact CD2-CG 4.16Å; L792-F851 HydrophobicContact CD2-CB 4.32Å; L792-L909 HydrophobicContact CB-CD1 4.49Å; L792-L909 HydrophobicContact CD2-CD1 3.54Å; L792-L909 HydrophobicContact CG-CD1 3.95Å; L792-M917 HydrophobicContact CD1-CE 3.46Å; L792-M917 VanDerWaalsContact CD1-CE 3.46Å; L792-M917 HydrophobicContact CD1-SD 4.16Å; L792-M917 HydrophobicContact CD2-CE 3.71Å; L792-M917 HydrophobicContact CD2-SD 4.36Å; L792-M917 HydrophobicContact CG-CE 3.37Å; L792-M917 HydrophobicContact CG-SD 4.44Å
793	T	95.4	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-72.7	-23.4	-179.9	70.1	0	0	0	0	112.5	D791 I795 R906	D791-T793 PolarHBondContact O-N 2.68Å; D791-T793 WeakPolarHBondContact OD1-CB 3.33Å; D791-T793 PolarHBondContact OD1-N 2.6Å; D791-T793 PolarHBondContact OD1-OG1 2.79Å; T793-I795 PolarHBondContact O-N 3.24Å; T793-I795 VanDerWaalsContact O-N 3.17Å; T793-R906 WeakPolarHBondContact OG1-CA 3.39Å; T793-R906 WeakPolarHBondContact OG1-CD 3.48Å; T793-R906 PolarHBondContact OG1-NE 3.33Å; T793-R906 VanDerWaalsContact OG1-NE 3.09Å
794	S	95.6	Very high	95.7	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67.1	-10.6	176.9	72.3	0	0	0	0	113.9	F787 E790 D791 L792 M796 E797 L798	F787-S794 VanDerWaalsContact CD2-OG 3.24Å; F787-S794 WeakPolarHBondContact CD2-OG 3.39Å; E790-S794 WeakPolarHBondContact CB-OG 3.49Å; E790-S794 WeakPolarHBondContact OE2-CB 3.49Å; D791-S794 WeakPolarHBondContact O-CB 3.41Å; D791-S794 PolarHBondContact O-N 2.91Å; D791-S794 PolarHBondContact O-OG 3.03Å; L792-S794 VanDerWaalsContact C-N 3.27Å; L792-S794 PolarHBondContact O-N 2.84Å; S794-M796 PolarHBondContact O-N 3.04Å; S794-M796 VanDerWaalsContact O-N 3.1Å; S794-E797 WeakPolarHBondContact O-CA 3.32Å; S794-E797 WeakPolarHBondContact O-CB 3.32Å; S794-E797 PolarHBondContact O-N 3.45Å; S794-L798 PolarHBondContact O-N 3.44Å; S794-L798 VanDerWaalsContact O-N 3.08Å
795	I	96.8	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.9	-26.6	178.6	-154.4	177.5	0	0	0	112.8	F787 L792 T793 L798 E799 V843 V916 M917 L920	F787-I795 HydrophobicContact CD2-CB 4.4Å; F787-I795 HydrophobicContact CE2-CB 3.65Å; F787-I795 HydrophobicContact CE2-CG1 3.91Å; F787-I795 HydrophobicContact CZ-CB 4.1Å; F787-I795 HydrophobicContact CZ-CD1 4.17Å; F787-I795 HydrophobicContact CZ-CG1 3.93Å; L792-I795 WeakPolarHBondContact O-CB 3.31Å; L792-I795 WeakPolarHBondContact O-CG2 3.38Å; L792-I795 PolarHBondContact O-N 3.46Å; T793-I795 PolarHBondContact O-N 3.24Å; T793-I795 VanDerWaalsContact O-N 3.17Å; I795-L798 HydrophobicContact CG1-CD2 4.43Å; I795-L798 PolarHBondContact O-N 3.1Å; I795-E799 PolarHBondContact O-N 3.24Å; I795-V843 HydrophobicContact CD1-CG2 3.95Å; I795-V916 HydrophobicContact CD1-CG1 4.07Å; I795-V916 HydrophobicContact CG1-CG1 3.84Å; I795-V916 HydrophobicContact CG2-CB 4.46Å; I795-V916 HydrophobicContact CG2-CG1 4.23Å; I795-M917 HydrophobicContact CD1-CB 4.38Å; I795-M917 HydrophobicContact CD1-CG 3.49Å; I795-M917 VanDerWaalsContact CD1-CG 3.49Å; I795-M917 HydrophobicContact CG2-CE 4.09Å; I795-L920 HydrophobicContact CD1-CD1 4.13Å; I795-L920 HydrophobicContact CG1-CD1 4.01Å
796	M	96.5	Very high	95.9	Very high	25 Å²	25	23.7 Å²	23.7	12%	0.123	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-38.4	173.7	-66.7	-60.1	-52.8	0	0	112.1	S794 G800 F902 Y905 P912 H913 V916	S794-M796 PolarHBondContact O-N 3.04Å; S794-M796 VanDerWaalsContact O-N 3.1Å; M796-G800 PolarHBondContact O-N 3.04Å; M796-F902 HydrophobicContact CB-CD1 4.36Å; M796-F902 WeakPolarHBondContact O-CE1 3.45Å; M796-Y905 HydrophobicContact CB-CG 4.24Å; M796-Y905 HydrophobicContact CE-CD1 4.25Å; M796-Y905 HydrophobicContact CE-CE1 4.07Å; M796-Y905 HydrophobicContact CG-CD1 3.99Å; M796-Y905 HydrophobicContact CG-CG 4.02Å; M796-P912 HydrophobicContact CE-CB 4.22Å; M796-P912 HydrophobicContact SD-CB 4.13Å; M796-H913 VanDerWaalsContact CG-CD2 3.43Å; M796-H913 WeakPolarHBondContact CG-CD2 3.46Å; M796-V916 HydrophobicContact CE-CG2 4.12Å; M796-V916 HydrophobicContact SD-CB 4.29Å; M796-V916 HydrophobicContact SD-CG2 3.53Å; M796-V916 VanDerWaalsContact SD-CG2 3.53Å
797	E	95.3	Very high	96.1	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-69.6	-40.6	175.3	-172.3	177.4	157.5	0	0	110.5	R786 S794 G800 L801 Y889 F902 R906	R786-E797 IonicContact CZ-OE1 2.98Å; R786-E797 VanDerWaalsContact CZ-OE1 3.28Å; R786-E797 IonicContact NE-OE1 2.7Å; R786-E797 PolarHBondContact NE-OE1 3.02Å; R786-E797 IonicContact NH2-OE1 2.71Å; R786-E797 PolarHBondContact NH2-OE1 3.33Å; S794-E797 WeakPolarHBondContact O-CA 3.32Å; S794-E797 WeakPolarHBondContact O-CB 3.32Å; S794-E797 PolarHBondContact O-N 3.45Å; E797-G800 PolarHBondContact O-N 3.35Å; E797-L801 WeakPolarHBondContact O-CB 3.39Å; E797-L801 PolarHBondContact O-N 3.49Å; E797-Y889 WeakPolarHBondContact CG-OH 3.32Å; E797-Y889 PolarHBondContact O-OH 3.38Å; E797-F902 HydrophobicContact CB-CB 3.99Å; E797-F902 HydrophobicContact CB-CD2 4.12Å; E797-F902 HydrophobicContact CB-CG 4.07Å; E797-F902 HydrophobicContact CG-CB 4.29Å; E797-F902 HydrophobicContact CG-CD2 3.9Å; E797-F902 HydrophobicContact CG-CG 4.31Å; E797-R906 IonicContact OE2-NH1 2.97Å
798	L	96.6	Very high	96.2	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-51.8	174.3	174.6	65.6	0	0	0	111.3	A783 F787 S794 I795 G800 L801 L802 I839 L920	A783-L798 HydrophobicContact CB-CD1 4.07Å; A783-L798 WeakPolarHBondContact O-CD1 3.35Å; F787-L798 HydrophobicContact CB-CB 4.32Å; F787-L798 HydrophobicContact CB-CD1 4.25Å; F787-L798 HydrophobicContact CB-CD2 3.92Å; F787-L798 HydrophobicContact CB-CG 4.39Å; F787-L798 HydrophobicContact CD1-CD2 3.77Å; F787-L798 HydrophobicContact CD2-CB 4.45Å; F787-L798 HydrophobicContact CD2-CD2 4.24Å; F787-L798 HydrophobicContact CE1-CD2 4.35Å; F787-L798 HydrophobicContact CG-CB 4.46Å; F787-L798 HydrophobicContact CG-CD2 3.71Å; S794-L798 PolarHBondContact O-N 3.44Å; S794-L798 VanDerWaalsContact O-N 3.08Å; I795-L798 HydrophobicContact CG1-CD2 4.43Å; I795-L798 PolarHBondContact O-N 3.1Å; L798-G800 VanDerWaalsContact C-N 3.34Å; L798-G800 PolarHBondContact O-N 2.93Å; L798-L801 PolarHBondContact O-N 3.42Å; L798-L801 VanDerWaalsContact O-N 3.17Å; L798-L802 HydrophobicContact CD1-CD1 4.08Å; L798-L802 HydrophobicContact CD1-CD2 4.47Å; L798-L802 HydrophobicContact CD1-CG 4.02Å; L798-L802 HydrophobicContact CG-CD1 3.97Å; L798-L802 HydrophobicContact CG-CG 4.3Å; L798-L802 WeakPolarHBondContact O-CG 3.39Å; L798-L802 PolarHBondContact O-N 2.89Å; L798-I839 HydrophobicContact CD2-CD1 3.93Å; L798-I839 HydrophobicContact CD2-CG1 3.99Å; L798-I839 HydrophobicContact CD2-CG2 4.18Å; L798-L920 HydrophobicContact CD2-CD1 4.11Å
799	E	96	Very high	96.4	Very high	37 Å²	37	20.6 Å²	20.6	17%	0.173	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-45.9	179.2	176.4	70	171.3	0	0	111.8	I795 L801 L802 E803 V916 R919	I795-E799 PolarHBondContact O-N 3.24Å; E799-L801 VanDerWaalsContact C-N 3.31Å; E799-L801 PolarHBondContact O-N 3.06Å; E799-L802 PolarHBondContact O-N 3Å; E799-E803 PolarHBondContact O-N 3.28Å; E799-V916 HydrophobicContact CB-CG1 3.75Å; E799-V916 HydrophobicContact CB-CG2 4.19Å; E799-V916 HydrophobicContact CG-CG1 4.22Å; E799-V916 HydrophobicContact CG-CG2 4.09Å; E799-R919 IonicContact OE1-CZ 2.77Å; E799-R919 IonicContact OE1-NH1 3.23Å; E799-R919 PolarHBondContact OE1-NH1 3.23Å; E799-R919 IonicContact OE1-NH2 2.68Å
800	G	95.8	Very high	96.6	Very high	16 Å²	16	26.3 Å²	26.3	17%	0.165	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-42	176.7	0	0	0	0	0	112.6	M796 E797 L798 E803 V804	M796-G800 PolarHBondContact O-N 3.04Å; E797-G800 PolarHBondContact O-N 3.35Å; L798-G800 VanDerWaalsContact C-N 3.34Å; L798-G800 PolarHBondContact O-N 2.93Å; G800-E803 PolarHBondContact O-N 2.66Å; G800-V804 WeakPolarHBondContact O-CG2 3.41Å; G800-V804 PolarHBondContact O-N 2.76Å; G800-V804 VanDerWaalsContact O-N 3.1Å
801	L	96.6	Very high	96.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-70.8	-38.4	178.6	-175.2	55.7	0	0	0	112.5	A783 E797 L798 E799 E803 V804 N805 L888 Y889	A783-L801 HydrophobicContact CB-CD2 3.54Å; A783-L801 HydrophobicContact CB-CG 3.9Å; E797-L801 WeakPolarHBondContact O-CB 3.39Å; E797-L801 PolarHBondContact O-N 3.49Å; L798-L801 PolarHBondContact O-N 3.42Å; L798-L801 VanDerWaalsContact O-N 3.17Å; E799-L801 VanDerWaalsContact C-N 3.31Å; E799-L801 PolarHBondContact O-N 3.06Å; L801-E803 VanDerWaalsContact C-N 3.3Å; L801-E803 PolarHBondContact O-N 3.23Å; L801-V804 PolarHBondContact O-N 2.99Å; L801-N805 PolarHBondContact O-N 3.45Å; L801-N805 PolarHBondContact O-ND2 3.07Å; L801-L888 HydrophobicContact CD2-CD2 4.06Å; L801-Y889 HydrophobicContact CB-CE1 4.07Å; L801-Y889 HydrophobicContact CD1-CD1 4.01Å; L801-Y889 HydrophobicContact CD1-CD2 4.41Å; L801-Y889 HydrophobicContact CD1-CE1 3.91Å; L801-Y889 HydrophobicContact CD1-CE2 4.33Å; L801-Y889 HydrophobicContact CD1-CG 4.27Å
802	L	97.7	Very high	97	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-39	173.3	-71.3	177.5	0	0	0	111.3	L780 A783 L798 E799 N805 R806 F825 L920	L780-L802 HydrophobicContact CD2-CD2 3.84Å; A783-L802 HydrophobicContact CB-CD2 4.44Å; L798-L802 HydrophobicContact CD1-CD1 4.08Å; L798-L802 HydrophobicContact CD1-CD2 4.47Å; L798-L802 HydrophobicContact CD1-CG 4.02Å; L798-L802 HydrophobicContact CG-CD1 3.97Å; L798-L802 HydrophobicContact CG-CG 4.3Å; L798-L802 WeakPolarHBondContact O-CG 3.39Å; L798-L802 PolarHBondContact O-N 2.89Å; E799-L802 PolarHBondContact O-N 3Å; L802-N805 CarbonylContact O-C 3.5Å; L802-N805 WeakPolarHBondContact O-CB 3.36Å; L802-N805 PolarHBondContact O-N 3.22Å; L802-R806 WeakPolarHBondContact O-CB 3.27Å; L802-R806 PolarHBondContact O-N 3.47Å; L802-F825 HydrophobicContact CD1-CD2 4.45Å; L802-F825 HydrophobicContact CD1-CE2 3.64Å; L802-F825 HydrophobicContact CD1-CZ 4.17Å; L802-F825 HydrophobicContact CD2-CD2 3.89Å; L802-F825 HydrophobicContact CD2-CE2 3.79Å; L802-F825 HydrophobicContact CG-CE2 4.38Å; L802-L920 HydrophobicContact CD1-CD2 4.08Å
803	E	97.4	Very high	97.1	Very high	74 Å²	74	26.8 Å²	26.8	35%	0.346	13%	0.13	S	C	.	.	H	α-helix	trans	-69.6	-36.1	177.1	-168.4	54.5	-150.4	0	0	112.3	L722 E799 G800 L801 N805 R806 M807	L722-E803 HydrophobicContact CD1-CG 4.2Å; E799-E803 PolarHBondContact O-N 3.28Å; G800-E803 PolarHBondContact O-N 2.66Å; L801-E803 VanDerWaalsContact C-N 3.3Å; L801-E803 PolarHBondContact O-N 3.23Å; E803-N805 VanDerWaalsContact C-N 3.33Å; E803-N805 PolarHBondContact O-N 3.49Å; E803-R806 PolarHBondContact O-N 3.09Å; E803-R806 WeakPolarHBondContact OE2-CD 3.35Å; E803-R806 IonicContact OE2-NE 3.72Å; E803-R806 PolarHBondContact OE2-NE 3.15Å; E803-R806 VanDerWaalsContact OE2-NE 3.16Å; E803-M807 WeakPolarHBondContact O-CB 3.12Å; E803-M807 PolarHBondContact O-N 3.41Å
804	V	97.9	Very high	97.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-40.3	170	171.5	0	0	0	0	111.1	K715 A718 L722 G800 L801 M807 T808 Y889	K715-V804 HydrophobicContact CD-CG1 3.76Å; A718-V804 HydrophobicContact CB-CG1 4.33Å; L722-V804 HydrophobicContact CD1-CG2 3.9Å; G800-V804 WeakPolarHBondContact O-CG2 3.41Å; G800-V804 PolarHBondContact O-N 2.76Å; G800-V804 VanDerWaalsContact O-N 3.1Å; L801-V804 PolarHBondContact O-N 2.99Å; V804-M807 PolarHBondContact O-N 2.74Å; V804-T808 WeakPolarHBondContact O-CB 3.44Å; V804-T808 PolarHBondContact O-N 3.28Å; V804-T808 PolarHBondContact O-OG1 3.4Å; V804-Y889 HydrophobicContact CG2-CD1 4.15Å; V804-Y889 HydrophobicContact CG2-CE1 4.48Å
805	N	98.1	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-40.2	174.4	-75.7	-42.2	0	0	0	111.8	K715 L776 S779 L780 L801 L802 E803 T808 H809 F821	K715-N805 VanDerWaalsContact CE-OD1 3.25Å; K715-N805 WeakPolarHBondContact CE-OD1 3.39Å; K715-N805 PolarHBondContact NZ-OD1 3.28Å; L776-N805 HydrophobicContact CD1-CB 4.46Å; S779-N805 WeakPolarHBondContact CB-OD1 3.46Å; L780-N805 HydrophobicContact CD2-CB 3.86Å; L801-N805 PolarHBondContact O-N 3.45Å; L801-N805 PolarHBondContact O-ND2 3.07Å; L802-N805 CarbonylContact O-C 3.5Å; L802-N805 WeakPolarHBondContact O-CB 3.36Å; L802-N805 PolarHBondContact O-N 3.22Å; E803-N805 VanDerWaalsContact C-N 3.33Å; E803-N805 PolarHBondContact O-N 3.49Å; N805-T808 WeakPolarHBondContact O-CB 3.43Å; N805-T808 PolarHBondContact O-N 3.42Å; N805-H809 PolarHBondContact O-N 2.94Å; N805-F821 HydrophobicContact CB-CE2 4.12Å
806	R	98.1	Very high	96.9	Very high	114 Å²	114	35.8 Å²	35.8	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-44.6	174.8	-171.7	-170.9	-60.8	-79.2	-1	111.8	L802 E803 T808 H809 K810 F821	L802-R806 WeakPolarHBondContact O-CB 3.27Å; L802-R806 PolarHBondContact O-N 3.47Å; E803-R806 PolarHBondContact O-N 3.09Å; E803-R806 WeakPolarHBondContact OE2-CD 3.35Å; E803-R806 IonicContact OE2-NE 3.72Å; E803-R806 PolarHBondContact OE2-NE 3.15Å; E803-R806 VanDerWaalsContact OE2-NE 3.16Å; R806-T808 VanDerWaalsContact C-N 3.33Å; R806-H809 WeakPolarHBondContact O-CB 3.4Å; R806-H809 PolarHBondContact O-N 3.22Å; R806-K810 WeakPolarHBondContact O-CB 3.29Å; R806-K810 PolarHBondContact O-N 3.32Å; R806-F821 VanDerWaalsContact CA-CE2 3.42Å; R806-F821 HydrophobicContact CB-CD1 4.42Å; R806-F821 HydrophobicContact CB-CD2 4.25Å; R806-F821 HydrophobicContact CB-CE1 4.06Å; R806-F821 HydrophobicContact CB-CE2 3.87Å; R806-F821 HydrophobicContact CB-CG 4.5Å; R806-F821 HydrophobicContact CB-CZ 3.76Å; R806-F821 HydrophobicContact CG-CD1 4.18Å; R806-F821 HydrophobicContact CG-CD2 4.47Å; R806-F821 HydrophobicContact CG-CE1 4.24Å; R806-F821 HydrophobicContact CG-CG 4.29Å; R806-F821 HydrophobicContact CG-CZ 4.4Å; R806-F821 VanDerWaalsContact NH1-CD1 3.3Å
807	M	98.2	Very high	96.9	Very high	40 Å²	40	40.7 Å²	40.7	20%	0.197	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-39.1	175.4	-174.9	58.7	65.9	0	0	111.5	A718 L722 E803 V804 K810 L811	A718-M807 HydrophobicContact CB-CB 3.96Å; A718-M807 HydrophobicContact CB-CG 3.81Å; L722-M807 HydrophobicContact CD1-CB 3.94Å; L722-M807 HydrophobicContact CD1-CG 4.4Å; L722-M807 HydrophobicContact CD2-CE 4.18Å; E803-M807 WeakPolarHBondContact O-CB 3.12Å; E803-M807 PolarHBondContact O-N 3.41Å; V804-M807 PolarHBondContact O-N 2.74Å; M807-K810 PolarHBondContact O-N 3.12Å; M807-K810 HydrophobicContact SD-CD 4.48Å; M807-L811 HydrophobicContact CG-CD1 4.39Å; M807-L811 VanDerWaalsContact O-CG 3.32Å; M807-L811 WeakPolarHBondContact O-CG 3.28Å; M807-L811 PolarHBondContact O-N 3.43Å
808	T	98.3	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-49	175	-55.7	0	0	0	0	111.1	F711 K715 A718 V804 N805 R806 K810 L811 L812	F711-T808 HydrophobicContact CE2-CG2 4.11Å; K715-T808 HydrophobicContact CB-CG2 4.34Å; K715-T808 HydrophobicContact CD-CG2 4.43Å; K715-T808 WeakPolarHBondContact CD-OG1 3.3Å; K715-T808 VanDerWaalsContact CE-OG1 3.32Å; K715-T808 WeakPolarHBondContact CE-OG1 3.46Å; A718-T808 VanDerWaalsContact CB-OG1 3.31Å; A718-T808 WeakPolarHBondContact CB-OG1 3.36Å; V804-T808 WeakPolarHBondContact O-CB 3.44Å; V804-T808 PolarHBondContact O-N 3.28Å; V804-T808 PolarHBondContact O-OG1 3.4Å; N805-T808 WeakPolarHBondContact O-CB 3.43Å; N805-T808 PolarHBondContact O-N 3.42Å; R806-T808 VanDerWaalsContact C-N 3.33Å; T808-K810 VanDerWaalsContact C-N 3.33Å; T808-K810 PolarHBondContact O-N 3.43Å; T808-L811 PolarHBondContact O-N 2.95Å; T808-L812 HydrophobicContact CG2-CD1 3.74Å; T808-L812 WeakPolarHBondContact O-CD1 3.26Å; T808-L812 WeakPolarHBondContact O-CG 3.34Å; T808-L812 PolarHBondContact O-N 2.92Å
809	H	98.4	Very high	96.8	Very high	25 Å²	25	45.3 Å²	45.3	12%	0.116	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-47.4	173.6	174.4	-82.6	0	0	0	111.6	L776 N805 R806 L811 L812 S813 D819 F821	L776-H809 HydrophobicContact CD2-CB 3.83Å; N805-H809 PolarHBondContact O-N 2.94Å; R806-H809 WeakPolarHBondContact O-CB 3.4Å; R806-H809 PolarHBondContact O-N 3.22Å; H809-L811 VanDerWaalsContact C-N 3.34Å; H809-L811 PolarHBondContact O-N 3.49Å; H809-L812 PolarHBondContact O-N 3.41Å; H809-S813 PolarHBondContact CE1-OG 3.23Å; H809-S813 PolarHBondContact ND1-OG 2.91Å; H809-S813 VanDerWaalsContact O-CB 3.26Å; H809-S813 WeakPolarHBondContact O-CB 3.41Å; H809-S813 PolarHBondContact O-N 2.94Å; H809-S813 PolarHBondContact O-OG 3.48Å; H809-D819 PolarHBondContact NE2-O 3.23Å; H809-F821 HydrophobicContact CB-CD2 3.88Å
810	K	97.9	Very high	96.8	Very high	137 Å²	137	47 Å²	47	60%	0.596	24%	0.241	S	C	*	.	H	α-helix	trans	-62.2	-38.4	179.4	-174.8	176	-177.3	175	0	113	R806 M807 T808	R806-K810 WeakPolarHBondContact O-CB 3.29Å; R806-K810 PolarHBondContact O-N 3.32Å; M807-K810 PolarHBondContact O-N 3.12Å; M807-K810 HydrophobicContact SD-CD 4.48Å; T808-K810 VanDerWaalsContact C-N 3.33Å; T808-K810 PolarHBondContact O-N 3.43Å
811	L	97.4	Very high	96.9	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-43.2	177.5	-69.3	172.7	0	0	0	111.6	Y714 L717 A718 L721 M807 T808 H809 K814	Y714-L811 HydrophobicContact CD1-CB 3.84Å; Y714-L811 HydrophobicContact CD1-CD1 4.42Å; L717-L811 HydrophobicContact CB-CD1 4.37Å; L717-L811 HydrophobicContact CD2-CD1 4.08Å; L717-L811 HydrophobicContact CG-CD1 4.08Å; A718-L811 HydrophobicContact CB-CD1 4.11Å; L721-L811 HydrophobicContact CD1-CD1 4.26Å; M807-L811 HydrophobicContact CG-CD1 4.39Å; M807-L811 VanDerWaalsContact O-CG 3.32Å; M807-L811 WeakPolarHBondContact O-CG 3.28Å; M807-L811 PolarHBondContact O-N 3.43Å; T808-L811 PolarHBondContact O-N 2.95Å; H809-L811 VanDerWaalsContact C-N 3.34Å; H809-L811 PolarHBondContact O-N 3.49Å; L811-K814 WeakPolarHBondContact O-CB 3.4Å
812	L	97.4	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-38.5	178.9	-69.8	163.4	0	0	0	112.3	I710 F711 Y714 V772 T808 H809 K814 F815 L816 L818	I710-L812 HydrophobicContact CG2-CD2 4.21Å; F711-L812 HydrophobicContact CD2-CD1 4.08Å; F711-L812 HydrophobicContact CE2-CD1 4.34Å; Y714-L812 HydrophobicContact CD2-CD2 3.43Å; Y714-L812 VanDerWaalsContact CD2-CD2 3.43Å; Y714-L812 HydrophobicContact CD2-CG 4.36Å; Y714-L812 HydrophobicContact CE2-CD2 4.17Å; Y714-L812 HydrophobicContact CG-CD2 3.86Å; Y714-L812 HydrophobicContact CG-CG 4.31Å; V772-L812 HydrophobicContact CG1-CD1 3.6Å; V772-L812 HydrophobicContact CG1-CD2 4.03Å; V772-L812 HydrophobicContact CG1-CG 4.29Å; T808-L812 HydrophobicContact CG2-CD1 3.74Å; T808-L812 WeakPolarHBondContact O-CD1 3.26Å; T808-L812 WeakPolarHBondContact O-CG 3.34Å; T808-L812 PolarHBondContact O-N 2.92Å; H809-L812 PolarHBondContact O-N 3.41Å; L812-K814 PolarHBondContact O-N 3.22Å; L812-F815 PolarHBondContact O-N 3.43Å; L812-L816 HydrophobicContact CD2-CD1 4.34Å; L812-L816 PolarHBondContact O-N 2.98Å; L812-L818 HydrophobicContact CB-CD1 3.86Å; L812-L818 HydrophobicContact CD1-CD1 4.49Å
813	S	96.9	Very high	96.7	Very high	47 Å²	47	52 Å²	52	33%	0.329	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	-179.1	-60.6	0	0	0	0	114	H809 F815 L816	H809-S813 PolarHBondContact CE1-OG 3.23Å; H809-S813 PolarHBondContact ND1-OG 2.91Å; H809-S813 VanDerWaalsContact O-CB 3.26Å; H809-S813 WeakPolarHBondContact O-CB 3.41Å; H809-S813 PolarHBondContact O-N 2.94Å; H809-S813 PolarHBondContact O-OG 3.48Å; S813-F815 PolarHBondContact O-N 3.5Å; S813-L816 WeakPolarHBondContact CA-O 3.25Å
814	K	95.8	Very high	96.7	Very high	140 Å²	140	48.5 Å²	48.5	61%	0.609	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.7	170.6	-64.6	-178.5	-179.3	-179.3	0	112.8	L811 L812	L811-K814 WeakPolarHBondContact O-CB 3.4Å; L812-K814 PolarHBondContact O-N 3.22Å
815	F	94.2	Very high	96.7	Very high	46 Å²	46	49.7 Å²	49.7	20%	0.202	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-25.9	-174	-49.2	-75	0	0	0	112.7	Y714 E747 L750 N765 L812 S813	Y714-F815 HydrophobicContact CE1-CE2 4.22Å; Y714-F815 AromaticContact CZ-CE2 3.89Å; Y714-F815 VanDerWaalsContact OH-CE2 3.24Å; Y714-F815 WeakPolarHBondContact OH-CE2 3.45Å; E747-F815 HydrophobicContact CB-CE1 4.08Å; E747-F815 HydrophobicContact CB-CZ 4.5Å; E747-F815 HydrophobicContact CG-CE1 3.76Å; E747-F815 HydrophobicContact CG-CZ 3.7Å; L750-F815 HydrophobicContact CB-CB 4.02Å; L750-F815 HydrophobicContact CD1-CB 3.89Å; L750-F815 HydrophobicContact CD1-CD2 3.96Å; L750-F815 HydrophobicContact CD1-CG 3.97Å; L750-F815 HydrophobicContact CG-CB 4.49Å; N765-F815 PolarHBondContact ND2-O 2.76Å; L812-F815 PolarHBondContact O-N 3.43Å; S813-F815 PolarHBondContact O-N 3.5Å
816	L	95.3	Very high	96.5	Very high	7 Å²	7	55 Å²	55	4%	0.037	28%	0.278	C	S	.	.	S	Bend	trans	-117.3	147.3	-175.1	-55.3	-178.3	0	0	0	110.8	L750 N765 I768 T769 V772 L812 S813 L818	L750-L816 HydrophobicContact CD2-CD1 4.38Å; L750-L816 HydrophobicContact CD2-CD2 3.62Å; L750-L816 HydrophobicContact CD2-CG 4.25Å; N765-L816 WeakPolarHBondContact ND2-CD2 3.39Å; I768-L816 HydrophobicContact CG2-CD1 4.3Å; T769-L816 WeakPolarHBondContact OG1-CD2 3.3Å; V772-L816 HydrophobicContact CB-CD1 4.01Å; V772-L816 HydrophobicContact CG1-CD1 3.86Å; V772-L816 HydrophobicContact CG2-CD1 4.04Å; L812-L816 HydrophobicContact CD2-CD1 4.34Å; L812-L816 PolarHBondContact O-N 2.98Å; S813-L816 WeakPolarHBondContact CA-O 3.25Å; L816-L818 HydrophobicContact CB-CG 4.33Å; L816-L818 PolarHBondContact O-N 2.82Å
817	T	95.6	Very high	96.4	Very high	128 Å²	128	55 Å²	55	79%	0.785	28%	0.283	S	S	*	.			trans	-91.4	96.1	171.3	-52.2	0	0	0	0	109.2	T769	T769-T817 VanDerWaalsContact CG2-O 3.23Å; T769-T817 WeakPolarHBondContact CG2-O 3.5Å
818	L	95.3	Very high	96.3	Very high	22 Å²	22	53.3 Å²	53.3	12%	0.115	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-98.5	158.1	175.6	-60.7	174.6	0	0	0	110.5	T769 V772 L776 L812 L816	T769-L818 HydrophobicContact CG2-CD2 4.03Å; V772-L818 HydrophobicContact CG1-CD2 4.28Å; L776-L818 HydrophobicContact CD2-CD1 4.34Å; L812-L818 HydrophobicContact CB-CD1 3.86Å; L812-L818 HydrophobicContact CD1-CD1 4.49Å; L816-L818 HydrophobicContact CB-CG 4.33Å; L816-L818 PolarHBondContact O-N 2.82Å
819	D	95.4	Very high	96.2	Very high	93 Å²	93	53.5 Å²	53.5	50%	0.497	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-58.1	154.9	166.5	-61.8	-46.8	0	0	0	110.3	H809 F821 M824	H809-D819 PolarHBondContact NE2-O 3.23Å; D819-F821 PolarHBondContact O-N 2.9Å; D819-M824 HydrophobicContact CB-CG 3.81Å; D819-M824 HydrophobicContact CB-SD 4.29Å
820	S	95.9	Very high	96.1	Very high	72 Å²	72	57.7 Å²	57.7	50%	0.503	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.9	139.9	178.1	77.2	0	0	0	0	110	D822 A823 M824	S820-D822 PolarHBondContact O-N 2.88Å; S820-D822 VanDerWaalsContact O-N 3.15Å; S820-A823 WeakPolarHBondContact O-CB 3.26Å; S820-A823 PolarHBondContact O-N 3.45Å; S820-A823 VanDerWaalsContact OG-CB 3.3Å; S820-A823 WeakPolarHBondContact OG-CB 3.46Å; S820-A823 PolarHBondContact OG-N 2.93Å; S820-M824 PolarHBondContact O-N 2.88Å; S820-M824 VanDerWaalsContact O-N 3.1Å
821	F	97.3	Very high	95.9	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-54.3	-38.2	-179.8	179.2	-92.9	0	0	0	112.2	L780 N805 R806 H809 D819 M824 F825	L780-F821 HydrophobicContact CD2-CE2 3.95Å; L780-F821 HydrophobicContact CD2-CZ 4.03Å; N805-F821 HydrophobicContact CB-CE2 4.12Å; R806-F821 VanDerWaalsContact CA-CE2 3.42Å; R806-F821 HydrophobicContact CB-CD1 4.42Å; R806-F821 HydrophobicContact CB-CD2 4.25Å; R806-F821 HydrophobicContact CB-CE1 4.06Å; R806-F821 HydrophobicContact CB-CE2 3.87Å; R806-F821 HydrophobicContact CB-CG 4.5Å; R806-F821 HydrophobicContact CB-CZ 3.76Å; R806-F821 HydrophobicContact CG-CD1 4.18Å; R806-F821 HydrophobicContact CG-CD2 4.47Å; R806-F821 HydrophobicContact CG-CE1 4.24Å; R806-F821 HydrophobicContact CG-CG 4.29Å; R806-F821 HydrophobicContact CG-CZ 4.4Å; R806-F821 VanDerWaalsContact NH1-CD1 3.3Å; H809-F821 HydrophobicContact CB-CD2 3.88Å; D819-F821 PolarHBondContact O-N 2.9Å; F821-M824 PolarHBondContact O-N 3Å; F821-F825 HydrophobicContact CE1-CB 4.25Å; F821-F825 VanDerWaalsContact O-CB 3.25Å; F821-F825 WeakPolarHBondContact O-CB 3.46Å; F821-F825 PolarHBondContact O-N 3.44Å
822	D	94.8	Very high	95.6	Very high	75 Å²	75	57.7 Å²	57.7	40%	0.401	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-40.7	178.9	-167.2	56.2	0	0	0	112.1	S820 F825 R826	S820-D822 PolarHBondContact O-N 2.88Å; S820-D822 VanDerWaalsContact O-N 3.15Å; D822-F825 PolarHBondContact O-N 3.29Å; D822-R826 WeakPolarHBondContact O-CB 3.45Å; D822-R826 VanDerWaalsContact O-CG 3.26Å; D822-R826 WeakPolarHBondContact O-CG 3.31Å; D822-R826 PolarHBondContact O-N 2.89Å; D822-R826 IonicContact OD1-NE 3.45Å; D822-R826 IonicContact OD2-CZ 3.21Å; D822-R826 VanDerWaalsContact OD2-CZ 3.28Å; D822-R826 IonicContact OD2-NE 2.77Å; D822-R826 PolarHBondContact OD2-NE 2.84Å; D822-R826 IonicContact OD2-NH2 3.75Å; D822-R826 PolarHBondContact OD2-NH2 2.96Å
823	A	95.5	Very high	95.2	Very high	42 Å²	42	63.7 Å²	63.7	35%	0.347	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-49.2	174.8	0	0	0	0	0	111.4	S820 F825 R826 E827	S820-A823 WeakPolarHBondContact O-CB 3.26Å; S820-A823 PolarHBondContact O-N 3.45Å; S820-A823 VanDerWaalsContact OG-CB 3.3Å; S820-A823 WeakPolarHBondContact OG-CB 3.46Å; S820-A823 PolarHBondContact OG-N 2.93Å; A823-F825 VanDerWaalsContact C-N 3.31Å; A823-F825 PolarHBondContact O-N 3.24Å; A823-R826 PolarHBondContact O-N 2.87Å; A823-E827 WeakPolarHBondContact O-CB 3.33Å; A823-E827 PolarHBondContact O-N 3.17Å
824	M	97.3	Very high	94.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-39.9	179	-58.3	-179.8	88.2	0	0	111.9	S773 L776 H777 L780 D819 S820 F821 A828	S773-M824 WeakPolarHBondContact O-CE 3.5Å; S773-M824 WeakPolarHBondContact OG-CE 3.09Å; L776-M824 HydrophobicContact CB-CE 3.93Å; L776-M824 HydrophobicContact CD2-CE 3.84Å; L776-M824 HydrophobicContact CD2-SD 3.6Å; L776-M824 VanDerWaalsContact CD2-SD 3.6Å; L776-M824 HydrophobicContact CG-CE 4.02Å; L776-M824 HydrophobicContact CG-SD 4.26Å; H777-M824 WeakPolarHBondContact CD2-CE 3.47Å; H777-M824 VanDerWaalsContact NE2-CE 3.34Å; H777-M824 WeakPolarHBondContact NE2-CE 3.48Å; L780-M824 HydrophobicContact CD1-CB 3.8Å; D819-M824 HydrophobicContact CB-CG 3.81Å; D819-M824 HydrophobicContact CB-SD 4.29Å; S820-M824 PolarHBondContact O-N 2.88Å; S820-M824 VanDerWaalsContact O-N 3.1Å; F821-M824 PolarHBondContact O-N 3Å; M824-A828 PolarHBondContact O-N 3.33Å
825	F	97.3	Very high	94.4	Very high	26 Å²	26	60.4 Å²	60.4	11%	0.114	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-47.7	176.7	171.8	-110.4	0	0	0	111.9	I784 L802 F821 D822 A823 E827 A828 N829 I839	I784-F825 HydrophobicContact CD1-CE2 4.44Å; L802-F825 HydrophobicContact CD1-CD2 4.45Å; L802-F825 HydrophobicContact CD1-CE2 3.64Å; L802-F825 HydrophobicContact CD1-CZ 4.17Å; L802-F825 HydrophobicContact CD2-CD2 3.89Å; L802-F825 HydrophobicContact CD2-CE2 3.79Å; L802-F825 HydrophobicContact CG-CE2 4.38Å; F821-F825 HydrophobicContact CE1-CB 4.25Å; F821-F825 VanDerWaalsContact O-CB 3.25Å; F821-F825 WeakPolarHBondContact O-CB 3.46Å; F821-F825 PolarHBondContact O-N 3.44Å; D822-F825 PolarHBondContact O-N 3.29Å; A823-F825 VanDerWaalsContact C-N 3.31Å; A823-F825 PolarHBondContact O-N 3.24Å; F825-E827 VanDerWaalsContact C-N 3.28Å; F825-E827 PolarHBondContact O-N 3.42Å; F825-A828 PolarHBondContact O-N 3.4Å; F825-N829 WeakPolarHBondContact O-CB 3.48Å; F825-N829 PolarHBondContact O-N 3.25Å; F825-I839 HydrophobicContact CE2-CD1 3.77Å; F825-I839 HydrophobicContact CZ-CD1 3.63Å
826	R	95	Very high	94.3	Very high	112 Å²	112	62.1 Å²	62.1	42%	0.423	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-39.6	176.5	-73.9	179.7	-167.3	-133.7	6.3	111.5	D822 A823 N829 H830 N831 V832	D822-R826 WeakPolarHBondContact O-CB 3.45Å; D822-R826 VanDerWaalsContact O-CG 3.26Å; D822-R826 WeakPolarHBondContact O-CG 3.31Å; D822-R826 PolarHBondContact O-N 2.89Å; D822-R826 IonicContact OD1-NE 3.45Å; D822-R826 IonicContact OD2-CZ 3.21Å; D822-R826 VanDerWaalsContact OD2-CZ 3.28Å; D822-R826 IonicContact OD2-NE 2.77Å; D822-R826 PolarHBondContact OD2-NE 2.84Å; D822-R826 IonicContact OD2-NH2 3.75Å; D822-R826 PolarHBondContact OD2-NH2 2.96Å; A823-R826 PolarHBondContact O-N 2.87Å; R826-N829 CarbonylContact O-C 3.59Å; R826-N829 PolarHBondContact O-N 3.01Å; R826-H830 PolarHBondContact O-N 3.41Å; R826-N831 HydrophobicContact CB-CB 4.47Å; R826-N831 PolarHBondContact O-N 3.14Å; R826-V832 HydrophobicContact CB-CG2 3.78Å
827	E	95.9	Very high	94.3	Very high	112 Å²	112	61.8 Å²	61.8	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-52.3	176.4	-173.6	177.9	166.7	0	0	111.3	H777 A823 F825 N829 H830 V832	H777-E827 IonicContact CE1-OE2 3.89Å; H777-E827 PolarHBondContact CE1-OE2 3.1Å; H777-E827 IonicContact NE2-OE2 2.76Å; A823-E827 WeakPolarHBondContact O-CB 3.33Å; A823-E827 PolarHBondContact O-N 3.17Å; F825-E827 VanDerWaalsContact C-N 3.28Å; F825-E827 PolarHBondContact O-N 3.42Å; E827-N829 VanDerWaalsContact C-N 3.25Å; E827-N829 PolarHBondContact O-N 3.08Å; E827-H830 WeakPolarHBondContact O-CA 3.5Å; E827-H830 PolarHBondContact O-CD2 2.88Å; E827-H830 PolarHBondContact O-N 3.32Å; E827-V832 HydrophobicContact CB-CG2 4.38Å
828	A	96.1	Very high	94.3	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-34.2	176.5	0	0	0	0	0	112.6	L780 I784 M824 F825 H830 R838	L780-A828 HydrophobicContact CB-CB 3.8Å; I784-A828 HydrophobicContact CD1-CB 4.12Å; M824-A828 PolarHBondContact O-N 3.33Å; F825-A828 PolarHBondContact O-N 3.4Å; A828-H830 PolarHBondContact O-N 2.95Å; A828-R838 WeakPolarHBondContact O-CD 3.4Å; A828-R838 PolarHBondContact O-NH1 3.16Å
829	N	96.5	Very high	94.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.2	175.5	-164.6	26.1	0	0	0	113.1	I784 F825 R826 E827 N831 G837 R838 I839	I784-N829 HydrophobicContact CD1-CB 3.83Å; F825-N829 WeakPolarHBondContact O-CB 3.48Å; F825-N829 PolarHBondContact O-N 3.25Å; R826-N829 CarbonylContact O-C 3.59Å; R826-N829 PolarHBondContact O-N 3.01Å; E827-N829 VanDerWaalsContact C-N 3.25Å; E827-N829 PolarHBondContact O-N 3.08Å; N829-N831 HydrophobicContact CB-CB 4.41Å; N829-N831 PolarHBondContact O-N 2.55Å; N829-G837 CarbonylContact O-C 3.53Å; N829-G837 WeakPolarHBondContact O-CA 3.44Å; N829-R838 PolarHBondContact O-N 3.06Å; N829-R838 WeakPolarHBondContact OD1-CB 3.48Å; N829-R838 PolarHBondContact OD1-N 2.64Å; N829-I839 WeakPolarHBondContact OD1-CG1 3.32Å; N829-I839 PolarHBondContact OD1-N 3.26Å
830	H	95.7	Very high	94.4	Very high	113 Å²	113	51.7 Å²	51.7	52%	0.523	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	31.9	-174.5	-62	-178.4	0	0	0	113.9	R826 E827 A828 A834 R838	R826-H830 PolarHBondContact O-N 3.41Å; E827-H830 WeakPolarHBondContact O-CA 3.5Å; E827-H830 PolarHBondContact O-CD2 2.88Å; E827-H830 PolarHBondContact O-N 3.32Å; A828-H830 PolarHBondContact O-N 2.95Å; H830-A834 WeakPolarHBondContact O-CB 3.42Å; H830-R838 HydrophobicContact CB-CG 4.17Å
831	N	94.1	Very high	94.3	Very high	45 Å²	45	53.1 Å²	53.1	24%	0.241	29%	0.289	C	S	.	.			trans	-108.1	34.2	-174.7	-161	40.1	0	0	0	112.9	R826 N829 A834 G837	R826-N831 HydrophobicContact CB-CB 4.47Å; R826-N831 PolarHBondContact O-N 3.14Å; N829-N831 HydrophobicContact CB-CB 4.41Å; N829-N831 PolarHBondContact O-N 2.55Å; N831-A834 PolarHBondContact OD1-O 3.24Å; N831-G837 PolarHBondContact OD1-N 2.75Å
832	V	91.3	Very high	94.3	Very high	108 Å²	108	53.2 Å²	53.2	66%	0.655	29%	0.29	S	S	*	.	S	Bend	trans	-106.3	-54.7	175.5	179.4	0	0	0	0	110.2	R826 E827	R826-V832 HydrophobicContact CB-CG2 3.78Å; E827-V832 HydrophobicContact CB-CG2 4.38Å
833	S	89.2	Confident	94.4	Very high	126 Å²	126	49.7 Å²	49.7	88%	0.881	27%	0.271	S	S	*	.	S	Bend	trans	-95.5	-3.2	177.7	58.5	0	0	0	0	113.6
834	A	88.1	Confident	94.4	Very high	39 Å²	39	50.2 Å²	50.2	32%	0.322	27%	0.265	S	S	.	.	S	Bend	trans	-121.3	148.9	177.5	0	0	0	0	0	110.3	H830 N831 Y836	H830-A834 WeakPolarHBondContact O-CB 3.42Å; N831-A834 PolarHBondContact OD1-O 3.24Å; A834-Y836 VanDerWaalsContact C-N 3.3Å; A834-Y836 PolarHBondContact O-N 3.06Å
835	P	87.3	Confident	94.3	Very high	80 Å²	80	55.3 Å²	55.3	52%	0.519	29%	0.285	S	S	.	.	S	Bend	trans	-74.8	-19	-178.6	29	-34.9	0	0	0	113.7	Q924	P835-Q924 PolarHBondContact O-NE2 3.17Å
836	Y	92.3	Very high	94.2	Very high	81 Å²	81	54.2 Å²	54.2	32%	0.318	28%	0.28	S	S	.	.	S	Bend	trans	-132.6	127.9	-178.9	-50.3	-66.7	0	0	0	109.4	A834 Q924 V928	A834-Y836 VanDerWaalsContact C-N 3.3Å; A834-Y836 PolarHBondContact O-N 3.06Å; Y836-Q924 HydrophobicContact CD1-CG 4.39Å; Y836-Q924 HydrophobicContact CE1-CG 3.81Å; Y836-V928 HydrophobicContact CD1-CB 4.33Å; Y836-V928 HydrophobicContact CD1-CG1 3.68Å; Y836-V928 HydrophobicContact CE1-CB 3.57Å; Y836-V928 HydrophobicContact CE1-CG1 3.4Å; Y836-V928 VanDerWaalsContact CE1-CG1 3.4Å; Y836-V928 HydrophobicContact CE1-CG2 4.04Å; Y836-V928 HydrophobicContact CE2-CG2 4.08Å; Y836-V928 HydrophobicContact CG-CG1 4.42Å
837	G	93.6	Very high	94.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.26	C	S	.	.			trans	-77.9	165.3	177.1	0	0	0	0	0	113.1	N829 N831 I839 T840 L841	N829-G837 CarbonylContact O-C 3.53Å; N829-G837 WeakPolarHBondContact O-CA 3.44Å; N831-G837 PolarHBondContact OD1-N 2.75Å; G837-I839 VanDerWaalsContact C-N 3.29Å; G837-I839 PolarHBondContact O-N 3.43Å; G837-T840 WeakPolarHBondContact O-CB 3.24Å; G837-T840 PolarHBondContact O-N 3.02Å; G837-T840 VanDerWaalsContact O-N 3.07Å; G837-L841 WeakPolarHBondContact O-CG 3.41Å; G837-L841 PolarHBondContact O-N 2.58Å; G837-L841 VanDerWaalsContact O-N 3.09Å
838	R	96	Very high	94.1	Very high	21 Å²	21	45.8 Å²	45.8	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-49.9	-44.1	175.8	-73.1	168.5	64.1	-177.2	10.8	113.6	E781 I784 N785 E788 A828 N829 H830 T840 L841 H842	E781-R838 IonicContact OE1-CZ 2.7Å; E781-R838 IonicContact OE1-NH1 3.32Å; E781-R838 PolarHBondContact OE1-NH1 3.29Å; E781-R838 IonicContact OE1-NH2 2.81Å; E781-R838 PolarHBondContact OE1-NH2 3.07Å; E781-R838 VanDerWaalsContact OE1-NH2 3.13Å; E781-R838 IonicContact OE2-NH1 2.71Å; E781-R838 PolarHBondContact OE2-NH1 2.71Å; I784-R838 HydrophobicContact CG2-CB 3.91Å; N785-R838 PolarHBondContact OD1-NH2 3.33Å; E788-R838 WeakPolarHBondContact OE1-CB 3.2Å; E788-R838 IonicContact OE1-CZ 3.57Å; E788-R838 IonicContact OE1-NE 2.76Å; E788-R838 PolarHBondContact OE1-NE 2.9Å; E788-R838 IonicContact OE1-NH2 3.75Å; E788-R838 IonicContact OE2-CZ 2.82Å; E788-R838 IonicContact OE2-NE 3.36Å; E788-R838 IonicContact OE2-NH2 3.92Å; E788-R838 PolarHBondContact OE2-NH2 3.25Å; A828-R838 WeakPolarHBondContact O-CD 3.4Å; A828-R838 PolarHBondContact O-NH1 3.16Å; N829-R838 PolarHBondContact O-N 3.06Å; N829-R838 WeakPolarHBondContact OD1-CB 3.48Å; N829-R838 PolarHBondContact OD1-N 2.64Å; H830-R838 HydrophobicContact CB-CG 4.17Å; R838-T840 PolarHBondContact O-N 3.17Å; R838-L841 PolarHBondContact O-N 3.41Å; R838-H842 WeakPolarHBondContact O-CB 3.27Å; R838-H842 PolarHBondContact O-N 3.1Å
839	I	97.1	Very high	93.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-45.3	178.5	-62.4	165.5	0	0	0	110.9	I784 F787 L798 F825 N829 G837 H842 V843 L920	I784-I839 HydrophobicContact CD1-CD1 4.4Å; I784-I839 HydrophobicContact CG1-CD1 4.27Å; I784-I839 HydrophobicContact CG1-CG1 4.35Å; I784-I839 HydrophobicContact CG2-CG1 4.29Å; F787-I839 HydrophobicContact CD1-CG2 4.38Å; F787-I839 HydrophobicContact CE1-CG2 3.94Å; L798-I839 HydrophobicContact CD2-CD1 3.93Å; L798-I839 HydrophobicContact CD2-CG1 3.99Å; L798-I839 HydrophobicContact CD2-CG2 4.18Å; F825-I839 HydrophobicContact CE2-CD1 3.77Å; F825-I839 HydrophobicContact CZ-CD1 3.63Å; N829-I839 WeakPolarHBondContact OD1-CG1 3.32Å; N829-I839 PolarHBondContact OD1-N 3.26Å; G837-I839 VanDerWaalsContact C-N 3.29Å; G837-I839 PolarHBondContact O-N 3.43Å; I839-H842 PolarHBondContact O-N 2.75Å; I839-V843 VanDerWaalsContact O-CG2 3.31Å; I839-V843 WeakPolarHBondContact O-CG2 3.34Å; I839-V843 PolarHBondContact O-N 2.76Å; I839-L920 HydrophobicContact CG2-CB 4.29Å; I839-L920 HydrophobicContact CG2-CD1 4.24Å
840	T	95.8	Very high	93.7	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-43.2	179.1	-57.4	0	0	0	0	111.3	G837 R838 V843 F844 L921 V928	G837-T840 WeakPolarHBondContact O-CB 3.24Å; G837-T840 PolarHBondContact O-N 3.02Å; G837-T840 VanDerWaalsContact O-N 3.07Å; R838-T840 PolarHBondContact O-N 3.17Å; T840-V843 PolarHBondContact O-N 3.31Å; T840-F844 PolarHBondContact O-N 2.82Å; T840-F844 VanDerWaalsContact O-N 3.12Å; T840-L921 HydrophobicContact CG2-CG 4.16Å; T840-V928 HydrophobicContact CG2-CG1 4.15Å
841	L	95.1	Very high	93.7	Very high	101 Å²	101	45.4 Å²	45.4	53%	0.529	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-43.8	178.2	-63.6	174.2	0	0	0	111.5	G837 R838 F844 W845	G837-L841 WeakPolarHBondContact O-CG 3.41Å; G837-L841 PolarHBondContact O-N 2.58Å; G837-L841 VanDerWaalsContact O-N 3.09Å; R838-L841 PolarHBondContact O-N 3.41Å; L841-F844 PolarHBondContact O-N 3.09Å; L841-W845 WeakPolarHBondContact O-CB 3.41Å; L841-W845 PolarHBondContact O-N 3.09Å
842	H	96.3	Very high	93.8	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-38.2	177.6	-167.5	59.2	0	0	0	112.4	F787 E788 E790 R838 I839 F844 W845 E846	F787-H842 HydrophobicContact CD1-CB 4.32Å; F787-H842 AromaticContact CD1-CD2 3.66Å; F787-H842 HydrophobicContact CE1-CB 3.98Å; F787-H842 AromaticContact CE1-CD2 3.49Å; F787-H842 VanDerWaalsContact CE1-CD2 3.49Å; F787-H842 WeakPolarHBondContact CE1-CD2 3.48Å; F787-H842 AromaticContact CZ-CD2 3.75Å; F787-H842 PolarHBondContact O-CD2 2.87Å; F787-H842 PolarHBondContact O-NE2 3.48Å; E788-H842 WeakPolarHBondContact CA-NE2 3.3Å; E788-H842 HydrophobicContact CG-CB 4.25Å; E788-H842 PolarHBondContact O-CE1 3.29Å; E790-H842 PolarHBondContact O-NE2 2.81Å; R838-H842 WeakPolarHBondContact O-CB 3.27Å; R838-H842 PolarHBondContact O-N 3.1Å; I839-H842 PolarHBondContact O-N 2.75Å; H842-F844 VanDerWaalsContact C-N 3.33Å; H842-F844 PolarHBondContact O-N 2.89Å; H842-W845 WeakPolarHBondContact O-CB 3.19Å; H842-W845 PolarHBondContact O-N 2.89Å; H842-E846 IonicContact CE1-OE1 3.37Å; H842-E846 PolarHBondContact CE1-OE1 2.85Å; H842-E846 WeakPolarHBondContact NE2-CG 3.45Å; H842-E846 IonicContact NE2-OE1 3.5Å; H842-E846 WeakPolarHBondContact O-CB 3.43Å; H842-E846 WeakPolarHBondContact O-CG 3.3Å; H842-E846 PolarHBondContact O-N 2.92Å
843	V	96.8	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-46.3	173.3	165.8	0	0	0	0	110.8	F787 L792 I795 I839 T840 L847 M917 L921	F787-V843 HydrophobicContact CE1-CG2 4.09Å; F787-V843 HydrophobicContact CZ-CG2 3.85Å; L792-V843 HydrophobicContact CD1-CB 4.29Å; L792-V843 HydrophobicContact CD1-CG1 4.09Å; L792-V843 HydrophobicContact CD1-CG2 3.91Å; I795-V843 HydrophobicContact CD1-CG2 3.95Å; I839-V843 VanDerWaalsContact O-CG2 3.31Å; I839-V843 WeakPolarHBondContact O-CG2 3.34Å; I839-V843 PolarHBondContact O-N 2.76Å; T840-V843 PolarHBondContact O-N 3.31Å; V843-L847 HydrophobicContact CG1-CD1 4.01Å; V843-L847 HydrophobicContact CG1-CG 4.42Å; V843-L847 WeakPolarHBondContact O-CB 3.44Å; V843-L847 WeakPolarHBondContact O-CG 3.34Å; V843-L847 PolarHBondContact O-N 3.49Å; V843-M917 HydrophobicContact CG1-SD 4.46Å; V843-L921 HydrophobicContact CB-CD1 4.35Å; V843-L921 HydrophobicContact CG1-CD1 4.44Å; V843-L921 HydrophobicContact CG1-CD2 4.16Å; V843-L921 HydrophobicContact CG2-CD1 4.06Å
844	F	95.4	Very high	94.1	Very high	53 Å²	53	32.4 Å²	32.4	23%	0.232	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-41.9	176.1	175.2	-108	0	0	0	112.4	T840 L841 H842 E846 L847 N848 V929 E932	T840-F844 PolarHBondContact O-N 2.82Å; T840-F844 VanDerWaalsContact O-N 3.12Å; L841-F844 PolarHBondContact O-N 3.09Å; H842-F844 VanDerWaalsContact C-N 3.33Å; H842-F844 PolarHBondContact O-N 2.89Å; F844-E846 PolarHBondContact O-N 3.37Å; F844-L847 WeakPolarHBondContact O-CB 3.46Å; F844-L847 PolarHBondContact O-N 2.69Å; F844-N848 HydrophobicContact CZ-CB 4.49Å; F844-N848 WeakPolarHBondContact O-CB 3.12Å; F844-N848 PolarHBondContact O-N 3.42Å; F844-V929 HydrophobicContact CB-CG2 4.37Å; F844-E932 HydrophobicContact CD2-CB 3.88Å; F844-E932 HydrophobicContact CE1-CB 4.38Å; F844-E932 HydrophobicContact CE2-CB 3.26Å; F844-E932 HydrophobicContact CE2-CG 4.15Å; F844-E932 HydrophobicContact CZ-CB 3.56Å; F844-E932 HydrophobicContact CZ-CG 4.12Å
845	W	94.9	Very high	94.5	Very high	108 Å²	108	30.7 Å²	30.7	41%	0.409	14%	0.143	S	C	.	.	H	α-helix	trans	-55.6	-52.1	176.1	-175.4	-87.2	0	0	0	111.4	L841 H842 L847 N848 Y849 F875	L841-W845 WeakPolarHBondContact O-CB 3.41Å; L841-W845 PolarHBondContact O-N 3.09Å; H842-W845 WeakPolarHBondContact O-CB 3.19Å; H842-W845 PolarHBondContact O-N 2.89Å; W845-L847 VanDerWaalsContact C-N 3.32Å; W845-L847 PolarHBondContact O-N 3.36Å; W845-N848 PolarHBondContact O-N 3.09Å; W845-Y849 AromaticContact CD1-CD2 3.93Å; W845-Y849 AromaticContact CD2-CD2 3.66Å; W845-Y849 HydrophobicContact CD2-CD2 3.66Å; W845-Y849 AromaticContact CD2-CE2 3.61Å; W845-Y849 HydrophobicContact CD2-CE2 3.61Å; W845-Y849 AromaticContact CE2-CD2 3.52Å; W845-Y849 AromaticContact CE2-CE2 3.57Å; W845-Y849 HydrophobicContact CE3-CD2 4.21Å; W845-Y849 AromaticContact CE3-CE2 3.69Å; W845-Y849 HydrophobicContact CE3-CE2 3.69Å; W845-Y849 AromaticContact CG-CD2 3.91Å; W845-Y849 HydrophobicContact CG-CD2 3.91Å; W845-Y849 HydrophobicContact CG-CE2 4.31Å; W845-Y849 HydrophobicContact CH2-CD2 4.48Å; W845-Y849 AromaticContact CH2-CE2 3.72Å; W845-Y849 HydrophobicContact CH2-CE2 3.72Å; W845-Y849 AromaticContact CZ2-CD2 3.97Å; W845-Y849 HydrophobicContact CZ2-CD2 3.97Å; W845-Y849 AromaticContact CZ2-CE2 3.64Å; W845-Y849 HydrophobicContact CZ2-CE2 3.64Å; W845-Y849 AromaticContact CZ3-CE2 3.75Å; W845-Y849 HydrophobicContact CZ3-CE2 3.75Å; W845-Y849 AromaticContact NE1-CD2 3.68Å; W845-Y849 VanDerWaalsContact O-CD2 3.26Å; W845-Y849 WeakPolarHBondContact O-CD2 3.43Å; W845-Y849 PolarHBondContact O-N 3.28Å; W845-F875 HydrophobicContact CZ2-CZ 4.09Å
846	E	95.4	Very high	94.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-67.8	-31.6	178.6	-70.4	-65.5	140.4	0	0	112.5	D791 L792 H842 F844 D850 F851 R877	D791-E846 WeakPolarHBondContact CA-OE2 3.49Å; L792-E846 HydrophobicContact CB-CB 4.07Å; H842-E846 IonicContact CE1-OE1 3.37Å; H842-E846 PolarHBondContact CE1-OE1 2.85Å; H842-E846 WeakPolarHBondContact NE2-CG 3.45Å; H842-E846 IonicContact NE2-OE1 3.5Å; H842-E846 WeakPolarHBondContact O-CB 3.43Å; H842-E846 WeakPolarHBondContact O-CG 3.3Å; H842-E846 PolarHBondContact O-N 2.92Å; F844-E846 PolarHBondContact O-N 3.37Å; E846-D850 WeakPolarHBondContact O-CA 3.45Å; E846-D850 PolarHBondContact O-N 2.88Å; E846-F851 PolarHBondContact O-N 3.05Å; E846-R877 IonicContact OE1-CZ 3.18Å; E846-R877 IonicContact OE1-NE 3.16Å; E846-R877 PolarHBondContact OE1-NE 3Å; E846-R877 IonicContact OE1-NH2 2.66Å; E846-R877 IonicContact OE2-CZ 2.81Å; E846-R877 IonicContact OE2-NE 2.65Å; E846-R877 IonicContact OE2-NH2 3.5Å; E846-R877 PolarHBondContact OE2-NH2 2.94Å
847	L	95.4	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-60.3	-51.1	171.4	-77.1	171.1	0	0	0	110.6	L792 V843 F844 W845 F851 L852 V929 F1006	L792-L847 HydrophobicContact CD2-CD2 3.73Å; L792-L847 HydrophobicContact CD2-CG 4.16Å; V843-L847 HydrophobicContact CG1-CD1 4.01Å; V843-L847 HydrophobicContact CG1-CG 4.42Å; V843-L847 WeakPolarHBondContact O-CB 3.44Å; V843-L847 WeakPolarHBondContact O-CG 3.34Å; V843-L847 PolarHBondContact O-N 3.49Å; F844-L847 WeakPolarHBondContact O-CB 3.46Å; F844-L847 PolarHBondContact O-N 2.69Å; W845-L847 VanDerWaalsContact C-N 3.32Å; W845-L847 PolarHBondContact O-N 3.36Å; L847-F851 HydrophobicContact CD2-CB 3.89Å; L847-F851 HydrophobicContact CD2-CD1 3.43Å; L847-F851 VanDerWaalsContact CD2-CD1 3.43Å; L847-F851 HydrophobicContact CD2-CE1 4.15Å; L847-F851 HydrophobicContact CD2-CG 3.79Å; L847-L852 WeakPolarHBondContact O-CB 3.41Å; L847-L852 WeakPolarHBondContact O-CG 3.42Å; L847-L852 PolarHBondContact O-N 3.16Å; L847-V929 HydrophobicContact CD1-CG1 3.57Å; L847-F1006 HydrophobicContact CD1-CD1 4.32Å; L847-F1006 HydrophobicContact CD1-CE1 3.78Å; L847-F1006 HydrophobicContact CD1-CE2 4.16Å; L847-F1006 HydrophobicContact CD1-CZ 3.69Å; L847-F1006 HydrophobicContact CD2-CD2 3.76Å; L847-F1006 HydrophobicContact CD2-CE2 3.67Å; L847-F1006 HydrophobicContact CD2-CG 4.26Å; L847-F1006 HydrophobicContact CD2-CZ 4.09Å; L847-F1006 HydrophobicContact CG-CZ 4.5Å
848	N	93.2	Very high	95.2	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	13%	0.126	S	C	.	.	I	π-helix	trans	-67.8	-44.1	-175.9	-173.6	66.5	0	0	0	113	F844 W845	F844-N848 HydrophobicContact CZ-CB 4.49Å; F844-N848 WeakPolarHBondContact O-CB 3.12Å; F844-N848 PolarHBondContact O-N 3.42Å; W845-N848 PolarHBondContact O-N 3.09Å
849	Y	91.4	Very high	95	Very high	104 Å²	104	28 Å²	28	41%	0.408	14%	0.138	S	C	.	.	I	π-helix	trans	-95.7	-21.1	-171	-69.7	-70.5	0	0	0	115.1	W845 P853	W845-Y849 AromaticContact CD1-CD2 3.93Å; W845-Y849 AromaticContact CD2-CD2 3.66Å; W845-Y849 HydrophobicContact CD2-CD2 3.66Å; W845-Y849 AromaticContact CD2-CE2 3.61Å; W845-Y849 HydrophobicContact CD2-CE2 3.61Å; W845-Y849 AromaticContact CE2-CD2 3.52Å; W845-Y849 AromaticContact CE2-CE2 3.57Å; W845-Y849 HydrophobicContact CE3-CD2 4.21Å; W845-Y849 AromaticContact CE3-CE2 3.69Å; W845-Y849 HydrophobicContact CE3-CE2 3.69Å; W845-Y849 AromaticContact CG-CD2 3.91Å; W845-Y849 HydrophobicContact CG-CD2 3.91Å; W845-Y849 HydrophobicContact CG-CE2 4.31Å; W845-Y849 HydrophobicContact CH2-CD2 4.48Å; W845-Y849 AromaticContact CH2-CE2 3.72Å; W845-Y849 HydrophobicContact CH2-CE2 3.72Å; W845-Y849 AromaticContact CZ2-CD2 3.97Å; W845-Y849 HydrophobicContact CZ2-CD2 3.97Å; W845-Y849 AromaticContact CZ2-CE2 3.64Å; W845-Y849 HydrophobicContact CZ2-CE2 3.64Å; W845-Y849 AromaticContact CZ3-CE2 3.75Å; W845-Y849 HydrophobicContact CZ3-CE2 3.75Å; W845-Y849 AromaticContact NE1-CD2 3.68Å; W845-Y849 VanDerWaalsContact O-CD2 3.26Å; W845-Y849 WeakPolarHBondContact O-CD2 3.43Å; W845-Y849 PolarHBondContact O-N 3.28Å; Y849-P853 VanDerWaalsContact O-CG 3.3Å; Y849-P853 WeakPolarHBondContact O-CG 3.34Å
850	D	94.2	Very high	94.8	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.043	18%	0.178	C	C	.	.	I	π-helix	trans	-125.4	-54.9	-177.6	-166.7	14.6	0	0	0	112.6	E846 P853 N854 R866 R877	E846-D850 WeakPolarHBondContact O-CA 3.45Å; E846-D850 PolarHBondContact O-N 2.88Å; D850-P853 WeakPolarHBondContact O-CD 3.34Å; D850-N854 WeakPolarHBondContact O-CA 3.2Å; D850-N854 WeakPolarHBondContact O-CB 3.47Å; D850-N854 PolarHBondContact O-N 3.22Å; D850-N854 WeakPolarHBondContact OD1-CB 3.42Å; D850-N854 PolarHBondContact OD1-ND2 2.86Å; D850-R866 IonicContact OD1-CZ 3.64Å; D850-R866 IonicContact OD1-NH1 3.49Å; D850-R866 PolarHBondContact OD1-NH1 3.22Å; D850-R866 IonicContact OD1-NH2 3.6Å; D850-R866 IonicContact OD2-CZ 3.84Å; D850-R866 IonicContact OD2-NH1 3.81Å; D850-R866 PolarHBondContact OD2-NH1 2.99Å; D850-R866 IonicContact OD2-NH2 3.89Å; D850-R866 PolarHBondContact OD2-NH2 2.92Å; D850-R877 IonicContact OD2-CZ 3.59Å; D850-R877 IonicContact OD2-NH2 2.72Å; D850-R877 PolarHBondContact OD2-NH2 2.87Å
851	F	95.6	Very high	94.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.198	C	C	.	.	I	π-helix	trans	-61.6	-58.1	-173	179	-106.6	0	0	0	113	L792 E846 L847 Y855 F864 L909 N1002 F1006	L792-F851 HydrophobicContact CD2-CB 4.32Å; E846-F851 PolarHBondContact O-N 3.05Å; L847-F851 HydrophobicContact CD2-CB 3.89Å; L847-F851 HydrophobicContact CD2-CD1 3.43Å; L847-F851 VanDerWaalsContact CD2-CD1 3.43Å; L847-F851 HydrophobicContact CD2-CE1 4.15Å; L847-F851 HydrophobicContact CD2-CG 3.79Å; F851-Y855 VanDerWaalsContact CA-CD2 3.5Å; F851-Y855 HydrophobicContact CB-CD2 4.42Å; F851-Y855 HydrophobicContact CD2-CD1 4.23Å; F851-Y855 AromaticContact CD2-CD2 3.97Å; F851-Y855 HydrophobicContact CD2-CD2 3.97Å; F851-Y855 HydrophobicContact CD2-CE2 4.47Å; F851-Y855 AromaticContact CD2-CG 3.81Å; F851-Y855 HydrophobicContact CD2-CG 3.81Å; F851-Y855 HydrophobicContact CE2-CD1 4.44Å; F851-Y855 HydrophobicContact CE2-CG 4.24Å; F851-Y855 WeakPolarHBondContact O-CB 3.37Å; F851-Y855 PolarHBondContact O-N 2.75Å; F851-Y855 VanDerWaalsContact O-N 3.1Å; F851-F864 HydrophobicContact CE1-CE1 4.4Å; F851-F864 HydrophobicContact CE2-CB 4.08Å; F851-F864 AromaticContact CE2-CD1 3.77Å; F851-F864 HydrophobicContact CE2-CD1 3.77Å; F851-F864 AromaticContact CE2-CD2 3.97Å; F851-F864 HydrophobicContact CE2-CD2 3.97Å; F851-F864 HydrophobicContact CE2-CE1 4.13Å; F851-F864 HydrophobicContact CE2-CE2 4.32Å; F851-F864 AromaticContact CE2-CG 3.68Å; F851-F864 HydrophobicContact CE2-CG 3.68Å; F851-F864 HydrophobicContact CE2-CZ 4.41Å; F851-F864 AromaticContact CZ-CD1 3.68Å; F851-F864 HydrophobicContact CZ-CD1 3.68Å; F851-F864 AromaticContact CZ-CD2 3.98Å; F851-F864 HydrophobicContact CZ-CD2 3.98Å; F851-F864 AromaticContact CZ-CE1 3.53Å; F851-F864 HydrophobicContact CZ-CE1 3.53Å; F851-F864 AromaticContact CZ-CE2 3.86Å; F851-F864 HydrophobicContact CZ-CE2 3.86Å; F851-F864 AromaticContact CZ-CG 3.9Å; F851-F864 HydrophobicContact CZ-CG 3.9Å; F851-F864 AromaticContact CZ-CZ 3.65Å; F851-F864 HydrophobicContact CZ-CZ 3.65Å; F851-L909 HydrophobicContact CD2-CD1 3.8Å; F851-L909 HydrophobicContact CE2-CB 4.39Å; F851-L909 HydrophobicContact CE2-CD1 3.83Å; F851-L909 HydrophobicContact CE2-CD2 3.88Å; F851-L909 HydrophobicContact CE2-CG 4.26Å; F851-L909 HydrophobicContact CZ-CD2 4.36Å; F851-N1002 HydrophobicContact CE1-CB 4.31Å; F851-F1006 HydrophobicContact CE1-CB 4.16Å; F851-F1006 HydrophobicContact CE1-CD2 4.12Å; F851-F1006 HydrophobicContact CZ-CD2 4.47Å
852	L	94.8	Very high	94.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-56.8	-50.3	-179.1	-63.3	179	0	0	0	111.5	L847 L933 V936 R998 E999 N1002 A1003	L847-L852 WeakPolarHBondContact O-CB 3.41Å; L847-L852 WeakPolarHBondContact O-CG 3.42Å; L847-L852 PolarHBondContact O-N 3.16Å; L852-L933 HydrophobicContact CD1-CD2 3.83Å; L852-L933 HydrophobicContact CD2-CD2 4.48Å; L852-V936 HydrophobicContact CD1-CG1 4.15Å; L852-R998 VanDerWaalsContact O-CZ 3.25Å; L852-R998 PolarHBondContact O-NE 3.35Å; L852-R998 PolarHBondContact O-NH2 2.85Å; L852-E999 HydrophobicContact CB-CB 4.34Å; L852-E999 HydrophobicContact CB-CG 4.21Å; L852-E999 WeakPolarHBondContact O-CG 3.46Å; L852-N1002 HydrophobicContact CD2-CB 3.77Å; L852-N1002 PolarHBondContact O-ND2 3.43Å; L852-A1003 HydrophobicContact CD1-CB 4.46Å; L852-A1003 HydrophobicContact CD2-CB 3.76Å; L852-A1003 VanDerWaalsContact CD2-N 3.3Å
853	P	93.6	Very high	94.6	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-87.5	-12.2	-174.6	34.6	-40	0	0	0	116.2	Y849 D850 Q995 R998 E999	Y849-P853 VanDerWaalsContact O-CG 3.3Å; Y849-P853 WeakPolarHBondContact O-CG 3.34Å; D850-P853 WeakPolarHBondContact O-CD 3.34Å; P853-Q995 PolarHBondContact O-NE2 3.36Å; P853-R998 VanDerWaalsContact C-CZ 3.46Å; P853-R998 VanDerWaalsContact CA-NH2 3.3Å; P853-R998 PolarHBondContact O-NH1 3.47Å; P853-R998 PolarHBondContact O-NH2 2.89Å; P853-E999 HydrophobicContact CB-CG 4.35Å
854	N	94.3	Very high	94.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-119.3	-4.5	178.1	-57.7	-39.6	0	0	0	117.7	D850 R866 T867 F871 Q873	D850-N854 WeakPolarHBondContact O-CA 3.2Å; D850-N854 WeakPolarHBondContact O-CB 3.47Å; D850-N854 PolarHBondContact O-N 3.22Å; D850-N854 WeakPolarHBondContact OD1-CB 3.42Å; D850-N854 PolarHBondContact OD1-ND2 2.86Å; N854-R866 CarbonylContact O-C 3.02Å; N854-R866 WeakPolarHBondContact O-CA 3.45Å; N854-T867 HydrophobicContact CB-CG2 4.41Å; N854-T867 WeakPolarHBondContact O-CB 3.44Å; N854-T867 WeakPolarHBondContact O-CG2 3.19Å; N854-T867 PolarHBondContact O-N 2.85Å; N854-F871 PolarHBondContact OD1-O 3.49Å; N854-Q873 PolarHBondContact ND2-O 3.32Å; N854-Q873 PolarHBondContact OD1-N 3.47Å
855	Y	95.5	Very high	94.6	Very high	3 Å²	3	40 Å²	40	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.3	-178.7	-74	-109.6	0	0	0	115.3	F851 F864 V865 R866 L909 R998 N1002	F851-Y855 VanDerWaalsContact CA-CD2 3.5Å; F851-Y855 HydrophobicContact CB-CD2 4.42Å; F851-Y855 HydrophobicContact CD2-CD1 4.23Å; F851-Y855 AromaticContact CD2-CD2 3.97Å; F851-Y855 HydrophobicContact CD2-CD2 3.97Å; F851-Y855 HydrophobicContact CD2-CE2 4.47Å; F851-Y855 AromaticContact CD2-CG 3.81Å; F851-Y855 HydrophobicContact CD2-CG 3.81Å; F851-Y855 HydrophobicContact CE2-CD1 4.44Å; F851-Y855 HydrophobicContact CE2-CG 4.24Å; F851-Y855 WeakPolarHBondContact O-CB 3.37Å; F851-Y855 PolarHBondContact O-N 2.75Å; F851-Y855 VanDerWaalsContact O-N 3.1Å; Y855-F864 HydrophobicContact CD1-CB 3.75Å; Y855-F864 HydrophobicContact CG-CB 4.38Å; Y855-V865 CarbonylContact C-O 3.59Å; Y855-V865 WeakPolarHBondContact CA-O 3.34Å; Y855-R866 HydrophobicContact CE1-CG 4.18Å; Y855-R866 HydrophobicContact CE2-CG 4.26Å; Y855-R866 PolarHBondContact OH-NH2 3.07Å; Y855-L909 HydrophobicContact CE1-CB 4.23Å; Y855-R998 PolarHBondContact O-NE 3.49Å; Y855-R998 PolarHBondContact O-NH2 2.85Å; Y855-N1002 PolarHBondContact O-ND2 2.85Å
856	C	95.8	Very high	94.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	179	-60.1	0	0	0	0	109.7	F864 V865 C1152	C856-F864 VanDerWaalsContact O-CA 3.26Å; C856-F864 WeakPolarHBondContact O-CA 3.41Å; C856-V865 HydrophobicContact CB-CG2 4.32Å; C856-V865 PolarHBondContact N-O 3.1Å; C856-V865 PolarHBondContact O-N 2.92Å; C856-C1152 PolarHBondContact SG-O 3.33Å
857	Y	97.5	Very high	94.2	Very high	23 Å²	23	39.7 Å²	39.7	9%	0.09	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.9	175.6	-172.2	-126.2	0	0	0	112	N862 F864 L1005 L1009 D1155	Y857-N862 PolarHBondContact OH-OD1 3Å; Y857-N862 VanDerWaalsContact OH-OD1 3.09Å; Y857-F864 VanDerWaalsContact CB-CE1 3.47Å; Y857-F864 HydrophobicContact CD2-CD1 4Å; Y857-F864 AromaticContact CD2-CD2 3.81Å; Y857-F864 HydrophobicContact CD2-CD2 3.81Å; Y857-F864 AromaticContact CD2-CE1 3.71Å; Y857-F864 HydrophobicContact CD2-CE1 3.71Å; Y857-F864 AromaticContact CD2-CE2 3.48Å; Y857-F864 HydrophobicContact CD2-CE2 3.48Å; Y857-F864 VanDerWaalsContact CD2-CE2 3.48Å; Y857-F864 HydrophobicContact CD2-CG 4.05Å; Y857-F864 AromaticContact CD2-CZ 3.41Å; Y857-F864 HydrophobicContact CD2-CZ 3.41Å; Y857-F864 VanDerWaalsContact CD2-CZ 3.41Å; Y857-F864 HydrophobicContact CE2-CD2 4.41Å; Y857-F864 AromaticContact CE2-CE2 3.92Å; Y857-F864 HydrophobicContact CE2-CE2 3.92Å; Y857-F864 HydrophobicContact CE2-CZ 4.11Å; Y857-F864 HydrophobicContact CG-CD1 4.31Å; Y857-F864 AromaticContact CG-CE1 3.88Å; Y857-F864 HydrophobicContact CG-CE1 3.88Å; Y857-F864 HydrophobicContact CG-CE2 4.42Å; Y857-F864 AromaticContact CG-CZ 3.92Å; Y857-F864 HydrophobicContact CG-CZ 3.92Å; Y857-L1005 HydrophobicContact CD1-CD1 3.48Å; Y857-L1005 VanDerWaalsContact CD1-CD1 3.48Å; Y857-L1005 HydrophobicContact CD1-CD2 3.79Å; Y857-L1005 HydrophobicContact CD1-CG 4.27Å; Y857-L1005 HydrophobicContact CE1-CD1 4.25Å; Y857-L1005 HydrophobicContact CE1-CD2 3.68Å; Y857-L1005 HydrophobicContact CG-CD1 3.69Å; Y857-L1009 HydrophobicContact CE2-CD1 4.08Å; Y857-D1155 HydrophobicContact CD1-CB 3.94Å; Y857-D1155 PolarHBondContact O-N 2.61Å
858	N	95.7	Very high	93.6	Very high	67 Å²	67	41.1 Å²	41.1	36%	0.358	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	102	169.6	179.7	-34.9	0	0	0	109	S860 T861 N862 R863	N858-S860 VanDerWaalsContact C-N 3.26Å; N858-S860 PolarHBondContact O-N 3.36Å; N858-S860 WeakPolarHBondContact OD1-CB 3.33Å; N858-S860 PolarHBondContact OD1-N 2.91Å; N858-S860 VanDerWaalsContact OD1-N 3.14Å; N858-T861 PolarHBondContact O-N 3.36Å; N858-T861 VanDerWaalsContact O-N 3.14Å; N858-T861 PolarHBondContact O-OG1 3.07Å; N858-T861 PolarHBondContact OD1-N 3.32Å; N858-N862 PolarHBondContact O-N 2.99Å; N858-R863 PolarHBondContact N-O 2.98Å; N858-R863 PolarHBondContact O-N 3.18Å
859	G	91.9	Very high	92.3	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.4	-175.6	0	0	0	0	0	114	T861 D1155	G859-T861 VanDerWaalsContact C-N 3.33Å; G859-T861 PolarHBondContact O-N 3.33Å; G859-D1155 PolarHBondContact N-OD2 3.22Å
860	S	92	Very high	91.3	Very high	121 Å²	121	45.4 Å²	45.4	85%	0.846	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.3	176.3	-60.6	0	0	0	0	112.7	N858	N858-S860 VanDerWaalsContact C-N 3.26Å; N858-S860 PolarHBondContact O-N 3.36Å; N858-S860 WeakPolarHBondContact OD1-CB 3.33Å; N858-S860 PolarHBondContact OD1-N 2.91Å; N858-S860 VanDerWaalsContact OD1-N 3.14Å
861	T	93.6	Very high	90.2	Very high	78 Å²	78	46.9 Å²	46.9	48%	0.479	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.7	179.8	63.9	0	0	0	0	113.6	N858 G859 R863	N858-T861 PolarHBondContact O-N 3.36Å; N858-T861 VanDerWaalsContact O-N 3.14Å; N858-T861 PolarHBondContact O-OG1 3.07Å; N858-T861 PolarHBondContact OD1-N 3.32Å; G859-T861 VanDerWaalsContact C-N 3.33Å; G859-T861 PolarHBondContact O-N 3.33Å; T861-R863 VanDerWaalsContact C-N 3.27Å; T861-R863 PolarHBondContact O-N 3.38Å
862	N	93.9	Very high	89.2	Confident	48 Å²	48	48.5 Å²	48.5	26%	0.257	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	46	-169.4	-166.9	11.3	0	0	0	112.1	Y857 N858 P911 L1009	Y857-N862 PolarHBondContact OH-OD1 3Å; Y857-N862 VanDerWaalsContact OH-OD1 3.09Å; N858-N862 PolarHBondContact O-N 2.99Å; N862-P911 WeakPolarHBondContact O-CD 3.39Å; N862-L1009 WeakPolarHBondContact OD1-CD2 3.34Å
863	R	96.1	Very high	88.2	Confident	118 Å²	118	53.6 Å²	53.6	45%	0.445	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.9	-179.7	-67.9	179.3	-179.8	-167.8	-1.3	111	N858 T861 F908 L909	N858-R863 PolarHBondContact N-O 2.98Å; N858-R863 PolarHBondContact O-N 3.18Å; T861-R863 VanDerWaalsContact C-N 3.27Å; T861-R863 PolarHBondContact O-N 3.38Å; R863-F908 HydrophobicContact CB-CD2 4.18Å; R863-F908 HydrophobicContact CG-CD2 3.69Å; R863-F908 HydrophobicContact CG-CE2 4.13Å; R863-L909 CarbonylContact C-O 3.5Å; R863-L909 WeakPolarHBondContact CA-O 3.38Å
864	F	96.9	Very high	87.4	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.9	167.9	-62.6	-100.2	0	0	0	110	F851 Y855 C856 Y857 F908 L909 L1005 L1009	F851-F864 HydrophobicContact CE1-CE1 4.4Å; F851-F864 HydrophobicContact CE2-CB 4.08Å; F851-F864 AromaticContact CE2-CD1 3.77Å; F851-F864 HydrophobicContact CE2-CD1 3.77Å; F851-F864 AromaticContact CE2-CD2 3.97Å; F851-F864 HydrophobicContact CE2-CD2 3.97Å; F851-F864 HydrophobicContact CE2-CE1 4.13Å; F851-F864 HydrophobicContact CE2-CE2 4.32Å; F851-F864 AromaticContact CE2-CG 3.68Å; F851-F864 HydrophobicContact CE2-CG 3.68Å; F851-F864 HydrophobicContact CE2-CZ 4.41Å; F851-F864 AromaticContact CZ-CD1 3.68Å; F851-F864 HydrophobicContact CZ-CD1 3.68Å; F851-F864 AromaticContact CZ-CD2 3.98Å; F851-F864 HydrophobicContact CZ-CD2 3.98Å; F851-F864 AromaticContact CZ-CE1 3.53Å; F851-F864 HydrophobicContact CZ-CE1 3.53Å; F851-F864 AromaticContact CZ-CE2 3.86Å; F851-F864 HydrophobicContact CZ-CE2 3.86Å; F851-F864 AromaticContact CZ-CG 3.9Å; F851-F864 HydrophobicContact CZ-CG 3.9Å; F851-F864 AromaticContact CZ-CZ 3.65Å; F851-F864 HydrophobicContact CZ-CZ 3.65Å; Y855-F864 HydrophobicContact CD1-CB 3.75Å; Y855-F864 HydrophobicContact CG-CB 4.38Å; C856-F864 VanDerWaalsContact O-CA 3.26Å; C856-F864 WeakPolarHBondContact O-CA 3.41Å; Y857-F864 VanDerWaalsContact CB-CE1 3.47Å; Y857-F864 HydrophobicContact CD2-CD1 4Å; Y857-F864 AromaticContact CD2-CD2 3.81Å; Y857-F864 HydrophobicContact CD2-CD2 3.81Å; Y857-F864 AromaticContact CD2-CE1 3.71Å; Y857-F864 HydrophobicContact CD2-CE1 3.71Å; Y857-F864 AromaticContact CD2-CE2 3.48Å; Y857-F864 HydrophobicContact CD2-CE2 3.48Å; Y857-F864 VanDerWaalsContact CD2-CE2 3.48Å; Y857-F864 HydrophobicContact CD2-CG 4.05Å; Y857-F864 AromaticContact CD2-CZ 3.41Å; Y857-F864 HydrophobicContact CD2-CZ 3.41Å; Y857-F864 VanDerWaalsContact CD2-CZ 3.41Å; Y857-F864 HydrophobicContact CE2-CD2 4.41Å; Y857-F864 AromaticContact CE2-CE2 3.92Å; Y857-F864 HydrophobicContact CE2-CE2 3.92Å; Y857-F864 HydrophobicContact CE2-CZ 4.11Å; Y857-F864 HydrophobicContact CG-CD1 4.31Å; Y857-F864 AromaticContact CG-CE1 3.88Å; Y857-F864 HydrophobicContact CG-CE1 3.88Å; Y857-F864 HydrophobicContact CG-CE2 4.42Å; Y857-F864 AromaticContact CG-CZ 3.92Å; Y857-F864 HydrophobicContact CG-CZ 3.92Å; F864-F908 CarbonylContact O-C 3.59Å; F864-F908 WeakPolarHBondContact O-CA 3.48Å; F864-F908 WeakPolarHBondContact O-CB 3.38Å; F864-L909 HydrophobicContact CB-CB 4.21Å; F864-L909 HydrophobicContact CD2-CD2 3.91Å; F864-L909 HydrophobicContact CE2-CD2 4.4Å; F864-L909 PolarHBondContact N-O 3.18Å; F864-L909 PolarHBondContact O-N 3.07Å; F864-L1005 HydrophobicContact CE1-CD1 4.37Å; F864-L1005 HydrophobicContact CZ-CB 3.95Å; F864-L1005 HydrophobicContact CZ-CD1 4.41Å; F864-L1009 HydrophobicContact CE2-CD1 3.54Å; F864-L1009 HydrophobicContact CZ-CD1 3.99Å
865	V	95.2	Very high	86.7	Confident	68 Å²	68	65.9 Å²	65.9	41%	0.412	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.4	174	-65.4	0	0	0	0	109.6	Y855 C856 F908	Y855-V865 CarbonylContact C-O 3.59Å; Y855-V865 WeakPolarHBondContact CA-O 3.34Å; C856-V865 HydrophobicContact CB-CG2 4.32Å; C856-V865 PolarHBondContact N-O 3.1Å; C856-V865 PolarHBondContact O-N 2.92Å; V865-F908 HydrophobicContact CG1-CB 4.47Å
866	R	92.6	Very high	86.1	Confident	90 Å²	90	74.1 Å²	74.1	34%	0.34	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147	179.3	-71.4	-175.2	175	-79.6	-0.2	111.4	D791 D850 N854 Y855	D791-R866 IonicContact OD2-CZ 3.69Å; D791-R866 IonicContact OD2-NH2 3.68Å; D791-R866 PolarHBondContact OD2-NH2 3.44Å; D850-R866 IonicContact OD1-CZ 3.64Å; D850-R866 IonicContact OD1-NH1 3.49Å; D850-R866 PolarHBondContact OD1-NH1 3.22Å; D850-R866 IonicContact OD1-NH2 3.6Å; D850-R866 IonicContact OD2-CZ 3.84Å; D850-R866 IonicContact OD2-NH1 3.81Å; D850-R866 PolarHBondContact OD2-NH1 2.99Å; D850-R866 IonicContact OD2-NH2 3.89Å; D850-R866 PolarHBondContact OD2-NH2 2.92Å; N854-R866 CarbonylContact O-C 3.02Å; N854-R866 WeakPolarHBondContact O-CA 3.45Å; Y855-R866 HydrophobicContact CE1-CG 4.18Å; Y855-R866 HydrophobicContact CE2-CG 4.26Å; Y855-R866 PolarHBondContact OH-NH2 3.07Å
867	T	90	Very high	85.7	Confident	13 Å²	13	77.1 Å²	77.1	8%	0.08	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-68.6	173.7	172.2	-167.9	0	0	0	0	111.2	N854 F871 C1152	N854-T867 HydrophobicContact CB-CG2 4.41Å; N854-T867 WeakPolarHBondContact O-CB 3.44Å; N854-T867 WeakPolarHBondContact O-CG2 3.19Å; N854-T867 PolarHBondContact O-N 2.85Å; T867-F871 HydrophobicContact CG2-CB 4.07Å; T867-C1152 PolarHBondContact OG1-O 3.33Å
868	I	82.3	Confident	85.2	Confident	30 Å²	30	82.8 Å²	82.8	15%	0.154	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-76.8	154.3	179	55	159.9	0	0	0	112.2	P870 F871 S872 F1147 C1152	I868-P870 HydrophobicContact CD1-CG 4.35Å; I868-P870 WeakPolarHBondContact O-CD 3.44Å; I868-P870 VanDerWaalsContact O-N 3.11Å; I868-F871 HydrophobicContact CD1-CD2 4.08Å; I868-F871 HydrophobicContact CD1-CE2 4.42Å; I868-F871 HydrophobicContact CG1-CD2 4.08Å; I868-F871 PolarHBondContact O-N 3.39Å; I868-S872 PolarHBondContact O-N 2.88Å; I868-F1147 HydrophobicContact CD1-CB 3.75Å; I868-F1147 HydrophobicContact CD1-CD1 4.45Å; I868-F1147 HydrophobicContact CD1-CD2 3.43Å; I868-F1147 VanDerWaalsContact CD1-CD2 3.43Å; I868-F1147 HydrophobicContact CD1-CE2 4.12Å; I868-F1147 HydrophobicContact CD1-CG 3.62Å; I868-F1147 HydrophobicContact CG2-CD1 3.97Å; I868-F1147 HydrophobicContact CG2-CE1 4.22Å; I868-F1147 HydrophobicContact CG2-CG 4.21Å; I868-C1152 HydrophobicContact CD1-CB 4.45Å; I868-C1152 WeakPolarHBondContact CD1-SG 3.39Å; I868-C1152 HydrophobicContact CG1-CB 4.41Å
869	L	65.2	Low	84.7	Confident	142 Å²	142	89 Å²	89	74%	0.743	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-46.7	-41.2	-173.1	-167.6	69.4	0	0	0	116.2	F871 S872	L869-F871 PolarHBondContact O-N 2.91Å; L869-S872 PolarHBondContact O-N 3.3Å
870	P	71.6	Confident	84.1	Confident	100 Å²	100	90.1 Å²	90.1	65%	0.649	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-67.1	-19.2	-178.9	-17.8	31	0	0	0	114.6	I868	I868-P870 HydrophobicContact CD1-CG 4.35Å; I868-P870 WeakPolarHBondContact O-CD 3.44Å; I868-P870 VanDerWaalsContact O-N 3.11Å
871	F	70.1	Confident	83.4	Confident	39 Å²	39	87.8 Å²	87.8	17%	0.171	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-111.8	-0.2	-179.1	-68.5	-96.9	0	0	0	112.2	N854 T867 I868 L869 Q873 K990 T991 F1153	N854-F871 PolarHBondContact OD1-O 3.49Å; T867-F871 HydrophobicContact CG2-CB 4.07Å; I868-F871 HydrophobicContact CD1-CD2 4.08Å; I868-F871 HydrophobicContact CD1-CE2 4.42Å; I868-F871 HydrophobicContact CG1-CD2 4.08Å; I868-F871 PolarHBondContact O-N 3.39Å; L869-F871 PolarHBondContact O-N 2.91Å; F871-Q873 PolarHBondContact O-N 3.08Å; F871-K990 HydrophobicContact CZ-CB 4.41Å; F871-T991 HydrophobicContact CE1-CG2 3.92Å; F871-T991 HydrophobicContact CZ-CG2 4.08Å; F871-F1153 HydrophobicContact CD1-CE1 4.12Å; F871-F1153 AromaticContact CD1-CZ 3.99Å; F871-F1153 HydrophobicContact CD1-CZ 3.99Å; F871-F1153 HydrophobicContact CE1-CE1 4.16Å; F871-F1153 AromaticContact CE1-CZ 3.62Å; F871-F1153 HydrophobicContact CE1-CZ 3.62Å; F871-F1153 HydrophobicContact CZ-CZ 4.15Å
872	S	74.1	Confident	82.7	Confident	34 Å²	34	92.1 Å²	92.1	24%	0.238	46%	0.459	C	S	.	.			trans	-78.2	105.9	175.4	-175.8	0	0	0	0	109.2	I868 L869 E874	I868-S872 PolarHBondContact O-N 2.88Å; L869-S872 PolarHBondContact O-N 3.3Å; S872-E874 PolarHBondContact O-N 3.5Å
873	Q	75	Confident	82.4	Confident	109 Å²	109	91.1 Å²	91.1	51%	0.509	46%	0.457	S	S	.	.			trans	-80.2	99.4	172.8	-61.5	-177.1	18.3	0	0	108.5	N854 F871 F875	N854-Q873 PolarHBondContact ND2-O 3.32Å; N854-Q873 PolarHBondContact OD1-N 3.47Å; F871-Q873 PolarHBondContact O-N 3.08Å; Q873-F875 PolarHBondContact O-N 3.48Å
874	E	75.4	Confident	82.2	Confident	168 Å²	168	90.8 Å²	90.8	79%	0.785	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-76	122.9	177	-68.8	-163.6	175.2	0	0	111.2	S872	S872-E874 PolarHBondContact O-N 3.5Å
875	F	79.8	Confident	82.1	Confident	94 Å²	94	92.3 Å²	92.3	41%	0.412	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-102.4	124.7	168.5	-178.5	-98.7	0	0	0	109.3	W845 Q873 R877	W845-F875 HydrophobicContact CZ2-CZ 4.09Å; Q873-F875 PolarHBondContact O-N 3.48Å; F875-R877 HydrophobicContact CD1-CG 4.05Å; F875-R877 HydrophobicContact CE1-CG 4.48Å; F875-R877 PolarHBondContact O-N 3.5Å
876	Q	83.9	Confident	82	Confident	177 Å²	177	89.7 Å²	89.7	83%	0.827	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-71.7	118.1	177.3	-175.7	175.5	-0	0	0	109.7
877	R	87.5	Confident	82.1	Confident	68 Å²	68	86.8 Å²	86.8	26%	0.257	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-96.6	145.8	175.1	-61.9	-177.7	-177.6	83.4	-9.6	110.7	E846 D850 F875	E846-R877 IonicContact OE1-CZ 3.18Å; E846-R877 IonicContact OE1-NE 3.16Å; E846-R877 PolarHBondContact OE1-NE 3Å; E846-R877 IonicContact OE1-NH2 2.66Å; E846-R877 IonicContact OE2-CZ 2.81Å; E846-R877 IonicContact OE2-NE 2.65Å; E846-R877 IonicContact OE2-NH2 3.5Å; E846-R877 PolarHBondContact OE2-NH2 2.94Å; D850-R877 IonicContact OD2-CZ 3.59Å; D850-R877 IonicContact OD2-NH2 2.72Å; D850-R877 PolarHBondContact OD2-NH2 2.87Å; F875-R877 HydrophobicContact CD1-CG 4.05Å; F875-R877 HydrophobicContact CE1-CG 4.48Å; F875-R877 PolarHBondContact O-N 3.5Å
878	D	86.6	Confident	82.4	Confident	142 Å²	142	87.1 Å²	87.1	76%	0.759	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-67	144.5	171.4	-72.9	-29.9	0	0	0	110.3	S789	S789-D878 WeakPolarHBondContact CB-O 3.39Å
879	K	84.1	Confident	83	Confident	197 Å²	197	85.9 Å²	85.9	86%	0.857	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-74.3	146.6	-178.3	-72.9	-175.9	178	179.3	0	111.3
880	P	79.8	Confident	84.4	Confident	56 Å²	56	79.3 Å²	79.3	36%	0.364	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.3	144.9	176.2	22.9	-32.1	0	0	0	111.7	R786 S789	R786-P880 HydrophobicContact CG-CB 4.46Å; S789-P880 WeakPolarHBondContact OG-CB 3.23Å
881	P	77.8	Confident	85.5	Confident	71 Å²	71	76 Å²	76	46%	0.461	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66.3	139.9	176.5	26.7	-33.8	0	0	0	111.7	L782 N785 A883	L782-P881 HydrophobicContact CD2-CB 4.46Å; L782-P881 HydrophobicContact CD2-CG 3.81Å; N785-P881 HydrophobicContact CB-CG 4.37Å; P881-A883 PolarHBondContact O-N 2.9Å
882	N	78.9	Confident	86.7	Confident	170 Å²	170	81.8 Å²	81.8	91%	0.909	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-73.2	126.9	177.2	-167.6	11.1	0	0	0	110.4
883	A	87	Confident	87.6	Confident	27 Å²	27	83.2 Å²	83.2	22%	0.223	42%	0.416	C	S	.	.			trans	-133.2	152.1	-176	0	0	0	0	0	112.4	L782 P881	L782-A883 HydrophobicContact CD1-CB 3.66Å; L782-A883 HydrophobicContact CD2-CB 3.9Å; L782-A883 HydrophobicContact CG-CB 4.41Å; P881-A883 PolarHBondContact O-N 2.9Å
884	Q	92.6	Very high	88.6	Confident	111 Å²	111	78.2 Å²	78.2	52%	0.519	39%	0.393	S	S	.	.			trans	-65.6	146.9	173	-63.5	-165.1	8.1	0	0	111	H886 Y887	Q884-H886 PolarHBondContact O-N 2.92Å; Q884-H886 VanDerWaalsContact O-N 3.09Å; Q884-H886 PolarHBondContact OE1-CE1 3.41Å; Q884-Y887 HydrophobicContact CB-CD2 3.99Å; Q884-Y887 HydrophobicContact CB-CE2 4.17Å; Q884-Y887 PolarHBondContact O-N 3.15Å
885	P	94.3	Very high	89.5	Confident	33 Å²	33	71.8 Å²	71.8	21%	0.214	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.3	-30.1	-173.1	-27.3	34.9	0	0	0	115.4	Y887 L888 G890 K892	P885-Y887 PolarHBondContact O-N 2.89Å; P885-L888 CarbonylContact O-C 3.56Å; P885-L888 PolarHBondContact O-N 2.88Å; P885-G890 CarbonylContact C-O 3.33Å; P885-G890 CarbonylContact O-C 3.28Å; P885-G890 WeakPolarHBondContact O-CA 3.21Å; P885-G890 PolarHBondContact O-N 3.45Å; P885-K892 HydrophobicContact CG-CG 3.81Å
886	H	92.8	Very high	90.2	Very high	13 Å²	13	73 Å²	73	6%	0.06	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-70.3	-15.7	-179.9	61.7	-120.5	0	0	0	114	D708 F711 A712 K715 Q884 L888 G890	D708-H886 IonicContact OD1-CE1 3.55Å; D708-H886 PolarHBondContact OD1-CE1 2.93Å; D708-H886 IonicContact OD1-NE2 3.13Å; F711-H886 WeakPolarHBondContact CE1-O 3.29Å; A712-H886 HydrophobicContact CB-CB 3.7Å; K715-H886 VanDerWaalsContact CG-O 3.31Å; K715-H886 WeakPolarHBondContact CG-O 3.33Å; K715-H886 PolarHBondContact NZ-O 3.49Å; Q884-H886 PolarHBondContact O-N 2.92Å; Q884-H886 VanDerWaalsContact O-N 3.09Å; Q884-H886 PolarHBondContact OE1-CE1 3.41Å; H886-L888 VanDerWaalsContact C-N 3.34Å; H886-G890 PolarHBondContact N-O 2.92Å
887	Y	96.3	Very high	90.7	Very high	29 Å²	29	65 Å²	65	11%	0.114	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-82.9	-14.8	170	-61.8	-65.9	0	0	0	112.8	F711 K715 A775 K778 S779 L782 Q884 P885	F711-Y887 HydrophobicContact CE1-CD1 4.16Å; F711-Y887 HydrophobicContact CE1-CE1 4.39Å; K715-Y887 PolarHBondContact NZ-O 3.5Å; A775-Y887 HydrophobicContact CB-CE1 4.13Å; K778-Y887 HydrophobicContact CB-CD1 4.26Å; K778-Y887 HydrophobicContact CB-CE1 4.21Å; K778-Y887 HydrophobicContact CD-CD1 4.08Å; K778-Y887 HydrophobicContact CD-CE1 3.63Å; K778-Y887 HydrophobicContact CD-CE2 4.27Å; K778-Y887 HydrophobicContact CG-CD1 4Å; K778-Y887 HydrophobicContact CG-CE1 4.02Å; S779-Y887 WeakPolarHBondContact CB-O 3.43Å; S779-Y887 PolarHBondContact OG-O 3.06Å; L782-Y887 VanDerWaalsContact CD1-CB 3.47Å; L782-Y887 HydrophobicContact CD1-CD2 4.36Å; L782-Y887 HydrophobicContact CD1-CG 3.91Å; Q884-Y887 HydrophobicContact CB-CD2 3.99Å; Q884-Y887 HydrophobicContact CB-CE2 4.17Å; Q884-Y887 PolarHBondContact O-N 3.15Å; P885-Y887 PolarHBondContact O-N 2.89Å
888	L	95.4	Very high	91.1	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.099	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-119.6	176.6	-60.2	177	0	0	0	110	K715 L801 P885 H886	K715-L888 WeakPolarHBondContact CD-O 3.24Å; K715-L888 PolarHBondContact NZ-O 3.38Å; L801-L888 HydrophobicContact CD2-CD2 4.06Å; P885-L888 CarbonylContact O-C 3.56Å; P885-L888 PolarHBondContact O-N 2.88Å; H886-L888 VanDerWaalsContact C-N 3.34Å
889	Y	95.4	Very high	91.4	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.9	-177.4	-60.3	-82.3	0	0	0	114.2	E797 L801 V804 L894 N895 Y898 F902	E797-Y889 WeakPolarHBondContact CG-OH 3.32Å; E797-Y889 PolarHBondContact O-OH 3.38Å; L801-Y889 HydrophobicContact CB-CE1 4.07Å; L801-Y889 HydrophobicContact CD1-CD1 4.01Å; L801-Y889 HydrophobicContact CD1-CD2 4.41Å; L801-Y889 HydrophobicContact CD1-CE1 3.91Å; L801-Y889 HydrophobicContact CD1-CE2 4.33Å; L801-Y889 HydrophobicContact CD1-CG 4.27Å; V804-Y889 HydrophobicContact CG2-CD1 4.15Å; V804-Y889 HydrophobicContact CG2-CE1 4.48Å; Y889-L894 WeakPolarHBondContact O-CD1 3.3Å; Y889-N895 VanDerWaalsContact CB-OD1 3.27Å; Y889-N895 WeakPolarHBondContact CB-OD1 3.34Å; Y889-N895 PolarHBondContact N-OD1 3.46Å; Y889-Y898 HydrophobicContact CD1-CD1 4.05Å; Y889-Y898 AromaticContact CD1-CD2 3.32Å; Y889-Y898 HydrophobicContact CD1-CD2 3.32Å; Y889-Y898 HydrophobicContact CD1-CE1 4.47Å; Y889-Y898 AromaticContact CD1-CE2 3.83Å; Y889-Y898 HydrophobicContact CD1-CE2 3.83Å; Y889-Y898 AromaticContact CD1-CG 3.44Å; Y889-Y898 HydrophobicContact CD1-CG 3.44Å; Y889-Y898 VanDerWaalsContact CD1-CG 3.44Å; Y889-Y898 HydrophobicContact CD2-CD2 4.42Å; Y889-Y898 HydrophobicContact CD2-CG 4.44Å; Y889-Y898 AromaticContact CE1-CD1 3.88Å; Y889-Y898 HydrophobicContact CE1-CD1 3.88Å; Y889-Y898 AromaticContact CE1-CD2 3.97Å; Y889-Y898 HydrophobicContact CE1-CD2 3.97Å; Y889-Y898 HydrophobicContact CE1-CE1 4.49Å; Y889-Y898 AromaticContact CE1-CG 3.57Å; Y889-Y898 HydrophobicContact CE1-CG 3.57Å; Y889-Y898 AromaticContact CG-CD2 3.58Å; Y889-Y898 HydrophobicContact CG-CD2 3.58Å; Y889-Y898 HydrophobicContact CG-CE2 4.34Å; Y889-Y898 AromaticContact CG-CG 3.91Å; Y889-Y898 HydrophobicContact CG-CG 3.91Å; Y889-F902 HydrophobicContact CE1-CE2 4.32Å
890	G	94.3	Very high	91.8	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	115.1	-53.7	173.9	0	0	0	0	0	113.9	I716 P885 H886	I716-G890 VanDerWaalsContact CG1-C 3.47Å; I716-G890 WeakPolarHBondContact CG1-O 3.45Å; P885-G890 CarbonylContact C-O 3.33Å; P885-G890 CarbonylContact O-C 3.28Å; P885-G890 WeakPolarHBondContact O-CA 3.21Å; P885-G890 PolarHBondContact O-N 3.45Å; H886-G890 PolarHBondContact N-O 2.92Å
891	S	95.2	Very high	92.5	Very high	29 Å²	29	52 Å²	52	20%	0.203	29%	0.291	C	S	.	.	S	Bend	trans	-136.1	163.5	-176.2	76.7	0	0	0	0	111.8	T893 L894 N895	S891-T893 VanDerWaalsContact C-N 3.28Å; S891-T893 PolarHBondContact O-N 3.25Å; S891-L894 PolarHBondContact O-N 3.3Å; S891-L894 WeakPolarHBondContact OG-CG 3.47Å; S891-L894 PolarHBondContact OG-N 2.98Å; S891-N895 VanDerWaalsContact O-CG 3.31Å; S891-N895 PolarHBondContact O-N 3.44Å; S891-N895 PolarHBondContact O-OD1 2.99Å
892	K	94.8	Very high	93.3	Very high	162 Å²	162	49.9 Å²	49.9	70%	0.704	27%	0.274	S	S	*	.	H	α-helix	trans	-57.5	-41.9	177.3	-66.4	-176.7	179.5	179	0	111.8	P885 N895 L896	P885-K892 HydrophobicContact CG-CG 3.81Å; K892-N895 PolarHBondContact O-N 2.71Å; K892-L896 WeakPolarHBondContact O-CG 3.37Å; K892-L896 PolarHBondContact O-N 2.77Å; K892-L896 VanDerWaalsContact O-N 3.1Å
893	T	93.6	Very high	94	Very high	64 Å²	64	45.3 Å²	45.3	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-42	178.6	-45.3	0	0	0	0	112	I738 S891 L896 A897	I738-T893 HydrophobicContact CG1-CG2 4.41Å; I738-T893 HydrophobicContact CG2-CG2 4.07Å; S891-T893 VanDerWaalsContact C-N 3.28Å; S891-T893 PolarHBondContact O-N 3.25Å; T893-L896 PolarHBondContact O-N 3.2Å; T893-A897 PolarHBondContact O-N 3.37Å
894	L	95.1	Very high	94.3	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-42	176.9	-70	173.6	0	0	0	111.5	I716 L723 I738 Y889 S891 L896 A897 Y898	I716-L894 HydrophobicContact CG2-CD1 4.06Å; L723-L894 HydrophobicContact CD2-CD2 3.99Å; I738-L894 HydrophobicContact CG2-CD2 4.39Å; Y889-L894 WeakPolarHBondContact O-CD1 3.3Å; S891-L894 PolarHBondContact O-N 3.3Å; S891-L894 WeakPolarHBondContact OG-CG 3.47Å; S891-L894 PolarHBondContact OG-N 2.98Å; L894-L896 VanDerWaalsContact C-N 3.27Å; L894-L896 PolarHBondContact O-N 3.11Å; L894-A897 PolarHBondContact O-N 3.28Å; L894-A897 VanDerWaalsContact O-N 3.16Å; L894-Y898 HydrophobicContact CB-CD2 4.45Å; L894-Y898 HydrophobicContact CD2-CE2 4.5Å; L894-Y898 VanDerWaalsContact O-CD2 3.3Å; L894-Y898 WeakPolarHBondContact O-CD2 3.41Å; L894-Y898 PolarHBondContact O-N 3.49Å
895	N	94.9	Very high	94.4	Very high	32 Å²	32	46.6 Å²	46.6	17%	0.171	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-44.7	175.3	-73.1	-4.3	0	0	0	111.3	Y889 S891 K892 S899	Y889-N895 VanDerWaalsContact CB-OD1 3.27Å; Y889-N895 WeakPolarHBondContact CB-OD1 3.34Å; Y889-N895 PolarHBondContact N-OD1 3.46Å; S891-N895 VanDerWaalsContact O-CG 3.31Å; S891-N895 PolarHBondContact O-N 3.44Å; S891-N895 PolarHBondContact O-OD1 2.99Å; K892-N895 PolarHBondContact O-N 2.71Å; N895-S899 WeakPolarHBondContact O-CB 3.45Å; N895-S899 PolarHBondContact O-N 3.16Å
896	L	93.8	Very high	94.4	Very high	119 Å²	119	47.8 Å²	47.8	62%	0.623	26%	0.258	S	S	*	.	H	α-helix	trans	-65.3	-42.6	176.9	-71.2	172.5	0	0	0	112.6	K892 T893 L894 S900	K892-L896 WeakPolarHBondContact O-CG 3.37Å; K892-L896 PolarHBondContact O-N 2.77Å; K892-L896 VanDerWaalsContact O-N 3.1Å; T893-L896 PolarHBondContact O-N 3.2Å; L894-L896 VanDerWaalsContact C-N 3.27Å; L894-L896 PolarHBondContact O-N 3.11Å; L896-S900 WeakPolarHBondContact O-CB 3.38Å; L896-S900 PolarHBondContact O-N 3.42Å; L896-S900 PolarHBondContact O-OG 3.03Å
897	A	94.6	Very high	94.4	Very high	11 Å²	11	53.5 Å²	53.5	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-47	179.9	0	0	0	0	0	112.2	L723 I738 T893 L894 S900 T901	L723-A897 HydrophobicContact CD1-CB 4.17Å; L723-A897 HydrophobicContact CD2-CB 4.33Å; I738-A897 HydrophobicContact CD1-CB 3.93Å; T893-A897 PolarHBondContact O-N 3.37Å; L894-A897 PolarHBondContact O-N 3.28Å; L894-A897 VanDerWaalsContact O-N 3.16Å; A897-S900 PolarHBondContact O-N 3.39Å; A897-T901 PolarHBondContact O-N 3.4Å; A897-T901 PolarHBondContact O-OG1 3.02Å
898	Y	95.5	Very high	94.4	Very high	17 Å²	17	53.2 Å²	53.2	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-44.3	177.3	-80.6	-73.6	0	0	0	111.9	G719 L722 L723 Y889 L894 S900 T901 F902	G719-Y898 WeakPolarHBondContact O-CE2 3.45Å; G719-Y898 PolarHBondContact O-OH 2.98Å; L722-Y898 VanDerWaalsContact C-OH 3.27Å; L723-Y898 WeakPolarHBondContact CA-OH 3.5Å; L723-Y898 HydrophobicContact CD1-CD2 4.37Å; L723-Y898 HydrophobicContact CD1-CE1 4.19Å; L723-Y898 HydrophobicContact CD1-CE2 4.04Å; L723-Y898 PolarHBondContact N-OH 3.19Å; L723-Y898 VanDerWaalsContact N-OH 3.07Å; Y889-Y898 HydrophobicContact CD1-CD1 4.05Å; Y889-Y898 AromaticContact CD1-CD2 3.32Å; Y889-Y898 HydrophobicContact CD1-CD2 3.32Å; Y889-Y898 HydrophobicContact CD1-CE1 4.47Å; Y889-Y898 AromaticContact CD1-CE2 3.83Å; Y889-Y898 HydrophobicContact CD1-CE2 3.83Å; Y889-Y898 AromaticContact CD1-CG 3.44Å; Y889-Y898 HydrophobicContact CD1-CG 3.44Å; Y889-Y898 VanDerWaalsContact CD1-CG 3.44Å; Y889-Y898 HydrophobicContact CD2-CD2 4.42Å; Y889-Y898 HydrophobicContact CD2-CG 4.44Å; Y889-Y898 AromaticContact CE1-CD1 3.88Å; Y889-Y898 HydrophobicContact CE1-CD1 3.88Å; Y889-Y898 AromaticContact CE1-CD2 3.97Å; Y889-Y898 HydrophobicContact CE1-CD2 3.97Å; Y889-Y898 HydrophobicContact CE1-CE1 4.49Å; Y889-Y898 AromaticContact CE1-CG 3.57Å; Y889-Y898 HydrophobicContact CE1-CG 3.57Å; Y889-Y898 AromaticContact CG-CD2 3.58Å; Y889-Y898 HydrophobicContact CG-CD2 3.58Å; Y889-Y898 HydrophobicContact CG-CE2 4.34Å; Y889-Y898 AromaticContact CG-CG 3.91Å; Y889-Y898 HydrophobicContact CG-CG 3.91Å; L894-Y898 HydrophobicContact CB-CD2 4.45Å; L894-Y898 HydrophobicContact CD2-CE2 4.5Å; L894-Y898 VanDerWaalsContact O-CD2 3.3Å; L894-Y898 WeakPolarHBondContact O-CD2 3.41Å; L894-Y898 PolarHBondContact O-N 3.49Å; Y898-S900 VanDerWaalsContact C-N 3.3Å; Y898-S900 PolarHBondContact O-N 2.94Å; Y898-T901 WeakPolarHBondContact O-CB 3.48Å; Y898-T901 PolarHBondContact O-N 3.27Å; Y898-T901 VanDerWaalsContact O-N 3.09Å; Y898-F902 AromaticContact CD1-CE2 3.69Å; Y898-F902 HydrophobicContact CD1-CE2 3.69Å; Y898-F902 HydrophobicContact CD1-CZ 4.27Å; Y898-F902 HydrophobicContact CG-CE2 4.38Å; Y898-F902 WeakPolarHBondContact O-CD2 3.27Å; Y898-F902 PolarHBondContact O-N 3.49Å
899	S	93.4	Very high	94.5	Very high	41 Å²	41	52.3 Å²	52.3	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-42.7	175.8	178.7	0	0	0	0	111.8	N895 T901 F902 T903	N895-S899 WeakPolarHBondContact O-CB 3.45Å; N895-S899 PolarHBondContact O-N 3.16Å; S899-T901 VanDerWaalsContact C-N 3.32Å; S899-T901 PolarHBondContact O-N 3.35Å; S899-F902 PolarHBondContact O-N 3.06Å; S899-T903 WeakPolarHBondContact O-CB 3.31Å; S899-T903 PolarHBondContact O-N 2.98Å; S899-T903 PolarHBondContact O-OG1 3.15Å
900	S	93.1	Very high	94.4	Very high	81 Å²	81	52.2 Å²	52.2	57%	0.566	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-37.7	176	-57.3	0	0	0	0	112.4	L896 A897 Y898	L896-S900 WeakPolarHBondContact O-CB 3.38Å; L896-S900 PolarHBondContact O-N 3.42Å; L896-S900 PolarHBondContact O-OG 3.03Å; A897-S900 PolarHBondContact O-N 3.39Å; Y898-S900 VanDerWaalsContact C-N 3.3Å; Y898-S900 PolarHBondContact O-N 2.94Å
901	T	94.2	Very high	94.3	Very high	51 Å²	51	54.5 Å²	54.5	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-48.3	177.1	-60.2	0	0	0	0	110.7	A897 Y898 S899 T903 T904	A897-T901 PolarHBondContact O-N 3.4Å; A897-T901 PolarHBondContact O-OG1 3.02Å; Y898-T901 WeakPolarHBondContact O-CB 3.48Å; Y898-T901 PolarHBondContact O-N 3.27Å; Y898-T901 VanDerWaalsContact O-N 3.09Å; S899-T901 VanDerWaalsContact C-N 3.32Å; S899-T901 PolarHBondContact O-N 3.35Å; T901-T903 VanDerWaalsContact C-N 3.34Å; T901-T903 PolarHBondContact O-N 3.02Å; T901-T904 PolarHBondContact O-N 2.88Å; T901-T904 PolarHBondContact O-OG1 3.29Å
902	F	94.9	Very high	94.2	Very high	26 Å²	26	55.2 Å²	55.2	11%	0.114	30%	0.301	C	S	.	.	H	α-helix	trans	-76.7	-18.6	-177.6	-64.5	-57.9	0	0	0	114	M796 E797 Y889 Y898 S899 T904 Y905	M796-F902 HydrophobicContact CB-CD1 4.36Å; M796-F902 WeakPolarHBondContact O-CE1 3.45Å; E797-F902 HydrophobicContact CB-CB 3.99Å; E797-F902 HydrophobicContact CB-CD2 4.12Å; E797-F902 HydrophobicContact CB-CG 4.07Å; E797-F902 HydrophobicContact CG-CB 4.29Å; E797-F902 HydrophobicContact CG-CD2 3.9Å; E797-F902 HydrophobicContact CG-CG 4.31Å; Y889-F902 HydrophobicContact CE1-CE2 4.32Å; Y898-F902 AromaticContact CD1-CE2 3.69Å; Y898-F902 HydrophobicContact CD1-CE2 3.69Å; Y898-F902 HydrophobicContact CD1-CZ 4.27Å; Y898-F902 HydrophobicContact CG-CE2 4.38Å; Y898-F902 WeakPolarHBondContact O-CD2 3.27Å; Y898-F902 PolarHBondContact O-N 3.49Å; S899-F902 PolarHBondContact O-N 3.06Å; F902-T904 PolarHBondContact O-N 2.69Å; F902-T904 VanDerWaalsContact O-N 3.15Å; F902-Y905 HydrophobicContact CD1-CD2 4.32Å; F902-Y905 HydrophobicContact CD1-CE2 4.48Å; F902-Y905 WeakPolarHBondContact O-CB 3.2Å; F902-Y905 PolarHBondContact O-N 3.1Å
903	T	93.4	Very high	94.3	Very high	74 Å²	74	47.5 Å²	47.5	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-30.1	173	-64.5	0	0	0	0	111.9	S899 T901 Y905 R906	S899-T903 WeakPolarHBondContact O-CB 3.31Å; S899-T903 PolarHBondContact O-N 2.98Å; S899-T903 PolarHBondContact O-OG1 3.15Å; T901-T903 VanDerWaalsContact C-N 3.34Å; T901-T903 PolarHBondContact O-N 3.02Å; T903-Y905 PolarHBondContact O-N 2.82Å; T903-Y905 VanDerWaalsContact O-N 3.12Å; T903-R906 WeakPolarHBondContact O-CB 3.33Å; T903-R906 PolarHBondContact O-N 3.46Å; T903-R906 VanDerWaalsContact O-N 3.1Å
904	T	93.4	Very high	94.3	Very high	91 Å²	91	44.6 Å²	44.6	56%	0.558	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.9	177.2	64.7	0	0	0	0	114	T901 F902	T901-T904 PolarHBondContact O-N 2.88Å; T901-T904 PolarHBondContact O-OG1 3.29Å; F902-T904 PolarHBondContact O-N 2.69Å; F902-T904 VanDerWaalsContact O-N 3.15Å
905	Y	94.7	Very high	94.2	Very high	74 Å²	74	48.4 Å²	48.4	29%	0.29	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-6.4	178.6	-64.8	-88	0	0	0	113.4	M796 F902 T903 N907 F908 P912 H913	M796-Y905 HydrophobicContact CB-CG 4.24Å; M796-Y905 HydrophobicContact CE-CD1 4.25Å; M796-Y905 HydrophobicContact CE-CE1 4.07Å; M796-Y905 HydrophobicContact CG-CD1 3.99Å; M796-Y905 HydrophobicContact CG-CG 4.02Å; F902-Y905 HydrophobicContact CD1-CD2 4.32Å; F902-Y905 HydrophobicContact CD1-CE2 4.48Å; F902-Y905 WeakPolarHBondContact O-CB 3.2Å; F902-Y905 PolarHBondContact O-N 3.1Å; T903-Y905 PolarHBondContact O-N 2.82Å; T903-Y905 VanDerWaalsContact O-N 3.12Å; Y905-N907 PolarHBondContact O-N 3.03Å; Y905-F908 HydrophobicContact CD1-CZ 4.44Å; Y905-F908 VanDerWaalsContact O-O 3.12Å; Y905-P912 HydrophobicContact CD1-CG 4.32Å; Y905-P912 HydrophobicContact CE1-CB 4.17Å; Y905-P912 HydrophobicContact CE1-CG 4.2Å; Y905-H913 PolarHBondContact O-NE2 2.72Å; Y905-H913 VanDerWaalsContact O-NE2 3.09Å
906	R	93.4	Very high	94.2	Very high	58 Å²	58	46.9 Å²	46.9	22%	0.219	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.9	-172.3	-58.5	-58.5	-69.3	-121.1	-0	115.3	E790 D791 T793 E797 T903	E790-R906 IonicContact OE2-CZ 3.38Å; E790-R906 IonicContact OE2-NH1 3.75Å; E790-R906 PolarHBondContact OE2-NH1 3.5Å; E790-R906 IonicContact OE2-NH2 2.9Å; E790-R906 PolarHBondContact OE2-NH2 2.87Å; D791-R906 IonicContact OD1-CZ 3.73Å; D791-R906 IonicContact OD1-NE 2.87Å; D791-R906 IonicContact OD1-NH2 2.75Å; T793-R906 WeakPolarHBondContact OG1-CA 3.39Å; T793-R906 WeakPolarHBondContact OG1-CD 3.48Å; T793-R906 PolarHBondContact OG1-NE 3.33Å; T793-R906 VanDerWaalsContact OG1-NE 3.09Å; E797-R906 IonicContact OE2-NH1 2.97Å; T903-R906 WeakPolarHBondContact O-CB 3.33Å; T903-R906 PolarHBondContact O-N 3.46Å; T903-R906 VanDerWaalsContact O-N 3.1Å
907	N	93.5	Very high	94.3	Very high	132 Å²	132	41.3 Å²	41.3	71%	0.706	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0	-169.9	-62	-28.9	0	0	0	113.7	Y905	Y905-N907 PolarHBondContact O-N 3.03Å
908	F	95.9	Very high	94.2	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.105	23%	0.225	C	C	.	.			trans	-154.7	162.1	178.6	76.7	-79.8	0	0	0	111.2	R863 F864 V865 Y905 P912 H913	R863-F908 HydrophobicContact CB-CD2 4.18Å; R863-F908 HydrophobicContact CG-CD2 3.69Å; R863-F908 HydrophobicContact CG-CE2 4.13Å; F864-F908 CarbonylContact O-C 3.59Å; F864-F908 WeakPolarHBondContact O-CA 3.48Å; F864-F908 WeakPolarHBondContact O-CB 3.38Å; V865-F908 HydrophobicContact CG1-CB 4.47Å; Y905-F908 HydrophobicContact CD1-CZ 4.44Å; Y905-F908 VanDerWaalsContact O-O 3.12Å; F908-P912 HydrophobicContact CE2-CG 4.29Å; F908-P912 HydrophobicContact CZ-CG 4.28Å; F908-H913 AromaticContact CE2-CE1 3.68Å; F908-H913 AromaticContact CZ-CE1 3.79Å; F908-H913 PolarHBondContact O-CE1 3.42Å; F908-H913 PolarHBondContact O-NE2 3.18Å
909	L	96.5	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-117.2	142.6	164.5	-172.2	153	0	0	0	109.2	L792 F851 Y855 R863 F864 H913 I914 M917	L792-L909 HydrophobicContact CB-CD1 4.49Å; L792-L909 HydrophobicContact CD2-CD1 3.54Å; L792-L909 HydrophobicContact CG-CD1 3.95Å; F851-L909 HydrophobicContact CD2-CD1 3.8Å; F851-L909 HydrophobicContact CE2-CB 4.39Å; F851-L909 HydrophobicContact CE2-CD1 3.83Å; F851-L909 HydrophobicContact CE2-CD2 3.88Å; F851-L909 HydrophobicContact CE2-CG 4.26Å; F851-L909 HydrophobicContact CZ-CD2 4.36Å; Y855-L909 HydrophobicContact CE1-CB 4.23Å; R863-L909 CarbonylContact C-O 3.5Å; R863-L909 WeakPolarHBondContact CA-O 3.38Å; F864-L909 HydrophobicContact CB-CB 4.21Å; F864-L909 HydrophobicContact CD2-CD2 3.91Å; F864-L909 HydrophobicContact CE2-CD2 4.4Å; F864-L909 PolarHBondContact N-O 3.18Å; F864-L909 PolarHBondContact O-N 3.07Å; L909-H913 HydrophobicContact CG-CB 4.07Å; L909-I914 HydrophobicContact CD2-CD1 4.1Å; L909-I914 HydrophobicContact CD2-CG1 3.96Å; L909-M917 HydrophobicContact CD1-CE 4.09Å
910	G	94.4	Very high	94	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-174.7	-163	-176.5	0	0	0	0	0	112.3	P912 H913 I914	G910-P912 VanDerWaalsContact C-CD 3.43Å; G910-H913 PolarHBondContact N-ND1 3.37Å; G910-H913 VanDerWaalsContact N-ND1 3.16Å; G910-H913 WeakPolarHBondContact O-CB 3.43Å; G910-H913 PolarHBondContact O-N 3.25Å; G910-I914 PolarHBondContact O-N 2.78Å
911	P	92.1	Very high	94	Very high	53 Å²	53	41.6 Å²	41.6	34%	0.344	21%	0.212	S	C	.	.	H	α-helix	trans	-47.7	-44.2	-175.5	-29.6	34.5	0	0	0	116.6	N862 H913 I914 K915	N862-P911 WeakPolarHBondContact O-CD 3.39Å; P911-H913 VanDerWaalsContact C-N 3.31Å; P911-H913 PolarHBondContact O-N 3.43Å; P911-I914 PolarHBondContact O-N 2.97Å; P911-K915 WeakPolarHBondContact O-CB 3.41Å; P911-K915 PolarHBondContact O-N 3.1Å
912	P	93.9	Very high	93.9	Very high	44 Å²	44	40.5 Å²	40.5	29%	0.286	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-39.4	180	22.5	-33.1	0	0	0	112.7	M796 Y905 F908 G910 V916	M796-P912 HydrophobicContact CE-CB 4.22Å; M796-P912 HydrophobicContact SD-CB 4.13Å; Y905-P912 HydrophobicContact CD1-CG 4.32Å; Y905-P912 HydrophobicContact CE1-CB 4.17Å; Y905-P912 HydrophobicContact CE1-CG 4.2Å; F908-P912 HydrophobicContact CE2-CG 4.29Å; F908-P912 HydrophobicContact CZ-CG 4.28Å; G910-P912 VanDerWaalsContact C-CD 3.43Å; P912-V916 WeakPolarHBondContact O-CG2 3.46Å; P912-V916 PolarHBondContact O-N 3.12Å
913	H	96	Very high	93.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-48.8	179.9	-53.8	92.8	0	0	0	111.1	M796 Y905 F908 L909 G910 P911 K915 V916 M917	M796-H913 VanDerWaalsContact CG-CD2 3.43Å; M796-H913 WeakPolarHBondContact CG-CD2 3.46Å; Y905-H913 PolarHBondContact O-NE2 2.72Å; Y905-H913 VanDerWaalsContact O-NE2 3.09Å; F908-H913 AromaticContact CE2-CE1 3.68Å; F908-H913 AromaticContact CZ-CE1 3.79Å; F908-H913 PolarHBondContact O-CE1 3.42Å; F908-H913 PolarHBondContact O-NE2 3.18Å; L909-H913 HydrophobicContact CG-CB 4.07Å; G910-H913 PolarHBondContact N-ND1 3.37Å; G910-H913 VanDerWaalsContact N-ND1 3.16Å; G910-H913 WeakPolarHBondContact O-CB 3.43Å; G910-H913 PolarHBondContact O-N 3.25Å; P911-H913 VanDerWaalsContact C-N 3.31Å; P911-H913 PolarHBondContact O-N 3.43Å; H913-K915 VanDerWaalsContact C-N 3.3Å; H913-K915 PolarHBondContact O-N 2.97Å; H913-V916 PolarHBondContact O-N 3.48Å; H913-V916 VanDerWaalsContact O-N 3.1Å; H913-M917 HydrophobicContact CB-CE 4.01Å; H913-M917 WeakPolarHBondContact O-CG 3.34Å; H913-M917 PolarHBondContact O-N 2.73Å
914	I	94.1	Very high	93.6	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-37.5	-178	-57.9	177	0	0	0	110.4	L909 G910 P911 V916 M917 C918 L1009 S1013	L909-I914 HydrophobicContact CD2-CD1 4.1Å; L909-I914 HydrophobicContact CD2-CG1 3.96Å; G910-I914 PolarHBondContact O-N 2.78Å; P911-I914 PolarHBondContact O-N 2.97Å; I914-V916 VanDerWaalsContact C-N 3.34Å; I914-V916 PolarHBondContact O-N 2.76Å; I914-M917 WeakPolarHBondContact O-CB 3.39Å; I914-M917 PolarHBondContact O-N 3.48Å; I914-C918 PolarHBondContact O-N 3.23Å; I914-C918 PolarHBondContact O-SG 3.13Å; I914-L1009 HydrophobicContact CD1-CB 3.55Å; I914-L1009 HydrophobicContact CD1-CD1 4.04Å; I914-L1009 HydrophobicContact CD1-CG 4.42Å; I914-S1013 WeakPolarHBondContact CG2-OG 3.36Å
915	K	92.8	Very high	93.6	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.365	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-35.7	173.4	-173.6	175.3	-176.6	174	0	113.3	P911 H913 R919	P911-K915 WeakPolarHBondContact O-CB 3.41Å; P911-K915 PolarHBondContact O-N 3.1Å; H913-K915 VanDerWaalsContact C-N 3.3Å; H913-K915 PolarHBondContact O-N 2.97Å; K915-R919 PolarHBondContact O-N 3.24Å; K915-R919 PolarHBondContact O-NE 3Å
916	V	95.2	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-42.8	172.5	171.1	0	0	0	0	110.5	I795 M796 E799 P912 H913 I914 C918 R919 L920	I795-V916 HydrophobicContact CD1-CG1 4.07Å; I795-V916 HydrophobicContact CG1-CG1 3.84Å; I795-V916 HydrophobicContact CG2-CB 4.46Å; I795-V916 HydrophobicContact CG2-CG1 4.23Å; M796-V916 HydrophobicContact CE-CG2 4.12Å; M796-V916 HydrophobicContact SD-CB 4.29Å; M796-V916 HydrophobicContact SD-CG2 3.53Å; M796-V916 VanDerWaalsContact SD-CG2 3.53Å; E799-V916 HydrophobicContact CB-CG1 3.75Å; E799-V916 HydrophobicContact CB-CG2 4.19Å; E799-V916 HydrophobicContact CG-CG1 4.22Å; E799-V916 HydrophobicContact CG-CG2 4.09Å; P912-V916 WeakPolarHBondContact O-CG2 3.46Å; P912-V916 PolarHBondContact O-N 3.12Å; H913-V916 PolarHBondContact O-N 3.48Å; H913-V916 VanDerWaalsContact O-N 3.1Å; I914-V916 VanDerWaalsContact C-N 3.34Å; I914-V916 PolarHBondContact O-N 2.76Å; V916-C918 VanDerWaalsContact C-N 3.34Å; V916-C918 PolarHBondContact O-N 3.15Å; V916-R919 VanDerWaalsContact CG2-NH2 3.27Å; V916-R919 PolarHBondContact O-N 3.46Å; V916-L920 HydrophobicContact CG1-CD1 3.7Å; V916-L920 HydrophobicContact CG1-CG 4.18Å; V916-L920 WeakPolarHBondContact O-CG 3.43Å; V916-L920 PolarHBondContact O-N 2.63Å
917	M	94.8	Very high	93.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-45.9	176.1	-66.1	170.6	-156	0	0	111.3	L792 I795 V843 L909 H913 I914 R919 L920 L921 F1006	L792-M917 HydrophobicContact CD1-CE 3.46Å; L792-M917 VanDerWaalsContact CD1-CE 3.46Å; L792-M917 HydrophobicContact CD1-SD 4.16Å; L792-M917 HydrophobicContact CD2-CE 3.71Å; L792-M917 HydrophobicContact CD2-SD 4.36Å; L792-M917 HydrophobicContact CG-CE 3.37Å; L792-M917 HydrophobicContact CG-SD 4.44Å; I795-M917 HydrophobicContact CD1-CB 4.38Å; I795-M917 HydrophobicContact CD1-CG 3.49Å; I795-M917 VanDerWaalsContact CD1-CG 3.49Å; I795-M917 HydrophobicContact CG2-CE 4.09Å; V843-M917 HydrophobicContact CG1-SD 4.46Å; L909-M917 HydrophobicContact CD1-CE 4.09Å; H913-M917 HydrophobicContact CB-CE 4.01Å; H913-M917 WeakPolarHBondContact O-CG 3.34Å; H913-M917 PolarHBondContact O-N 2.73Å; I914-M917 WeakPolarHBondContact O-CB 3.39Å; I914-M917 PolarHBondContact O-N 3.48Å; M917-R919 VanDerWaalsContact C-N 3.33Å; M917-R919 PolarHBondContact O-N 3.44Å; M917-L920 PolarHBondContact O-N 3.5Å; M917-L921 VanDerWaalsContact O-CB 3.24Å; M917-L921 WeakPolarHBondContact O-CB 3.49Å; M917-L921 WeakPolarHBondContact O-CD1 3.48Å; M917-L921 PolarHBondContact O-N 3.27Å; M917-F1006 HydrophobicContact SD-CE2 3.9Å; M917-F1006 HydrophobicContact SD-CZ 4.1Å
918	C	92.1	Very high	93.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-56	-46.9	177.9	-70.4	0	0	0	0	112.1	I914 V916 G922 I926 E1017	I914-C918 PolarHBondContact O-N 3.23Å; I914-C918 PolarHBondContact O-SG 3.13Å; V916-C918 VanDerWaalsContact C-N 3.34Å; V916-C918 PolarHBondContact O-N 3.15Å; C918-G922 WeakPolarHBondContact O-CA 3.48Å; C918-G922 PolarHBondContact O-N 2.9Å; C918-I926 HydrophobicContact CB-CD1 4.23Å; C918-E1017 WeakPolarHBondContact CB-OE2 3.43Å
919	R	91.1	Very high	93.4	Very high	110 Å²	110	32.3 Å²	32.3	42%	0.415	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-46.4	177.3	-77.7	-177.7	-70.9	146.3	3.3	113.5	E799 K915 V916 M917 E1017	E799-R919 IonicContact OE1-CZ 2.77Å; E799-R919 IonicContact OE1-NH1 3.23Å; E799-R919 PolarHBondContact OE1-NH1 3.23Å; E799-R919 IonicContact OE1-NH2 2.68Å; K915-R919 PolarHBondContact O-N 3.24Å; K915-R919 PolarHBondContact O-NE 3Å; V916-R919 VanDerWaalsContact CG2-NH2 3.27Å; V916-R919 PolarHBondContact O-N 3.46Å; M917-R919 VanDerWaalsContact C-N 3.33Å; M917-R919 PolarHBondContact O-N 3.44Å; R919-E1017 VanDerWaalsContact CG-CD 3.42Å; R919-E1017 WeakPolarHBondContact CG-OE1 3.31Å; R919-E1017 WeakPolarHBondContact CG-OE2 3.19Å
920	L	94.3	Very high	93.3	Very high	28 Å²	28	32.9 Å²	32.9	15%	0.147	17%	0.174	C	C	.	.	H	α-helix	trans	-77.5	-31.7	-175	-67.1	-179.4	0	0	0	113.3	I795 L798 L802 I839 V916 M917	I795-L920 HydrophobicContact CD1-CD1 4.13Å; I795-L920 HydrophobicContact CG1-CD1 4.01Å; L798-L920 HydrophobicContact CD2-CD1 4.11Å; L802-L920 HydrophobicContact CD1-CD2 4.08Å; I839-L920 HydrophobicContact CG2-CB 4.29Å; I839-L920 HydrophobicContact CG2-CD1 4.24Å; V916-L920 HydrophobicContact CG1-CD1 3.7Å; V916-L920 HydrophobicContact CG1-CG 4.18Å; V916-L920 WeakPolarHBondContact O-CG 3.43Å; V916-L920 PolarHBondContact O-N 2.63Å; M917-L920 PolarHBondContact O-N 3.5Å
921	L	93.3	Very high	93.3	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-82.7	-34.1	178.1	-85.2	58.7	0	0	0	111.9	T840 V843 M917 G925 I926 V929	T840-L921 HydrophobicContact CG2-CG 4.16Å; V843-L921 HydrophobicContact CB-CD1 4.35Å; V843-L921 HydrophobicContact CG1-CD1 4.44Å; V843-L921 HydrophobicContact CG1-CD2 4.16Å; V843-L921 HydrophobicContact CG2-CD1 4.06Å; M917-L921 VanDerWaalsContact O-CB 3.24Å; M917-L921 WeakPolarHBondContact O-CB 3.49Å; M917-L921 WeakPolarHBondContact O-CD1 3.48Å; M917-L921 PolarHBondContact O-N 3.27Å; L921-G925 WeakPolarHBondContact O-CA 3.18Å; L921-G925 PolarHBondContact O-N 2.98Å; L921-G925 VanDerWaalsContact O-N 3.07Å; L921-I926 HydrophobicContact CB-CG1 4.21Å; L921-V929 HydrophobicContact CD2-CG2 3.89Å
922	G	91.9	Very high	93.4	Very high	28 Å²	28	36.5 Å²	36.5	29%	0.289	19%	0.186	S	C	.	.	H	α-helix	trans	58.3	-172.9	-169	0	0	0	0	0	112.7	C918 Q924 G925 I926	C918-G922 WeakPolarHBondContact O-CA 3.48Å; C918-G922 PolarHBondContact O-N 2.9Å; G922-Q924 VanDerWaalsContact C-N 3.34Å; G922-Q924 PolarHBondContact O-N 3.05Å; G922-G925 PolarHBondContact O-N 3.14Å; G922-I926 WeakPolarHBondContact O-CD1 3.47Å; G922-I926 WeakPolarHBondContact O-CG1 3.4Å; G922-I926 PolarHBondContact O-N 3.39Å
923	Y	91.8	Very high	93.4	Very high	100 Å²	100	34.4 Å²	34.4	39%	0.392	17%	0.172	S	C	.	.	H	α-helix	trans	-57.5	-44.9	-178.8	-66.7	-70.1	0	0	0	113.3	I926 A927 L1014 E1018 L1086	Y923-I926 PolarHBondContact O-N 3.38Å; Y923-A927 WeakPolarHBondContact O-CB 3.4Å; Y923-A927 PolarHBondContact O-N 3.29Å; Y923-L1014 HydrophobicContact CD1-CD1 4.43Å; Y923-L1014 HydrophobicContact CD1-CD2 4.12Å; Y923-L1014 HydrophobicContact CE1-CD1 3.98Å; Y923-L1014 HydrophobicContact CE1-CD2 3.95Å; Y923-L1014 HydrophobicContact CE1-CG 4.3Å; Y923-E1018 WeakPolarHBondContact CE1-OE1 3.36Å; Y923-E1018 VanDerWaalsContact CZ-OE1 3.29Å; Y923-E1018 WeakPolarHBondContact OH-CG 3.26Å; Y923-E1018 PolarHBondContact OH-OE1 3.31Å; Y923-L1086 HydrophobicContact CD1-CD1 4.28Å; Y923-L1086 HydrophobicContact CE1-CD1 4.01Å; Y923-L1086 HydrophobicContact CE1-CG 4.23Å
924	Q	91	Very high	93.3	Very high	111 Å²	111	34.7 Å²	34.7	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-66.8	-40.7	-176.4	-175.7	175.3	-13.4	0	0	112.1	P835 Y836 G922 V928	P835-Q924 PolarHBondContact O-NE2 3.17Å; Y836-Q924 HydrophobicContact CD1-CG 4.39Å; Y836-Q924 HydrophobicContact CE1-CG 3.81Å; G922-Q924 VanDerWaalsContact C-N 3.34Å; G922-Q924 PolarHBondContact O-N 3.05Å; Q924-V928 PolarHBondContact O-N 3.32Å
925	G	92.5	Very high	93.4	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-41.5	175.8	0	0	0	0	0	112.5	L921 G922 A927 V928 V929	L921-G925 WeakPolarHBondContact O-CA 3.18Å; L921-G925 PolarHBondContact O-N 2.98Å; L921-G925 VanDerWaalsContact O-N 3.07Å; G922-G925 PolarHBondContact O-N 3.14Å; G925-A927 PolarHBondContact O-N 3.37Å; G925-V928 WeakPolarHBondContact O-CG1 3.48Å; G925-V928 PolarHBondContact O-N 3.27Å; G925-V929 VanDerWaalsContact O-CG2 3.29Å; G925-V929 WeakPolarHBondContact O-CG2 3.42Å; G925-V929 PolarHBondContact O-N 3.2Å; G925-V929 VanDerWaalsContact O-N 3.08Å
926	I	93.4	Very high	93.4	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-44.4	176.1	-65.7	165.7	0	0	0	110.4	C918 L921 G922 Y923 V928 V929 M930 L1014	C918-I926 HydrophobicContact CB-CD1 4.23Å; L921-I926 HydrophobicContact CB-CG1 4.21Å; G922-I926 WeakPolarHBondContact O-CD1 3.47Å; G922-I926 WeakPolarHBondContact O-CG1 3.4Å; G922-I926 PolarHBondContact O-N 3.39Å; Y923-I926 PolarHBondContact O-N 3.38Å; I926-V928 PolarHBondContact O-N 3.29Å; I926-V929 PolarHBondContact O-N 3.19Å; I926-M930 HydrophobicContact CG2-CE 3.79Å; I926-M930 HydrophobicContact CG2-CG 4.32Å; I926-M930 HydrophobicContact CG2-SD 4.06Å; I926-M930 WeakPolarHBondContact O-CG 3.29Å; I926-M930 PolarHBondContact O-N 2.93Å; I926-L1014 HydrophobicContact CD1-CD1 4Å; I926-L1014 HydrophobicContact CD1-CD2 4.04Å; I926-L1014 HydrophobicContact CD1-CG 4.47Å
927	A	92.4	Very high	93.5	Very high	53 Å²	53	37.3 Å²	37.3	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-60.2	-46.8	-179.9	0	0	0	0	0	112.4	Y923 G925 M930 E931	Y923-A927 WeakPolarHBondContact O-CB 3.4Å; Y923-A927 PolarHBondContact O-N 3.29Å; G925-A927 PolarHBondContact O-N 3.37Å; A927-M930 PolarHBondContact O-N 3.23Å; A927-E931 WeakPolarHBondContact O-CG 3.42Å; A927-E931 PolarHBondContact O-N 3.43Å
928	V	93.7	Very high	93.5	Very high	28 Å²	28	41.6 Å²	41.6	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-40	178.3	68.4	0	0	0	0	111.8	Y836 T840 Q924 G925 I926 M930 E931 E932	Y836-V928 HydrophobicContact CD1-CB 4.33Å; Y836-V928 HydrophobicContact CD1-CG1 3.68Å; Y836-V928 HydrophobicContact CE1-CB 3.57Å; Y836-V928 HydrophobicContact CE1-CG1 3.4Å; Y836-V928 VanDerWaalsContact CE1-CG1 3.4Å; Y836-V928 HydrophobicContact CE1-CG2 4.04Å; Y836-V928 HydrophobicContact CE2-CG2 4.08Å; Y836-V928 HydrophobicContact CG-CG1 4.42Å; T840-V928 HydrophobicContact CG2-CG1 4.15Å; Q924-V928 PolarHBondContact O-N 3.32Å; G925-V928 WeakPolarHBondContact O-CG1 3.48Å; G925-V928 PolarHBondContact O-N 3.27Å; I926-V928 PolarHBondContact O-N 3.29Å; V928-M930 PolarHBondContact O-N 3.29Å; V928-E931 PolarHBondContact O-N 3.03Å; V928-E932 HydrophobicContact CG2-CG 4.32Å; V928-E932 WeakPolarHBondContact O-CG 3.47Å; V928-E932 PolarHBondContact O-N 3.31Å
929	V	94.9	Very high	93.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-44.4	176.9	170.6	0	0	0	0	110.5	F844 L847 L921 G925 I926 E931 E932 L933 F1006	F844-V929 HydrophobicContact CB-CG2 4.37Å; L847-V929 HydrophobicContact CD1-CG1 3.57Å; L921-V929 HydrophobicContact CD2-CG2 3.89Å; G925-V929 VanDerWaalsContact O-CG2 3.29Å; G925-V929 WeakPolarHBondContact O-CG2 3.42Å; G925-V929 PolarHBondContact O-N 3.2Å; G925-V929 VanDerWaalsContact O-N 3.08Å; I926-V929 PolarHBondContact O-N 3.19Å; V929-E931 PolarHBondContact O-N 3.33Å; V929-E932 PolarHBondContact O-N 3.07Å; V929-L933 HydrophobicContact CG1-CD1 3.99Å; V929-L933 HydrophobicContact CG1-CG 4.29Å; V929-L933 WeakPolarHBondContact O-CB 3.49Å; V929-L933 VanDerWaalsContact O-CG 3.23Å; V929-L933 WeakPolarHBondContact O-CG 3.46Å; V929-L933 PolarHBondContact O-N 3.4Å; V929-F1006 HydrophobicContact CG1-CD1 4.49Å; V929-F1006 HydrophobicContact CG1-CE1 3.77Å
930	M	93.6	Very high	93.9	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.059	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-41.1	176.6	-73.2	-174.3	172.7	0	0	112.6	I926 A927 V928 L933 L934 C1007 M1092 I1096	I926-M930 HydrophobicContact CG2-CE 3.79Å; I926-M930 HydrophobicContact CG2-CG 4.32Å; I926-M930 HydrophobicContact CG2-SD 4.06Å; I926-M930 WeakPolarHBondContact O-CG 3.29Å; I926-M930 PolarHBondContact O-N 2.93Å; A927-M930 PolarHBondContact O-N 3.23Å; V928-M930 PolarHBondContact O-N 3.29Å; M930-L933 PolarHBondContact O-N 3.18Å; M930-L934 WeakPolarHBondContact O-CG 3.46Å; M930-L934 PolarHBondContact O-N 2.71Å; M930-C1007 HydrophobicContact CE-CB 4.35Å; M930-C1007 WeakPolarHBondContact CE-O 3.43Å; M930-M1092 HydrophobicContact CE-CE 3.89Å; M930-M1092 HydrophobicContact CE-SD 4.29Å; M930-M1092 HydrophobicContact SD-CE 4.34Å; M930-M1092 HydrophobicContact SD-SD 3.94Å; M930-I1096 HydrophobicContact CB-CD1 4.46Å
931	E	93.6	Very high	93.9	Very high	75 Å²	75	40 Å²	40	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-42.9	175.9	-76.1	-70.4	173.6	0	0	112.6	A927 V928 V929 L934 K935 R1099	A927-E931 WeakPolarHBondContact O-CG 3.42Å; A927-E931 PolarHBondContact O-N 3.43Å; V928-E931 PolarHBondContact O-N 3.03Å; V929-E931 PolarHBondContact O-N 3.33Å; E931-L934 WeakPolarHBondContact O-CB 3.4Å; E931-L934 PolarHBondContact O-N 3.42Å; E931-K935 WeakPolarHBondContact O-CG 3.49Å; E931-K935 PolarHBondContact O-N 3.42Å; E931-K935 VanDerWaalsContact O-N 3.1Å; E931-R1099 IonicContact OE1-CZ 3.45Å; E931-R1099 IonicContact OE1-NH1 3.45Å; E931-R1099 PolarHBondContact OE1-NH1 3.43Å; E931-R1099 IonicContact OE1-NH2 3.59Å; E931-R1099 IonicContact OE2-CZ 2.76Å; E931-R1099 IonicContact OE2-NH1 3.21Å; E931-R1099 PolarHBondContact OE2-NH1 3.39Å; E931-R1099 IonicContact OE2-NH2 2.68Å; E931-R1099 PolarHBondContact OE2-NH2 2.9Å
932	E	94.4	Very high	93.9	Very high	55 Å²	55	43.2 Å²	43.2	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-68.3	-38.6	176.8	-66.9	-55.2	136.5	0	0	111.7	F844 V928 V929 L934 K935 V936	F844-E932 HydrophobicContact CD2-CB 3.88Å; F844-E932 HydrophobicContact CE1-CB 4.38Å; F844-E932 HydrophobicContact CE2-CB 3.26Å; F844-E932 HydrophobicContact CE2-CG 4.15Å; F844-E932 HydrophobicContact CZ-CB 3.56Å; F844-E932 HydrophobicContact CZ-CG 4.12Å; V928-E932 HydrophobicContact CG2-CG 4.32Å; V928-E932 WeakPolarHBondContact O-CG 3.47Å; V928-E932 PolarHBondContact O-N 3.31Å; V929-E932 PolarHBondContact O-N 3.07Å; E932-L934 VanDerWaalsContact C-N 3.31Å; E932-L934 PolarHBondContact O-N 3.39Å; E932-K935 WeakPolarHBondContact O-CB 3.41Å; E932-K935 PolarHBondContact O-N 2.9Å; E932-K935 VanDerWaalsContact O-N 3.07Å; E932-K935 IonicContact OE1-NZ 3.27Å; E932-K935 PolarHBondContact OE1-NZ 3.35Å; E932-K935 WeakPolarHBondContact OE2-CD 3.36Å; E932-K935 IonicContact OE2-NZ 3.42Å; E932-V936 WeakPolarHBondContact O-CG2 3.28Å; E932-V936 PolarHBondContact O-N 3.41Å
933	L	94.7	Very high	94	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-38.8	172.6	-72.6	178.3	0	0	0	111.9	L852 V929 M930 K935 V936 V937 A1003 F1006	L852-L933 HydrophobicContact CD1-CD2 3.83Å; L852-L933 HydrophobicContact CD2-CD2 4.48Å; V929-L933 HydrophobicContact CG1-CD1 3.99Å; V929-L933 HydrophobicContact CG1-CG 4.29Å; V929-L933 WeakPolarHBondContact O-CB 3.49Å; V929-L933 VanDerWaalsContact O-CG 3.23Å; V929-L933 WeakPolarHBondContact O-CG 3.46Å; V929-L933 PolarHBondContact O-N 3.4Å; M930-L933 PolarHBondContact O-N 3.18Å; L933-K935 VanDerWaalsContact C-N 3.3Å; L933-K935 PolarHBondContact O-N 2.98Å; L933-V936 PolarHBondContact O-N 2.93Å; L933-V937 WeakPolarHBondContact O-CG2 3.4Å; L933-V937 PolarHBondContact O-N 2.87Å; L933-A1003 HydrophobicContact CD2-CB 4.24Å; L933-F1006 HydrophobicContact CD1-CB 4.42Å; L933-F1006 HydrophobicContact CD1-CD1 3.54Å; L933-F1006 HydrophobicContact CD1-CE1 4.22Å; L933-F1006 HydrophobicContact CD1-CG 4.3Å
934	L	94.2	Very high	94.1	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-38.7	172.2	-80.7	176.9	0	0	0	112.1	M930 E931 E932 V937 K938 I1096 V1100 F1103	M930-L934 WeakPolarHBondContact O-CG 3.46Å; M930-L934 PolarHBondContact O-N 2.71Å; E931-L934 WeakPolarHBondContact O-CB 3.4Å; E931-L934 PolarHBondContact O-N 3.42Å; E932-L934 VanDerWaalsContact C-N 3.31Å; E932-L934 PolarHBondContact O-N 3.39Å; L934-V937 PolarHBondContact O-N 3.03Å; L934-K938 WeakPolarHBondContact O-CB 3.44Å; L934-K938 PolarHBondContact O-N 3.33Å; L934-I1096 HydrophobicContact CD1-CD1 3.73Å; L934-I1096 HydrophobicContact CD2-CD1 4.25Å; L934-I1096 HydrophobicContact CD2-CG2 3.97Å; L934-I1096 HydrophobicContact CG-CD1 4Å; L934-V1100 HydrophobicContact CD2-CG2 3.67Å; L934-F1103 HydrophobicContact CD2-CE2 4.28Å
935	K	94.9	Very high	94.3	Very high	114 Å²	114	36.4 Å²	36.4	50%	0.496	20%	0.204	S	C	.	.	H	α-helix	trans	-66.2	-40.2	174.9	-68.2	170.9	-174.4	170.8	0	111.7	E931 E932 L933 K938 S939	E931-K935 WeakPolarHBondContact O-CG 3.49Å; E931-K935 PolarHBondContact O-N 3.42Å; E931-K935 VanDerWaalsContact O-N 3.1Å; E932-K935 WeakPolarHBondContact O-CB 3.41Å; E932-K935 PolarHBondContact O-N 2.9Å; E932-K935 VanDerWaalsContact O-N 3.07Å; E932-K935 IonicContact OE1-NZ 3.27Å; E932-K935 PolarHBondContact OE1-NZ 3.35Å; E932-K935 WeakPolarHBondContact OE2-CD 3.36Å; E932-K935 IonicContact OE2-NZ 3.42Å; L933-K935 VanDerWaalsContact C-N 3.3Å; L933-K935 PolarHBondContact O-N 2.98Å; K935-K938 PolarHBondContact O-N 2.7Å; K935-S939 WeakPolarHBondContact O-CB 3.33Å; K935-S939 PolarHBondContact O-N 2.99Å
936	V	94.5	Very high	94.4	Very high	25 Å²	25	37.3 Å²	37.3	15%	0.152	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-50.5	173.5	173.4	0	0	0	0	110.3	L852 E932 L933 K938 S939 L940	L852-V936 HydrophobicContact CD1-CG1 4.15Å; E932-V936 WeakPolarHBondContact O-CG2 3.28Å; E932-V936 PolarHBondContact O-N 3.41Å; L933-V936 PolarHBondContact O-N 2.93Å; V936-K938 VanDerWaalsContact C-N 3.33Å; V936-K938 PolarHBondContact O-N 3.09Å; V936-S939 WeakPolarHBondContact O-CB 3.34Å; V936-S939 PolarHBondContact O-N 3.47Å; V936-S939 VanDerWaalsContact O-N 3.15Å; V936-L940 HydrophobicContact CG1-CD1 4.06Å; V936-L940 WeakPolarHBondContact O-CG 3.5Å; V936-L940 PolarHBondContact O-N 2.91Å
937	V	95.9	Very high	94.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-43.6	177.5	170.7	0	0	0	0	111.3	L933 L934 S939 L940 L941 V1000 A1003 V1100 F1103	L933-V937 WeakPolarHBondContact O-CG2 3.4Å; L933-V937 PolarHBondContact O-N 2.87Å; L934-V937 PolarHBondContact O-N 3.03Å; V937-S939 PolarHBondContact O-N 3.39Å; V937-L940 PolarHBondContact O-N 2.71Å; V937-L941 HydrophobicContact CG1-CD1 3.62Å; V937-L941 HydrophobicContact CG1-CG 4.16Å; V937-L941 WeakPolarHBondContact O-CB 3.38Å; V937-L941 WeakPolarHBondContact O-CG 3.47Å; V937-L941 PolarHBondContact O-N 2.99Å; V937-V1000 HydrophobicContact CG1-CG1 4.06Å; V937-V1000 HydrophobicContact CG2-CG1 4.38Å; V937-A1003 HydrophobicContact CG2-CB 3.78Å; V937-V1100 HydrophobicContact CG1-CG1 4.12Å; V937-V1100 HydrophobicContact CG1-CG2 4.08Å; V937-F1103 HydrophobicContact CG1-CD2 4.48Å
938	K	95.8	Very high	94.5	Very high	92 Å²	92	42 Å²	42	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-47.5	175	-175.7	-179.4	178.3	-179	0	111.6	L934 K935 V936 L940 L941 Q942 F1103	L934-K938 WeakPolarHBondContact O-CB 3.44Å; L934-K938 PolarHBondContact O-N 3.33Å; K935-K938 PolarHBondContact O-N 2.7Å; V936-K938 VanDerWaalsContact C-N 3.33Å; V936-K938 PolarHBondContact O-N 3.09Å; K938-L940 PolarHBondContact O-N 3.47Å; K938-L941 PolarHBondContact O-N 3.41Å; K938-Q942 HydrophobicContact CG-CG 4.4Å; K938-Q942 WeakPolarHBondContact O-CB 3.22Å; K938-Q942 WeakPolarHBondContact O-CG 3.1Å; K938-Q942 PolarHBondContact O-N 2.97Å; K938-F1103 HydrophobicContact CB-CD1 4.25Å; K938-F1103 HydrophobicContact CB-CD2 3.73Å; K938-F1103 HydrophobicContact CB-CE1 4.21Å; K938-F1103 HydrophobicContact CB-CE2 3.68Å; K938-F1103 HydrophobicContact CB-CG 4.05Å; K938-F1103 HydrophobicContact CB-CZ 3.93Å; K938-F1103 HydrophobicContact CD-CD1 4.01Å; K938-F1103 HydrophobicContact CD-CE1 3.85Å; K938-F1103 HydrophobicContact CD-CZ 4.26Å; K938-F1103 HydrophobicContact CG-CD1 3.86Å; K938-F1103 HydrophobicContact CG-CD2 4.17Å; K938-F1103 HydrophobicContact CG-CE1 4.06Å; K938-F1103 HydrophobicContact CG-CE2 4.35Å; K938-F1103 HydrophobicContact CG-CG 3.94Å; K938-F1103 HydrophobicContact CG-CZ 4.3Å
939	S	95.3	Very high	94.5	Very high	84 Å²	84	40.9 Å²	40.9	59%	0.587	21%	0.213	S	C	*	.	H	α-helix	trans	-60.3	-44.7	179.6	-174.3	0	0	0	0	111.6	K935 V936 V937 G943	K935-S939 WeakPolarHBondContact O-CB 3.33Å; K935-S939 PolarHBondContact O-N 2.99Å; V936-S939 WeakPolarHBondContact O-CB 3.34Å; V936-S939 PolarHBondContact O-N 3.47Å; V936-S939 VanDerWaalsContact O-N 3.15Å; V937-S939 PolarHBondContact O-N 3.39Å; S939-G943 VanDerWaalsContact O-CA 3.3Å; S939-G943 WeakPolarHBondContact O-CA 3.43Å; S939-G943 PolarHBondContact O-N 2.88Å
940	L	95	Very high	94.4	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-48	177.8	-69.4	174.5	0	0	0	111.9	V936 V937 K938 T944 I945 E999 V1000	V936-L940 HydrophobicContact CG1-CD1 4.06Å; V936-L940 WeakPolarHBondContact O-CG 3.5Å; V936-L940 PolarHBondContact O-N 2.91Å; V937-L940 PolarHBondContact O-N 2.71Å; K938-L940 PolarHBondContact O-N 3.47Å; L940-T944 PolarHBondContact O-N 3.07Å; L940-I945 HydrophobicContact CB-CD1 3.97Å; L940-I945 HydrophobicContact CB-CG1 4.48Å; L940-I945 VanDerWaalsContact O-CB 3.27Å; L940-I945 WeakPolarHBondContact O-CB 3.45Å; L940-I945 WeakPolarHBondContact O-CG1 3.45Å; L940-I945 PolarHBondContact O-N 3.18Å; L940-E999 HydrophobicContact CD1-CB 3.9Å; L940-V1000 HydrophobicContact CB-CG2 3.9Å; L940-V1000 HydrophobicContact CD1-CG2 3.82Å
941	L	94.4	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-177.5	-73.2	177.5	0	0	0	113.2	V937 K938 I945 L946 V1000 V1100 F1103 L1104 M1163 I1164	V937-L941 HydrophobicContact CG1-CD1 3.62Å; V937-L941 HydrophobicContact CG1-CG 4.16Å; V937-L941 WeakPolarHBondContact O-CB 3.38Å; V937-L941 WeakPolarHBondContact O-CG 3.47Å; V937-L941 PolarHBondContact O-N 2.99Å; K938-L941 PolarHBondContact O-N 3.41Å; L941-I945 HydrophobicContact CD2-CD1 4.02Å; L941-I945 HydrophobicContact CD2-CG2 4.46Å; L941-L946 VanDerWaalsContact O-CB 3.28Å; L941-L946 WeakPolarHBondContact O-CB 3.47Å; L941-L946 PolarHBondContact O-N 3.39Å; L941-V1000 HydrophobicContact CG-CG2 4.5Å; L941-V1100 HydrophobicContact CD1-CG1 3.76Å; L941-F1103 HydrophobicContact CD1-CB 4.5Å; L941-L1104 HydrophobicContact CD1-CD2 4.21Å; L941-L1104 HydrophobicContact CD2-CD2 4.38Å; L941-M1163 HydrophobicContact CD1-CE 4.43Å; L941-I1164 HydrophobicContact CD2-CD1 3.85Å; L941-I1164 HydrophobicContact CD2-CG1 4.3Å
942	Q	94.4	Very high	94.4	Very high	85 Å²	85	43.5 Å²	43.5	40%	0.397	23%	0.227	S	C	.	.	H	α-helix	trans	-93.6	-15.3	-179.7	-61.9	-173.4	-29	0	0	113.4	K938 F1103	K938-Q942 HydrophobicContact CG-CG 4.4Å; K938-Q942 WeakPolarHBondContact O-CB 3.22Å; K938-Q942 WeakPolarHBondContact O-CG 3.1Å; K938-Q942 PolarHBondContact O-N 2.97Å; Q942-F1103 HydrophobicContact CG-CB 4.48Å; Q942-F1103 PolarHBondContact NE2-O 3.36Å; Q942-F1103 VanDerWaalsContact NE2-O 3.09Å
943	G	94.6	Very high	94.2	Very high	35 Å²	35	41.7 Å²	41.7	36%	0.361	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-102.5	179.1	0	0	0	0	0	112.1	S939 L946 Q947	S939-G943 VanDerWaalsContact O-CA 3.3Å; S939-G943 WeakPolarHBondContact O-CA 3.43Å; S939-G943 PolarHBondContact O-N 2.88Å; G943-L946 PolarHBondContact O-N 3.39Å; G943-Q947 PolarHBondContact O-N 2.92Å; G943-Q947 VanDerWaalsContact O-N 3.11Å
944	T	93.1	Very high	94	Very high	52 Å²	52	49.5 Å²	49.5	32%	0.319	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-47.8	-171.5	52.2	0	0	0	0	112.1	L940 L946 Q947 Y948 N996	L940-T944 PolarHBondContact O-N 3.07Å; T944-L946 PolarHBondContact O-N 3.31Å; T944-Q947 WeakPolarHBondContact O-CB 3.25Å; T944-Q947 PolarHBondContact O-N 3.35Å; T944-Y948 VanDerWaalsContact O-CD2 3.31Å; T944-Y948 WeakPolarHBondContact O-CD2 3.26Å; T944-Y948 PolarHBondContact O-N 2.86Å; T944-N996 PolarHBondContact OG1-ND2 3.43Å
945	I	95.3	Very high	93.9	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-44.4	-177.8	-59	173.5	0	0	0	110.3	L940 L941 Q947 Y948 V949 N996 L997 V1000 W1109	L940-I945 HydrophobicContact CB-CD1 3.97Å; L940-I945 HydrophobicContact CB-CG1 4.48Å; L940-I945 VanDerWaalsContact O-CB 3.27Å; L940-I945 WeakPolarHBondContact O-CB 3.45Å; L940-I945 WeakPolarHBondContact O-CG1 3.45Å; L940-I945 PolarHBondContact O-N 3.18Å; L941-I945 HydrophobicContact CD2-CD1 4.02Å; L941-I945 HydrophobicContact CD2-CG2 4.46Å; I945-Q947 VanDerWaalsContact C-N 3.32Å; I945-Q947 PolarHBondContact O-N 2.82Å; I945-Y948 PolarHBondContact O-N 3.36Å; I945-V949 HydrophobicContact CG2-CG2 4.09Å; I945-V949 WeakPolarHBondContact O-CB 3.35Å; I945-V949 VanDerWaalsContact O-CG2 3.24Å; I945-V949 WeakPolarHBondContact O-CG2 3.45Å; I945-V949 PolarHBondContact O-N 2.94Å; I945-N996 HydrophobicContact CD1-CB 4.04Å; I945-N996 HydrophobicContact CG1-CB 3.7Å; I945-L997 HydrophobicContact CD1-CD2 4.19Å; I945-L997 HydrophobicContact CG2-CD2 4.24Å; I945-V1000 HydrophobicContact CD1-CG2 3.7Å; I945-W1109 HydrophobicContact CG2-CH2 4.07Å
946	L	94.6	Very high	93.8	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-44	176.7	-177.2	59.3	0	0	0	112.2	L941 G943 T944 V949 K950 D1106 I1108 W1109	L941-L946 VanDerWaalsContact O-CB 3.28Å; L941-L946 WeakPolarHBondContact O-CB 3.47Å; L941-L946 PolarHBondContact O-N 3.39Å; G943-L946 PolarHBondContact O-N 3.39Å; T944-L946 PolarHBondContact O-N 3.31Å; L946-V949 PolarHBondContact O-N 3.31Å; L946-K950 HydrophobicContact CD1-CD 4.46Å; L946-K950 HydrophobicContact CD1-CG 4.45Å; L946-K950 HydrophobicContact CG-CD 4.34Å; L946-K950 WeakPolarHBondContact O-CG 3.34Å; L946-K950 PolarHBondContact O-N 3.42Å; L946-D1106 HydrophobicContact CD1-CB 3.98Å; L946-D1106 HydrophobicContact CD2-CB 4.33Å; L946-I1108 HydrophobicContact CD1-CG2 3.59Å; L946-W1109 HydrophobicContact CB-CZ2 4.42Å; L946-W1109 HydrophobicContact CD1-CZ2 3.85Å
947	Q	94.1	Very high	93.6	Very high	121 Å²	121	46.3 Å²	46.3	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-60.8	-46.7	178.9	-178.2	-178.9	-9.3	0	0	111.5	G943 T944 I945 K950 T951	G943-Q947 PolarHBondContact O-N 2.92Å; G943-Q947 VanDerWaalsContact O-N 3.11Å; T944-Q947 WeakPolarHBondContact O-CB 3.25Å; T944-Q947 PolarHBondContact O-N 3.35Å; I945-Q947 VanDerWaalsContact C-N 3.32Å; I945-Q947 PolarHBondContact O-N 2.82Å; Q947-K950 PolarHBondContact O-N 3.3Å; Q947-T951 WeakPolarHBondContact O-CB 3.47Å; Q947-T951 PolarHBondContact O-N 3.35Å; Q947-T951 PolarHBondContact O-OG1 3Å
948	Y	93.2	Very high	93.2	Very high	40 Å²	40	54.9 Å²	54.9	16%	0.157	28%	0.283	C	S	.	.	H	α-helix	trans	-71.2	-33.2	177.9	-81.2	-92.6	0	0	0	112.3	T944 I945 T951 L952 Y986 E988 V992 C993	T944-Y948 VanDerWaalsContact O-CD2 3.31Å; T944-Y948 WeakPolarHBondContact O-CD2 3.26Å; T944-Y948 PolarHBondContact O-N 2.86Å; I945-Y948 PolarHBondContact O-N 3.36Å; Y948-T951 PolarHBondContact O-N 3.16Å; Y948-L952 VanDerWaalsContact O-CB 3.27Å; Y948-L952 WeakPolarHBondContact O-CB 3.24Å; Y948-L952 VanDerWaalsContact O-CG 3.25Å; Y948-L952 WeakPolarHBondContact O-CG 3.28Å; Y948-L952 PolarHBondContact O-N 3.47Å; Y948-Y986 HydrophobicContact CD1-CE1 4.01Å; Y948-Y986 AromaticContact CE1-CE1 3.98Å; Y948-Y986 HydrophobicContact CE1-CE1 3.98Å; Y948-Y986 WeakPolarHBondContact CE1-OH 3.32Å; Y948-E988 HydrophobicContact CE1-CB 4.15Å; Y948-E988 WeakPolarHBondContact CE1-OE2 3.36Å; Y948-E988 PolarHBondContact OH-OE2 3.45Å; Y948-V992 HydrophobicContact CD2-CG1 4.08Å; Y948-V992 HydrophobicContact CE1-CB 4.39Å; Y948-V992 HydrophobicContact CE1-CG1 4.29Å; Y948-V992 HydrophobicContact CE2-CB 4.41Å; Y948-V992 HydrophobicContact CE2-CG1 3.48Å; Y948-V992 VanDerWaalsContact CE2-CG1 3.48Å; Y948-C993 WeakPolarHBondContact CD1-SG 3.33Å
949	V	94.3	Very high	92.9	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-46.2	173.2	167.2	0	0	0	0	110.6	I945 L946 T951 L952 M953 I1108 W1109 F1127 L1130	I945-V949 HydrophobicContact CG2-CG2 4.09Å; I945-V949 WeakPolarHBondContact O-CB 3.35Å; I945-V949 VanDerWaalsContact O-CG2 3.24Å; I945-V949 WeakPolarHBondContact O-CG2 3.45Å; I945-V949 PolarHBondContact O-N 2.94Å; L946-V949 PolarHBondContact O-N 3.31Å; V949-T951 VanDerWaalsContact C-N 3.33Å; V949-T951 PolarHBondContact O-N 2.95Å; V949-L952 PolarHBondContact O-N 3.31Å; V949-M953 WeakPolarHBondContact O-CB 3.44Å; V949-M953 PolarHBondContact O-N 3.38Å; V949-I1108 HydrophobicContact CG1-CG1 4.47Å; V949-I1108 HydrophobicContact CG1-CG2 4.36Å; V949-W1109 HydrophobicContact CB-CH2 4.36Å; V949-W1109 HydrophobicContact CB-CZ3 4.43Å; V949-W1109 HydrophobicContact CG1-CE3 4.36Å; V949-W1109 HydrophobicContact CG1-CH2 4.46Å; V949-W1109 HydrophobicContact CG1-CZ3 4.13Å; V949-W1109 HydrophobicContact CG2-CH2 3.87Å; V949-W1109 HydrophobicContact CG2-CZ3 3.88Å; V949-F1127 HydrophobicContact CG1-CD2 4.18Å; V949-F1127 HydrophobicContact CG2-CD2 4.13Å; V949-F1127 HydrophobicContact CG2-CE2 3.87Å; V949-L1130 HydrophobicContact CB-CD2 4.35Å; V949-L1130 HydrophobicContact CG1-CD2 4.13Å; V949-L1130 HydrophobicContact CG2-CD2 4.18Å
950	K	93.2	Very high	92.8	Very high	86 Å²	86	51.1 Å²	51.1	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-59.3	-45.4	174.3	-73.8	177.6	178.3	178	0	111.6	L946 Q947 M953 E954 D1106 I1108	L946-K950 HydrophobicContact CD1-CD 4.46Å; L946-K950 HydrophobicContact CD1-CG 4.45Å; L946-K950 HydrophobicContact CG-CD 4.34Å; L946-K950 WeakPolarHBondContact O-CG 3.34Å; L946-K950 PolarHBondContact O-N 3.42Å; Q947-K950 PolarHBondContact O-N 3.3Å; K950-M953 PolarHBondContact O-N 2.89Å; K950-E954 PolarHBondContact O-N 3.44Å; K950-D1106 WeakPolarHBondContact CE-OD1 3.35Å; K950-D1106 VanDerWaalsContact CE-OD2 3.26Å; K950-D1106 WeakPolarHBondContact CE-OD2 3.29Å; K950-D1106 IonicContact NZ-OD1 2.83Å; K950-D1106 IonicContact NZ-OD2 2.93Å; K950-D1106 PolarHBondContact NZ-OD2 2.82Å; K950-I1108 HydrophobicContact CG-CB 4.2Å; K950-I1108 HydrophobicContact CG-CG1 3.97Å; K950-I1108 HydrophobicContact CG-CG2 3.99Å
951	T	93.7	Very high	92.5	Very high	58 Å²	58	57.9 Å²	57.9	36%	0.356	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-50.4	179.9	-55.3	0	0	0	0	111.5	Q947 Y948 V949 M953 E954 V955	Q947-T951 WeakPolarHBondContact O-CB 3.47Å; Q947-T951 PolarHBondContact O-N 3.35Å; Q947-T951 PolarHBondContact O-OG1 3Å; Y948-T951 PolarHBondContact O-N 3.16Å; V949-T951 VanDerWaalsContact C-N 3.33Å; V949-T951 PolarHBondContact O-N 2.95Å; T951-M953 VanDerWaalsContact C-N 3.32Å; T951-M953 PolarHBondContact O-N 3.48Å; T951-E954 PolarHBondContact O-N 3.1Å; T951-V955 WeakPolarHBondContact O-CG2 3.4Å; T951-V955 PolarHBondContact O-N 3.15Å
952	L	92.5	Very high	92.4	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-26.4	-178.1	-67.9	173.4	0	0	0	112.7	Y948 V949 E954 V955 M956 I983 Y986 L989 L1130 M1134	Y948-L952 VanDerWaalsContact O-CB 3.27Å; Y948-L952 WeakPolarHBondContact O-CB 3.24Å; Y948-L952 VanDerWaalsContact O-CG 3.25Å; Y948-L952 WeakPolarHBondContact O-CG 3.28Å; Y948-L952 PolarHBondContact O-N 3.47Å; V949-L952 PolarHBondContact O-N 3.31Å; L952-E954 VanDerWaalsContact C-N 3.34Å; L952-V955 PolarHBondContact O-N 3.14Å; L952-M956 WeakPolarHBondContact O-CB 3.39Å; L952-M956 PolarHBondContact O-N 3.37Å; L952-I983 HydrophobicContact CB-CD1 4.36Å; L952-I983 HydrophobicContact CD2-CD1 4.01Å; L952-Y986 HydrophobicContact CD2-CD1 3.88Å; L952-Y986 HydrophobicContact CD2-CD2 3.93Å; L952-Y986 HydrophobicContact CD2-CE1 4.02Å; L952-Y986 HydrophobicContact CD2-CE2 4.08Å; L952-Y986 HydrophobicContact CD2-CG 3.83Å; L952-L989 HydrophobicContact CD1-CD1 3.98Å; L952-L1130 HydrophobicContact CB-CD1 3.69Å; L952-L1130 HydrophobicContact CB-CD2 4.05Å; L952-L1130 HydrophobicContact CD1-CD1 4.45Å; L952-M1134 HydrophobicContact CD1-CE 3.57Å
953	M	91.5	Very high	92.3	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-68.6	-32.8	174.1	-161.7	65.7	70.9	0	0	112.1	V949 K950 T951 M956 I1108 L1130	V949-M953 WeakPolarHBondContact O-CB 3.44Å; V949-M953 PolarHBondContact O-N 3.38Å; K950-M953 PolarHBondContact O-N 2.89Å; T951-M953 VanDerWaalsContact C-N 3.32Å; T951-M953 PolarHBondContact O-N 3.48Å; M953-M956 VanDerWaalsContact O-CB 3.31Å; M953-M956 WeakPolarHBondContact O-CB 3.35Å; M953-M956 PolarHBondContact O-N 3.19Å; M953-I1108 HydrophobicContact CB-CD1 4.17Å; M953-I1108 HydrophobicContact CB-CG1 4.49Å; M953-I1108 HydrophobicContact CG-CD1 3.99Å; M953-L1130 HydrophobicContact CE-CB 3.81Å; M953-L1130 HydrophobicContact CE-CD2 4.24Å; M953-L1130 HydrophobicContact SD-CB 4.47Å
954	E	90.3	Very high	92.1	Very high	164 Å²	164	63.9 Å²	63.9	77%	0.766	30%	0.297	S	S	*	.	H	α-helix	trans	-73.2	-31.3	171.7	-68.6	-63.8	149.9	0	0	112.5	K950 T951 L952 M956	K950-E954 PolarHBondContact O-N 3.44Å; T951-E954 PolarHBondContact O-N 3.1Å; L952-E954 VanDerWaalsContact C-N 3.34Å; E954-M956 VanDerWaalsContact C-N 3.27Å
955	V	91.9	Very high	91.9	Very high	49 Å²	49	64.9 Å²	64.9	30%	0.297	30%	0.298	S	S	.	.	H	α-helix	trans	-73.5	-22.4	173.2	177.4	0	0	0	0	111.5	T951 L952 D982 I983	T951-V955 WeakPolarHBondContact O-CG2 3.4Å; T951-V955 PolarHBondContact O-N 3.15Å; L952-V955 PolarHBondContact O-N 3.14Å; V955-D982 HydrophobicContact CG1-CB 3.5Å; V955-I983 HydrophobicContact CB-CD1 4.19Å; V955-I983 HydrophobicContact CG1-CD1 3.85Å
956	M	92.1	Very high	91.4	Very high	7 Å²	7	71.8 Å²	71.8	3%	0.034	33%	0.33	C	S	.	.	S	Bend	trans	-66.4	139.7	-178.2	-161.4	66.8	-148.3	0	0	111.2	L952 M953 E954 K958 L980 I983 C1124 L1130 A1133 F1179	L952-M956 WeakPolarHBondContact O-CB 3.39Å; L952-M956 PolarHBondContact O-N 3.37Å; M953-M956 VanDerWaalsContact O-CB 3.31Å; M953-M956 WeakPolarHBondContact O-CB 3.35Å; M953-M956 PolarHBondContact O-N 3.19Å; E954-M956 VanDerWaalsContact C-N 3.27Å; M956-K958 PolarHBondContact O-N 3.4Å; M956-L980 HydrophobicContact CE-CD2 3.26Å; M956-L980 HydrophobicContact SD-CD2 4.41Å; M956-I983 HydrophobicContact SD-CD1 4.35Å; M956-I983 HydrophobicContact SD-CG1 4.06Å; M956-C1124 HydrophobicContact CE-CB 4.37Å; M956-C1124 HydrophobicContact CG-CB 3.63Å; M956-L1130 HydrophobicContact SD-CD1 4.5Å; M956-A1133 HydrophobicContact CE-CB 3.8Å; M956-A1133 HydrophobicContact SD-CB 3.71Å; M956-F1179 HydrophobicContact CE-CE2 3.87Å; M956-F1179 HydrophobicContact CE-CZ 4.1Å
957	P	90.9	Very high	91.1	Very high	22 Å²	22	78.8 Å²	78.8	14%	0.143	36%	0.356	C	S	.	.			trans	-55.1	125.4	171.3	22.8	-37.1	0	0	0	110.8	I959 C960 Q979 L980 C1124	P957-I959 PolarHBondContact O-N 3.2Å; P957-C960 HydrophobicContact CG-CB 4.23Å; P957-Q979 WeakPolarHBondContact CG-O 3.39Å; P957-L980 HydrophobicContact CG-CD2 4.26Å; P957-C1124 WeakPolarHBondContact O-CB 3.36Å
958	K	88.1	Confident	90.9	Very high	183 Å²	183	73.3 Å²	73.3	80%	0.796	33%	0.332	S	S	*	.	S	Bend	trans	-51.6	-37.8	-178.1	-66.3	-173.1	175.8	-175.8	0	113.2	M956 C1124	M956-K958 PolarHBondContact O-N 3.4Å; K958-C1124 PolarHBondContact O-N 2.93Å
959	I	89	Confident	90.8	Very high	98 Å²	98	71.4 Å²	71.4	50%	0.503	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-138.4	126.8	179.6	-57.5	178.3	0	0	0	107.9	P957 D1122	P957-I959 PolarHBondContact O-N 3.2Å; I959-D1122 CarbonylContact C-O 3.4Å; I959-D1122 WeakPolarHBondContact CA-O 3.31Å; I959-D1122 HydrophobicContact CG2-CB 3.51Å
960	C	91.8	Very high	90.6	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.326	C	S	.	.			trans	-133.4	101.3	175.2	-169.2	0	0	0	0	110	P957 D1122 F1179	P957-C960 HydrophobicContact CG-CB 4.23Å; C960-D1122 PolarHBondContact N-O 3.43Å; C960-F1179 HydrophobicContact CB-CE1 3.89Å; C960-F1179 HydrophobicContact CB-CZ 3.99Å; C960-F1179 VanDerWaalsContact SG-CE1 3.55Å
961	R	90.2	Very high	90.4	Very high	164 Å²	164	68.9 Å²	68.9	62%	0.619	32%	0.323	S	S	*	.			trans	-74.5	146.5	178.6	-68.3	-167.9	167.4	158.2	5	111.3	P963 F975 D1122	R961-P963 VanDerWaalsContact O-CD 3.27Å; R961-P963 WeakPolarHBondContact O-CD 3.36Å; R961-F975 VanDerWaalsContact O-CE1 3.29Å; R961-F975 WeakPolarHBondContact O-CE1 2.94Å; R961-D1122 HydrophobicContact CG-CB 4.12Å; R961-D1122 WeakPolarHBondContact CG-OD2 3.26Å; R961-D1122 IonicContact CZ-OD2 3.31Å; R961-D1122 IonicContact NE-OD2 3.26Å; R961-D1122 PolarHBondContact NE-OD2 2.98Å; R961-D1122 IonicContact NH2-OD2 3.76Å
962	L	92	Very high	90.3	Very high	45 Å²	45	66.1 Å²	66.1	24%	0.236	31%	0.306	C	S	.	.			trans	-79.5	111.8	166.2	-62.5	-177.6	0	0	0	109.1	F976 L1177 F1179 H1182	L962-F976 HydrophobicContact CD2-CE1 4.29Å; L962-F976 HydrophobicContact CD2-CZ 3.87Å; L962-L1177 HydrophobicContact CD1-CD2 4.39Å; L962-F1179 HydrophobicContact CD2-CD1 3.96Å; L962-H1182 HydrophobicContact CD1-CB 4.27Å; L962-H1182 HydrophobicContact CD2-CB 3.92Å
963	P	92.2	Very high	90.3	Very high	18 Å²	18	66.1 Å²	66.1	12%	0.117	31%	0.306	C	S	.	.			trans	-65.8	149	-177.8	-15.5	29.3	0	0	0	111	R961 Y967 I972 F975 H1182	R961-P963 VanDerWaalsContact O-CD 3.27Å; R961-P963 WeakPolarHBondContact O-CD 3.36Å; P963-Y967 HydrophobicContact CB-CD2 4.07Å; P963-Y967 HydrophobicContact CB-CG 4.21Å; P963-I972 HydrophobicContact CB-CG1 4.02Å; P963-I972 HydrophobicContact CG-CG1 4.23Å; P963-F975 HydrophobicContact CG-CB 4.44Å; P963-F975 HydrophobicContact CG-CD1 3.51Å; P963-F975 HydrophobicContact CG-CE1 3.82Å; P963-F975 HydrophobicContact CG-CG 3.92Å; P963-F975 HydrophobicContact CG-CZ 4.45Å; P963-H1182 PolarHBondContact O-CE1 3.13Å; P963-H1182 PolarHBondContact O-NE2 3.27Å
964	R	90.4	Very high	90.4	Very high	182 Å²	182	70.5 Å²	70.5	69%	0.687	33%	0.326	S	S	*	.			trans	-69.3	163.9	-177.9	-56.2	-176.2	173.9	-177.4	-1.7	112	E966 Y967	R964-E966 WeakPolarHBondContact CB-OE2 3.47Å; R964-E966 PolarHBondContact O-N 3.32Å; R964-E966 VanDerWaalsContact O-N 3.12Å; R964-Y967 HydrophobicContact CB-CD2 4.29Å; R964-Y967 HydrophobicContact CB-CE2 4.44Å; R964-Y967 WeakPolarHBondContact O-CD2 3.27Å; R964-Y967 PolarHBondContact O-N 3.48Å
965	H	89.2	Confident	90.5	Very high	74 Å²	74	65.9 Å²	65.9	34%	0.343	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.3	-176.2	-72.9	-147.7	0	0	0	112.9	Y967 G968	H965-Y967 PolarHBondContact O-N 2.89Å; H965-G968 PolarHBondContact O-N 3.29Å
966	E	85.3	Confident	90.6	Very high	153 Å²	153	63.5 Å²	63.5	72%	0.715	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.6	-178.6	-57.7	85	173.5	0	0	113.6	R964 G968	R964-E966 WeakPolarHBondContact CB-OE2 3.47Å; R964-E966 PolarHBondContact O-N 3.32Å; R964-E966 VanDerWaalsContact O-N 3.12Å; E966-G968 PolarHBondContact O-N 3.44Å
967	Y	86.9	Confident	90.5	Very high	168 Å²	168	64 Å²	64	66%	0.659	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.6	175.6	-72.6	-94	0	0	0	112.8	P963 R964 H965	P963-Y967 HydrophobicContact CB-CD2 4.07Å; P963-Y967 HydrophobicContact CB-CG 4.21Å; R964-Y967 HydrophobicContact CB-CD2 4.29Å; R964-Y967 HydrophobicContact CB-CE2 4.44Å; R964-Y967 WeakPolarHBondContact O-CD2 3.27Å; R964-Y967 PolarHBondContact O-N 3.48Å; H965-Y967 PolarHBondContact O-N 2.89Å
968	G	90.7	Very high	90.5	Very high	6 Å²	6	69.1 Å²	69.1	6%	0.062	31%	0.313	C	S	.	.	H	α-helix	trans	71.9	150.8	-177	0	0	0	0	0	113.6	H965 E966 P970 G971 I972 D1190	H965-G968 PolarHBondContact O-N 3.29Å; E966-G968 PolarHBondContact O-N 3.44Å; G968-P970 VanDerWaalsContact C-CD 3.45Å; G968-G971 PolarHBondContact O-N 3.46Å; G968-I972 VanDerWaalsContact O-CG1 3.32Å; G968-I972 WeakPolarHBondContact O-CG1 3.25Å; G968-I972 PolarHBondContact O-N 3.35Å; G968-D1190 WeakPolarHBondContact CA-OD2 3.41Å
969	S	90.3	Very high	90.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-33.7	-177.8	55.8	0	0	0	0	115.1	I972 L973 L1183 D1190 L1201	S969-I972 PolarHBondContact O-N 3.49Å; S969-L973 WeakPolarHBondContact O-CB 3.33Å; S969-L973 PolarHBondContact O-N 2.88Å; S969-L1183 WeakPolarHBondContact O-CD1 3.48Å; S969-D1190 WeakPolarHBondContact CB-OD2 3.21Å; S969-D1190 PolarHBondContact N-OD2 3.49Å; S969-D1190 VanDerWaalsContact OG-CG 3.24Å; S969-D1190 PolarHBondContact OG-OD1 2.79Å; S969-D1190 PolarHBondContact OG-OD2 3.22Å; S969-L1201 WeakPolarHBondContact OG-CD2 3.36Å
970	P	90.8	Very high	90.8	Very high	9 Å²	9	58.7 Å²	58.7	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-43.1	173.3	-20.6	33.4	0	0	0	113	G968 I972 L973 E974 K1192 E1194 I1196 L1201	G968-P970 VanDerWaalsContact C-CD 3.45Å; P970-I972 VanDerWaalsContact C-N 3.34Å; P970-I972 PolarHBondContact O-N 3.05Å; P970-L973 PolarHBondContact O-N 3.49Å; P970-E974 PolarHBondContact O-N 2.82Å; P970-K1192 HydrophobicContact CG-CB 4.03Å; P970-K1192 HydrophobicContact CG-CD 3.84Å; P970-E1194 HydrophobicContact CB-CB 4.27Å; P970-E1194 HydrophobicContact CB-CG 4.47Å; P970-E1194 VanDerWaalsContact CB-OE2 3.32Å; P970-E1194 WeakPolarHBondContact CB-OE2 3.42Å; P970-E1194 HydrophobicContact CG-CB 4.22Å; P970-E1194 VanDerWaalsContact CG-CD 3.44Å; P970-E1194 HydrophobicContact CG-CG 4.06Å; P970-E1194 WeakPolarHBondContact CG-OE1 3.39Å; P970-I1196 HydrophobicContact CB-CD1 3.95Å; P970-I1196 HydrophobicContact CB-CG1 4.08Å; P970-L1201 HydrophobicContact CG-CD2 4Å
971	G	89.2	Confident	90.7	Very high	29 Å²	29	63.1 Å²	63.1	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-33.5	178	0	0	0	0	0	112.8	G968 F975	G968-G971 PolarHBondContact O-N 3.46Å; G971-F975 WeakPolarHBondContact O-CB 3.42Å; G971-F975 PolarHBondContact O-N 2.79Å
972	I	92.1	Very high	90.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.4	-41.5	173.4	-66.7	174.4	0	0	0	111.2	P963 G968 S969 P970 F975 F976 L1183 V1186	P963-I972 HydrophobicContact CB-CG1 4.02Å; P963-I972 HydrophobicContact CG-CG1 4.23Å; G968-I972 VanDerWaalsContact O-CG1 3.32Å; G968-I972 WeakPolarHBondContact O-CG1 3.25Å; G968-I972 PolarHBondContact O-N 3.35Å; S969-I972 PolarHBondContact O-N 3.49Å; P970-I972 VanDerWaalsContact C-N 3.34Å; P970-I972 PolarHBondContact O-N 3.05Å; I972-F975 PolarHBondContact O-N 3.32Å; I972-F976 HydrophobicContact CG2-CD2 3.7Å; I972-F976 HydrophobicContact CG2-CE2 3.27Å; I972-F976 HydrophobicContact CG2-CZ 3.98Å; I972-F976 WeakPolarHBondContact O-CD2 3.44Å; I972-F976 PolarHBondContact O-N 3.03Å; I972-L1183 HydrophobicContact CB-CD1 4.18Å; I972-L1183 HydrophobicContact CG2-CD1 3.95Å; I972-V1186 HydrophobicContact CD1-CB 3.86Å; I972-V1186 HydrophobicContact CD1-CG1 3.71Å; I972-V1186 HydrophobicContact CD1-CG2 3.66Å
973	L	91.9	Very high	90.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-43.3	175	175.8	58.4	0	0	0	111.2	S969 P970 F976 H977 F1136 L1183 I1196 V1199 L1201	S969-L973 WeakPolarHBondContact O-CB 3.33Å; S969-L973 PolarHBondContact O-N 2.88Å; P970-L973 PolarHBondContact O-N 3.49Å; L973-F976 PolarHBondContact O-N 2.77Å; L973-H977 WeakPolarHBondContact O-CB 3.44Å; L973-H977 PolarHBondContact O-CD2 3.37Å; L973-H977 PolarHBondContact O-N 3.09Å; L973-F1136 HydrophobicContact CD1-CE2 3.9Å; L973-F1136 HydrophobicContact CD1-CZ 3.86Å; L973-L1183 HydrophobicContact CB-CD1 4.05Å; L973-L1183 HydrophobicContact CB-CD2 4.22Å; L973-L1183 HydrophobicContact CD1-CD2 3.85Å; L973-I1196 HydrophobicContact CD2-CB 3.81Å; L973-I1196 HydrophobicContact CD2-CG1 4.14Å; L973-I1196 HydrophobicContact CG-CB 4.12Å; L973-I1196 HydrophobicContact CG-CG2 4.3Å; L973-V1199 HydrophobicContact CD2-CB 4.41Å; L973-V1199 HydrophobicContact CD2-CG1 4.12Å; L973-L1201 HydrophobicContact CB-CD1 4.21Å; L973-L1201 HydrophobicContact CD2-CB 4.17Å; L973-L1201 HydrophobicContact CD2-CD1 3.73Å
974	E	92.5	Very high	90.6	Very high	110 Å²	110	59.4 Å²	59.4	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-43.2	175.5	-169.4	173.6	-165.4	0	0	112	P970 H977 H978 I1196	P970-E974 PolarHBondContact O-N 2.82Å; E974-H977 PolarHBondContact O-N 3.46Å; E974-H978 PolarHBondContact O-N 2.9Å; E974-I1196 HydrophobicContact CB-CG2 3.73Å; E974-I1196 HydrophobicContact CG-CG2 4.25Å
975	F	92.8	Very high	90.6	Very high	66 Å²	66	56.8 Å²	56.8	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-51.1	176.3	175.6	-95.8	0	0	0	111.7	R961 P963 G971 I972 H977 H978 Q979	R961-F975 VanDerWaalsContact O-CE1 3.29Å; R961-F975 WeakPolarHBondContact O-CE1 2.94Å; P963-F975 HydrophobicContact CG-CB 4.44Å; P963-F975 HydrophobicContact CG-CD1 3.51Å; P963-F975 HydrophobicContact CG-CE1 3.82Å; P963-F975 HydrophobicContact CG-CG 3.92Å; P963-F975 HydrophobicContact CG-CZ 4.45Å; G971-F975 WeakPolarHBondContact O-CB 3.42Å; G971-F975 PolarHBondContact O-N 2.79Å; I972-F975 PolarHBondContact O-N 3.32Å; F975-H977 VanDerWaalsContact C-N 3.34Å; F975-H977 PolarHBondContact O-N 3.07Å; F975-H978 PolarHBondContact O-N 3.16Å; F975-H978 VanDerWaalsContact O-N 3.13Å; F975-Q979 HydrophobicContact CD1-CG 4.18Å; F975-Q979 HydrophobicContact CD2-CG 4.27Å; F975-Q979 HydrophobicContact CE1-CG 3.77Å; F975-Q979 HydrophobicContact CE2-CG 3.88Å; F975-Q979 HydrophobicContact CG-CG 4.42Å; F975-Q979 HydrophobicContact CZ-CG 3.61Å; F975-Q979 WeakPolarHBondContact O-CG 3.33Å; F975-Q979 PolarHBondContact O-N 2.75Å
976	F	93.6	Very high	90.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-37.2	178.5	-67.8	-41.2	0	0	0	112.3	L962 I972 L973 H978 Q979 L980 F1136 F1179 L1183	L962-F976 HydrophobicContact CD2-CE1 4.29Å; L962-F976 HydrophobicContact CD2-CZ 3.87Å; I972-F976 HydrophobicContact CG2-CD2 3.7Å; I972-F976 HydrophobicContact CG2-CE2 3.27Å; I972-F976 HydrophobicContact CG2-CZ 3.98Å; I972-F976 WeakPolarHBondContact O-CD2 3.44Å; I972-F976 PolarHBondContact O-N 3.03Å; L973-F976 PolarHBondContact O-N 2.77Å; F976-H978 PolarHBondContact O-N 3.4Å; F976-Q979 PolarHBondContact O-N 3.2Å; F976-L980 HydrophobicContact CB-CD1 4.38Å; F976-L980 VanDerWaalsContact O-CB 3.26Å; F976-L980 WeakPolarHBondContact O-CB 3.47Å; F976-L980 VanDerWaalsContact O-CG 3.31Å; F976-L980 WeakPolarHBondContact O-CG 3.28Å; F976-L980 PolarHBondContact O-N 2.98Å; F976-F1136 HydrophobicContact CB-CD2 4.3Å; F976-F1136 HydrophobicContact CB-CE2 3.74Å; F976-F1136 HydrophobicContact CB-CZ 3.88Å; F976-F1179 HydrophobicContact CD1-CB 4.13Å; F976-F1179 HydrophobicContact CD1-CD1 4.05Å; F976-F1179 HydrophobicContact CD1-CG 4.23Å; F976-F1179 HydrophobicContact CD2-CB 4.22Å; F976-F1179 HydrophobicContact CE1-CB 4Å; F976-F1179 AromaticContact CE1-CD1 3.54Å; F976-F1179 HydrophobicContact CE1-CD1 3.54Å; F976-F1179 HydrophobicContact CE1-CE1 4.37Å; F976-F1179 HydrophobicContact CE1-CG 4.07Å; F976-F1179 HydrophobicContact CE2-CB 4.07Å; F976-F1179 VanDerWaalsContact CE2-O 3.25Å; F976-F1179 WeakPolarHBondContact CE2-O 3.25Å; F976-F1179 HydrophobicContact CG-CB 4.26Å; F976-F1179 HydrophobicContact CZ-CB 3.97Å; F976-F1179 HydrophobicContact CZ-CD1 4.05Å; F976-F1179 HydrophobicContact CZ-CG 4.45Å; F976-L1183 HydrophobicContact CE2-CB 4.37Å
977	H	90.4	Very high	90.7	Very high	16 Å²	16	53.2 Å²	53.2	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-30.2	173	-100.4	-63.5	0	0	0	113.9	L973 E974 F975 F1136 K1197 V1199	L973-H977 WeakPolarHBondContact O-CB 3.44Å; L973-H977 PolarHBondContact O-CD2 3.37Å; L973-H977 PolarHBondContact O-N 3.09Å; E974-H977 PolarHBondContact O-N 3.46Å; F975-H977 VanDerWaalsContact C-N 3.34Å; F975-H977 PolarHBondContact O-N 3.07Å; H977-F1136 AromaticContact CD2-CZ 3.8Å; H977-F1136 AromaticContact CG-CZ 3.97Å; H977-F1136 AromaticContact ND1-CE1 3.96Å; H977-F1136 AromaticContact NE2-CZ 3.94Å; H977-K1197 HydrophobicContact CB-CD 3.94Å; H977-V1199 VanDerWaalsContact NE2-CG2 3.3Å; H977-V1199 WeakPolarHBondContact NE2-CG2 3.48Å
978	H	90.9	Very high	90.9	Very high	130 Å²	130	49.2 Å²	49.2	60%	0.602	26%	0.257	S	S	*	.	H	α-helix	trans	-79	-47.6	175.3	-174.9	77.8	0	0	0	111.3	E974 F975 F976 L980 K981	E974-H978 PolarHBondContact O-N 2.9Å; F975-H978 PolarHBondContact O-N 3.16Å; F975-H978 VanDerWaalsContact O-N 3.13Å; F976-H978 PolarHBondContact O-N 3.4Å; H978-L980 VanDerWaalsContact C-N 3.31Å; H978-L980 PolarHBondContact O-N 2.91Å; H978-K981 PolarHBondContact O-N 3.21Å
979	Q	90.3	Very high	90.9	Very high	62 Å²	62	49.1 Å²	49.1	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-30.6	-178.1	-67.3	-63.7	-17.8	0	0	113.5	P957 F975 F976	P957-Q979 WeakPolarHBondContact CG-O 3.39Å; F975-Q979 HydrophobicContact CD1-CG 4.18Å; F975-Q979 HydrophobicContact CD2-CG 4.27Å; F975-Q979 HydrophobicContact CE1-CG 3.77Å; F975-Q979 HydrophobicContact CE2-CG 3.88Å; F975-Q979 HydrophobicContact CG-CG 4.42Å; F975-Q979 HydrophobicContact CZ-CG 3.61Å; F975-Q979 WeakPolarHBondContact O-CG 3.33Å; F975-Q979 PolarHBondContact O-N 2.75Å; F976-Q979 PolarHBondContact O-N 3.2Å
980	L	93	Very high	90.8	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.6	-176	-53.5	178.6	0	0	0	113.1	M956 P957 F976 H978 D982 I983 V984 A1133 F1136 F1179	M956-L980 HydrophobicContact CE-CD2 3.26Å; M956-L980 HydrophobicContact SD-CD2 4.41Å; P957-L980 HydrophobicContact CG-CD2 4.26Å; F976-L980 HydrophobicContact CB-CD1 4.38Å; F976-L980 VanDerWaalsContact O-CB 3.26Å; F976-L980 WeakPolarHBondContact O-CB 3.47Å; F976-L980 VanDerWaalsContact O-CG 3.31Å; F976-L980 WeakPolarHBondContact O-CG 3.28Å; F976-L980 PolarHBondContact O-N 2.98Å; H978-L980 VanDerWaalsContact C-N 3.31Å; H978-L980 PolarHBondContact O-N 2.91Å; L980-D982 VanDerWaalsContact C-N 3.31Å; L980-D982 PolarHBondContact O-N 3.5Å; L980-I983 PolarHBondContact O-N 3.5Å; L980-I983 VanDerWaalsContact O-N 3.11Å; L980-V984 WeakPolarHBondContact O-CG2 3.4Å; L980-V984 PolarHBondContact O-N 2.81Å; L980-A1133 HydrophobicContact CD1-CB 4.48Å; L980-A1133 HydrophobicContact CD2-CB 4.01Å; L980-F1136 HydrophobicContact CB-CD1 4.37Å; L980-F1136 HydrophobicContact CD1-CB 3.75Å; L980-F1136 HydrophobicContact CD1-CD1 3.69Å; L980-F1136 HydrophobicContact CD1-CD2 4.38Å; L980-F1136 HydrophobicContact CD1-CE1 4.38Å; L980-F1136 HydrophobicContact CD1-CG 3.68Å; L980-F1179 HydrophobicContact CD1-CD2 3.79Å; L980-F1179 HydrophobicContact CD1-CE2 4.26Å; L980-F1179 HydrophobicContact CD1-CG 4.4Å; L980-F1179 HydrophobicContact CD2-CD2 4.33Å; L980-F1179 HydrophobicContact CD2-CE2 3.96Å
981	K	90.8	Very high	90.6	Very high	92 Å²	92	57.2 Å²	57.2	40%	0.4	30%	0.296	S	S	.	.	H	α-helix	trans	-53.6	-47	-173.2	-174.5	-172.4	172.1	-164	0	112.4	H978 I983 V984 E985	H978-K981 PolarHBondContact O-N 3.21Å; K981-I983 PolarHBondContact O-N 2.84Å; K981-V984 PolarHBondContact O-N 3.15Å; K981-V984 VanDerWaalsContact O-N 3.11Å; K981-E985 WeakPolarHBondContact CE-OE1 3.25Å; K981-E985 WeakPolarHBondContact CE-OE2 3.17Å; K981-E985 HydrophobicContact CG-CG 4.45Å; K981-E985 IonicContact NZ-OE1 3.45Å; K981-E985 IonicContact NZ-OE2 3.61Å; K981-E985 PolarHBondContact O-N 3.15Å
982	D	90.4	Very high	90.5	Very high	102 Å²	102	57.5 Å²	57.5	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-69.9	-23.5	-175.2	-58.1	-28.4	0	0	0	112.7	V955 L980 Y986	V955-D982 HydrophobicContact CG1-CB 3.5Å; L980-D982 VanDerWaalsContact C-N 3.31Å; L980-D982 PolarHBondContact O-N 3.5Å; D982-Y986 PolarHBondContact O-N 3.39Å
983	I	91.6	Very high	90.5	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-78.8	-40.5	171	-56.3	-63.4	0	0	0	110.6	L952 V955 M956 L980 K981 E985 Y986 L989 L1130 A1133 V1137	L952-I983 HydrophobicContact CB-CD1 4.36Å; L952-I983 HydrophobicContact CD2-CD1 4.01Å; V955-I983 HydrophobicContact CB-CD1 4.19Å; V955-I983 HydrophobicContact CG1-CD1 3.85Å; M956-I983 HydrophobicContact SD-CD1 4.35Å; M956-I983 HydrophobicContact SD-CG1 4.06Å; L980-I983 PolarHBondContact O-N 3.5Å; L980-I983 VanDerWaalsContact O-N 3.11Å; K981-I983 PolarHBondContact O-N 2.84Å; I983-E985 VanDerWaalsContact C-N 3.35Å; I983-E985 PolarHBondContact O-N 3.17Å; I983-Y986 WeakPolarHBondContact O-CB 3.26Å; I983-Y986 PolarHBondContact O-N 3.02Å; I983-L989 HydrophobicContact CG2-CD2 4.37Å; I983-L1130 HydrophobicContact CD1-CD1 4.4Å; I983-A1133 HydrophobicContact CB-CB 4.5Å; I983-A1133 HydrophobicContact CG1-CB 4.35Å; I983-A1133 HydrophobicContact CG2-CB 4.03Å; I983-V1137 HydrophobicContact CG2-CG2 4.14Å
984	V	89.8	Confident	90.6	Very high	47 Å²	47	57.8 Å²	57.8	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178.1	174.6	0	0	0	0	111.6	L980 K981 Y986 F1136 V1137 I1140	L980-V984 WeakPolarHBondContact O-CG2 3.4Å; L980-V984 PolarHBondContact O-N 2.81Å; K981-V984 PolarHBondContact O-N 3.15Å; K981-V984 VanDerWaalsContact O-N 3.11Å; V984-Y986 VanDerWaalsContact C-N 3.34Å; V984-F1136 HydrophobicContact CG2-CD1 4.25Å; V984-F1136 HydrophobicContact CG2-CE1 4.35Å; V984-V1137 HydrophobicContact CB-CG2 4.36Å; V984-V1137 HydrophobicContact CG2-CG2 3.85Å; V984-I1140 HydrophobicContact CG1-CD1 4.2Å; V984-I1140 HydrophobicContact CG2-CD1 4.31Å
985	E	90.4	Very high	90.6	Very high	127 Å²	127	52.9 Å²	52.9	59%	0.593	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	1.3	-177.5	-67.7	178.3	-177.4	0	0	113.4	K981 I983 A987	K981-E985 WeakPolarHBondContact CE-OE1 3.25Å; K981-E985 WeakPolarHBondContact CE-OE2 3.17Å; K981-E985 HydrophobicContact CG-CG 4.45Å; K981-E985 IonicContact NZ-OE1 3.45Å; K981-E985 IonicContact NZ-OE2 3.61Å; K981-E985 PolarHBondContact O-N 3.15Å; I983-E985 VanDerWaalsContact C-N 3.35Å; I983-E985 PolarHBondContact O-N 3.17Å; E985-A987 PolarHBondContact O-N 2.9Å; E985-A987 VanDerWaalsContact O-N 3.13Å
986	Y	92.3	Very high	90.7	Very high	59 Å²	59	50.7 Å²	50.7	23%	0.231	26%	0.263	C	S	.	.			trans	-69.7	109.9	-178.1	-165.6	-99.3	0	0	0	111.8	Y948 L952 D982 I983 V984 E988 L989	Y948-Y986 HydrophobicContact CD1-CE1 4.01Å; Y948-Y986 AromaticContact CE1-CE1 3.98Å; Y948-Y986 HydrophobicContact CE1-CE1 3.98Å; Y948-Y986 WeakPolarHBondContact CE1-OH 3.32Å; L952-Y986 HydrophobicContact CD2-CD1 3.88Å; L952-Y986 HydrophobicContact CD2-CD2 3.93Å; L952-Y986 HydrophobicContact CD2-CE1 4.02Å; L952-Y986 HydrophobicContact CD2-CE2 4.08Å; L952-Y986 HydrophobicContact CD2-CG 3.83Å; D982-Y986 PolarHBondContact O-N 3.39Å; I983-Y986 WeakPolarHBondContact O-CB 3.26Å; I983-Y986 PolarHBondContact O-N 3.02Å; V984-Y986 VanDerWaalsContact C-N 3.34Å; Y986-E988 VanDerWaalsContact C-N 3.32Å; Y986-E988 HydrophobicContact CD1-CB 4.4Å; Y986-E988 HydrophobicContact CE1-CB 3.89Å; Y986-E988 PolarHBondContact O-N 3.18Å; Y986-L989 HydrophobicContact CD1-CB 4.03Å; Y986-L989 VanDerWaalsContact O-CB 3.29Å; Y986-L989 WeakPolarHBondContact O-CB 3.42Å; Y986-L989 PolarHBondContact O-N 3.32Å
987	A	85.3	Confident	90.8	Very high	92 Å²	92	50.9 Å²	50.9	76%	0.76	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.2	-169.6	0	0	0	0	0	114.2	E985 L989	E985-A987 PolarHBondContact O-N 2.9Å; E985-A987 VanDerWaalsContact O-N 3.13Å; A987-L989 VanDerWaalsContact C-N 3.34Å
988	E	91.1	Very high	91	Very high	84 Å²	84	50.1 Å²	50.1	39%	0.393	26%	0.26	S	S	.	.	H	α-helix	trans	-91.6	6.5	-174.8	-65.6	-180	175.6	0	0	113.7	Y948 Y986 K990 T991 V992 C993	Y948-E988 HydrophobicContact CE1-CB 4.15Å; Y948-E988 WeakPolarHBondContact CE1-OE2 3.36Å; Y948-E988 PolarHBondContact OH-OE2 3.45Å; Y986-E988 VanDerWaalsContact C-N 3.32Å; Y986-E988 HydrophobicContact CD1-CB 4.4Å; Y986-E988 HydrophobicContact CE1-CB 3.89Å; Y986-E988 PolarHBondContact O-N 3.18Å; E988-K990 VanDerWaalsContact C-N 3.32Å; E988-K990 PolarHBondContact O-N 2.92Å; E988-T991 WeakPolarHBondContact CA-OG1 3.21Å; E988-V992 HydrophobicContact CB-CB 4.3Å; E988-V992 HydrophobicContact CB-CG2 3.96Å; E988-V992 HydrophobicContact CG-CG2 4.32Å; E988-V992 WeakPolarHBondContact O-CB 3.49Å; E988-V992 PolarHBondContact O-N 3.01Å; E988-C993 PolarHBondContact O-N 3.04Å
989	L	90	Very high	91.3	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.238	C	C	.	.	I	π-helix	trans	-62.5	-41.3	-176.7	-173.3	65.4	0	0	0	111.5	L952 I983 Y986 A987 C993 F994 M1134 V1137	L952-L989 HydrophobicContact CD1-CD1 3.98Å; I983-L989 HydrophobicContact CG2-CD2 4.37Å; Y986-L989 HydrophobicContact CD1-CB 4.03Å; Y986-L989 VanDerWaalsContact O-CB 3.29Å; Y986-L989 WeakPolarHBondContact O-CB 3.42Å; Y986-L989 PolarHBondContact O-N 3.32Å; A987-L989 VanDerWaalsContact C-N 3.34Å; L989-C993 HydrophobicContact CD1-CB 4.09Å; L989-C993 VanDerWaalsContact O-CB 3.28Å; L989-C993 WeakPolarHBondContact O-CB 3.43Å; L989-C993 PolarHBondContact O-N 2.72Å; L989-F994 HydrophobicContact CD1-CE1 4.11Å; L989-F994 HydrophobicContact CD2-CE1 4.4Å; L989-F994 HydrophobicContact CD2-CZ 4.07Å; L989-F994 HydrophobicContact CG-CD1 4.49Å; L989-F994 HydrophobicContact CG-CE1 3.93Å; L989-F994 HydrophobicContact CG-CZ 3.97Å; L989-F994 WeakPolarHBondContact O-CD1 3.47Å; L989-F994 WeakPolarHBondContact O-CG 2.88Å; L989-F994 PolarHBondContact O-N 3.28Å; L989-M1134 HydrophobicContact CD1-CE 3.97Å; L989-M1134 HydrophobicContact CD1-CG 4.25Å; L989-V1137 HydrophobicContact CD2-CB 4.19Å; L989-V1137 HydrophobicContact CD2-CG1 3.96Å; L989-V1137 HydrophobicContact CD2-CG2 3.96Å
990	K	87.4	Confident	91.6	Very high	102 Å²	102	42.3 Å²	42.3	44%	0.443	22%	0.224	S	C	.	.	I	π-helix	trans	-83.3	-48	179.3	-63.3	-177.8	-177.4	176.8	0	111.8	F871 E988 V992 F994 Q995 F1153	F871-K990 HydrophobicContact CZ-CB 4.41Å; E988-K990 VanDerWaalsContact C-N 3.32Å; E988-K990 PolarHBondContact O-N 2.92Å; K990-V992 PolarHBondContact O-N 3.13Å; K990-F994 HydrophobicContact CB-CD2 4.33Å; K990-F994 HydrophobicContact CG-CD2 3.91Å; K990-F994 HydrophobicContact CG-CE2 4.07Å; K990-Q995 PolarHBondContact O-N 2.89Å; K990-F1153 HydrophobicContact CB-CZ 4.37Å; K990-F1153 WeakPolarHBondContact O-CZ 3.34Å
991	T	86.8	Confident	91.7	Very high	77 Å²	77	42.2 Å²	42.2	47%	0.472	22%	0.224	S	C	.	.	I	π-helix	trans	-70.9	-28.3	-173.6	50.6	0	0	0	0	114.2	F871 E988 Q995	F871-T991 HydrophobicContact CE1-CG2 3.92Å; F871-T991 HydrophobicContact CZ-CG2 4.08Å; E988-T991 WeakPolarHBondContact CA-OG1 3.21Å; T991-Q995 VanDerWaalsContact O-CB 3.26Å; T991-Q995 WeakPolarHBondContact O-CB 3.36Å
992	V	88.3	Confident	92	Very high	35 Å²	35	37.9 Å²	37.9	21%	0.212	20%	0.204	C	C	.	.	I	π-helix	trans	-117.9	-56	-177.8	-172.3	0	0	0	0	111.3	Y948 E988 K990 N996	Y948-V992 HydrophobicContact CD2-CG1 4.08Å; Y948-V992 HydrophobicContact CE1-CB 4.39Å; Y948-V992 HydrophobicContact CE1-CG1 4.29Å; Y948-V992 HydrophobicContact CE2-CB 4.41Å; Y948-V992 HydrophobicContact CE2-CG1 3.48Å; Y948-V992 VanDerWaalsContact CE2-CG1 3.48Å; E988-V992 HydrophobicContact CB-CB 4.3Å; E988-V992 HydrophobicContact CB-CG2 3.96Å; E988-V992 HydrophobicContact CG-CG2 4.32Å; E988-V992 WeakPolarHBondContact O-CB 3.49Å; E988-V992 PolarHBondContact O-N 3.01Å; K990-V992 PolarHBondContact O-N 3.13Å; V992-N996 WeakPolarHBondContact CG1-ND2 3.18Å; V992-N996 WeakPolarHBondContact O-CB 3.31Å; V992-N996 PolarHBondContact O-N 2.96Å; V992-N996 PolarHBondContact O-ND2 3.2Å
993	C	90.9	Very high	92.3	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.041	18%	0.18	C	C	.	.	I	π-helix	trans	-67.5	-53	-174.1	-53.4	0	0	0	0	112.3	Y948 E988 L989 Q995 L997	Y948-C993 WeakPolarHBondContact CD1-SG 3.33Å; E988-C993 PolarHBondContact O-N 3.04Å; L989-C993 HydrophobicContact CD1-CB 4.09Å; L989-C993 VanDerWaalsContact O-CB 3.28Å; L989-C993 WeakPolarHBondContact O-CB 3.43Å; L989-C993 PolarHBondContact O-N 2.72Å; C993-Q995 VanDerWaalsContact C-N 3.33Å; C993-Q995 PolarHBondContact O-N 3.02Å; C993-L997 WeakPolarHBondContact O-CB 3.19Å; C993-L997 WeakPolarHBondContact O-CG 3.44Å; C993-L997 PolarHBondContact O-N 3.41Å
994	F	94.5	Very high	92.5	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.18	C	C	.	.	I	π-helix	trans	-67.2	-36	179.7	-67.2	-5.3	0	0	0	112	L989 K990 R998 M1134 Y1138 V1149 F1153 L1157	L989-F994 HydrophobicContact CD1-CE1 4.11Å; L989-F994 HydrophobicContact CD2-CE1 4.4Å; L989-F994 HydrophobicContact CD2-CZ 4.07Å; L989-F994 HydrophobicContact CG-CD1 4.49Å; L989-F994 HydrophobicContact CG-CE1 3.93Å; L989-F994 HydrophobicContact CG-CZ 3.97Å; L989-F994 WeakPolarHBondContact O-CD1 3.47Å; L989-F994 WeakPolarHBondContact O-CG 2.88Å; L989-F994 PolarHBondContact O-N 3.28Å; K990-F994 HydrophobicContact CB-CD2 4.33Å; K990-F994 HydrophobicContact CG-CD2 3.91Å; K990-F994 HydrophobicContact CG-CE2 4.07Å; F994-R998 VanDerWaalsContact O-CB 3.25Å; F994-R998 WeakPolarHBondContact O-CB 3.44Å; F994-R998 PolarHBondContact O-N 3.03Å; F994-M1134 HydrophobicContact CE1-CB 4.05Å; F994-M1134 HydrophobicContact CE1-CG 4.17Å; F994-M1134 HydrophobicContact CE1-SD 4.11Å; F994-M1134 HydrophobicContact CZ-CB 4.4Å; F994-Y1138 HydrophobicContact CZ-CD1 4.19Å; F994-V1149 HydrophobicContact CD2-CG2 4.09Å; F994-V1149 HydrophobicContact CE2-CG2 4.22Å; F994-F1153 HydrophobicContact CB-CD1 4.2Å; F994-F1153 HydrophobicContact CB-CD2 4.18Å; F994-F1153 HydrophobicContact CB-CE1 3.97Å; F994-F1153 HydrophobicContact CB-CE2 3.93Å; F994-F1153 HydrophobicContact CB-CG 4.33Å; F994-F1153 HydrophobicContact CB-CZ 3.83Å; F994-F1153 HydrophobicContact CD2-CD2 4.43Å; F994-F1153 HydrophobicContact CD2-CE2 4.1Å; F994-L1157 HydrophobicContact CB-CD1 3.98Å; F994-L1157 HydrophobicContact CB-CD2 4.17Å; F994-L1157 HydrophobicContact CD1-CD1 3.97Å; F994-L1157 HydrophobicContact CD1-CD2 4.29Å; F994-L1157 HydrophobicContact CD2-CD2 4.07Å; F994-L1157 HydrophobicContact CG-CD1 4.1Å; F994-L1157 HydrophobicContact CG-CD2 3.93Å
995	Q	93	Very high	92.8	Very high	7 Å²	7	31 Å²	31	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-54.5	174.7	179.5	60.3	26.5	0	0	112.1	P853 K990 T991 C993 L997 R998 E999 F1153	P853-Q995 PolarHBondContact O-NE2 3.36Å; K990-Q995 PolarHBondContact O-N 2.89Å; T991-Q995 VanDerWaalsContact O-CB 3.26Å; T991-Q995 WeakPolarHBondContact O-CB 3.36Å; C993-Q995 VanDerWaalsContact C-N 3.33Å; C993-Q995 PolarHBondContact O-N 3.02Å; Q995-L997 PolarHBondContact O-N 3.43Å; Q995-R998 VanDerWaalsContact CD-NH1 3.25Å; Q995-R998 WeakPolarHBondContact O-CB 3.2Å; Q995-R998 PolarHBondContact O-N 2.97Å; Q995-R998 VanDerWaalsContact O-N 3.15Å; Q995-E999 PolarHBondContact NE2-OE1 3.06Å; Q995-E999 PolarHBondContact O-N 3.5Å; Q995-F1153 HydrophobicContact CB-CE1 4.18Å
996	N	94.6	Very high	93	Very high	20 Å²	20	25.2 Å²	25.2	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-39.2	-179.1	-68.4	-30.4	0	0	0	112	T944 I945 V992 R998 E999 V1000	T944-N996 PolarHBondContact OG1-ND2 3.43Å; I945-N996 HydrophobicContact CD1-CB 4.04Å; I945-N996 HydrophobicContact CG1-CB 3.7Å; V992-N996 WeakPolarHBondContact CG1-ND2 3.18Å; V992-N996 WeakPolarHBondContact O-CB 3.31Å; V992-N996 PolarHBondContact O-N 2.96Å; V992-N996 PolarHBondContact O-ND2 3.2Å; N996-R998 VanDerWaalsContact C-N 3.32Å; N996-E999 PolarHBondContact O-N 2.85Å; N996-V1000 PolarHBondContact O-N 3.38Å; N996-V1000 VanDerWaalsContact O-N 3.14Å
997	L	95.3	Very high	93.1	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-39.2	175.1	-75.6	168.2	0	0	0	111.4	I945 C993 Q995 E999 V1000 G1001 W1131 M1134 L1157 A1160 I1164	I945-L997 HydrophobicContact CD1-CD2 4.19Å; I945-L997 HydrophobicContact CG2-CD2 4.24Å; C993-L997 WeakPolarHBondContact O-CB 3.19Å; C993-L997 WeakPolarHBondContact O-CG 3.44Å; C993-L997 PolarHBondContact O-N 3.41Å; Q995-L997 PolarHBondContact O-N 3.43Å; L997-E999 PolarHBondContact O-N 3.44Å; L997-V1000 PolarHBondContact O-N 2.97Å; L997-G1001 PolarHBondContact O-N 3.21Å; L997-W1131 HydrophobicContact CD1-CZ3 3.93Å; L997-M1134 HydrophobicContact CD1-SD 4.38Å; L997-L1157 HydrophobicContact CB-CD1 3.66Å; L997-L1157 HydrophobicContact CD1-CD1 4.1Å; L997-A1160 HydrophobicContact CB-CB 4.21Å; L997-A1160 HydrophobicContact CD2-CB 4.12Å; L997-A1160 WeakPolarHBondContact O-CB 3.35Å; L997-I1164 HydrophobicContact CD2-CD1 3.95Å
998	R	95.3	Very high	93.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.8	-41.4	176.4	-167.4	-148.5	71.8	-164.1	50.3	112.1	L852 P853 Y855 F994 Q995 N996 V1000 G1001 N1002 F1153	L852-R998 VanDerWaalsContact O-CZ 3.25Å; L852-R998 PolarHBondContact O-NE 3.35Å; L852-R998 PolarHBondContact O-NH2 2.85Å; P853-R998 VanDerWaalsContact C-CZ 3.46Å; P853-R998 VanDerWaalsContact CA-NH2 3.3Å; P853-R998 PolarHBondContact O-NH1 3.47Å; P853-R998 PolarHBondContact O-NH2 2.89Å; Y855-R998 PolarHBondContact O-NE 3.49Å; Y855-R998 PolarHBondContact O-NH2 2.85Å; F994-R998 VanDerWaalsContact O-CB 3.25Å; F994-R998 WeakPolarHBondContact O-CB 3.44Å; F994-R998 PolarHBondContact O-N 3.03Å; Q995-R998 VanDerWaalsContact CD-NH1 3.25Å; Q995-R998 WeakPolarHBondContact O-CB 3.2Å; Q995-R998 PolarHBondContact O-N 2.97Å; Q995-R998 VanDerWaalsContact O-N 3.15Å; N996-R998 VanDerWaalsContact C-N 3.32Å; R998-V1000 VanDerWaalsContact C-N 3.34Å; R998-V1000 PolarHBondContact O-N 2.7Å; R998-G1001 PolarHBondContact O-N 3.23Å; R998-G1001 VanDerWaalsContact O-N 3.16Å; R998-N1002 PolarHBondContact NE-ND2 3.19Å; R998-N1002 WeakPolarHBondContact O-CB 3.45Å; R998-N1002 PolarHBondContact O-N 2.75Å; R998-F1153 HydrophobicContact CB-CB 4.23Å; R998-F1153 HydrophobicContact CB-CD1 4.09Å; R998-F1153 VanDerWaalsContact CD-O 3.25Å; R998-F1153 WeakPolarHBondContact CD-O 3.4Å; R998-F1153 HydrophobicContact CG-CB 3.93Å; R998-F1153 HydrophobicContact CG-CD1 4.42Å; R998-F1153 WeakPolarHBondContact CG-O 3.49Å
999	E	95.9	Very high	93.6	Very high	27 Å²	27	15 Å²	15	13%	0.126	8%	0.079	C	C	.	.	H	α-helix	trans	-58.4	-45.3	174.6	-73	173.4	-148.6	0	0	111.7	L852 P853 L940 Q995 N996 L997 G1001 N1002 A1003	L852-E999 HydrophobicContact CB-CB 4.34Å; L852-E999 HydrophobicContact CB-CG 4.21Å; L852-E999 WeakPolarHBondContact O-CG 3.46Å; P853-E999 HydrophobicContact CB-CG 4.35Å; L940-E999 HydrophobicContact CD1-CB 3.9Å; Q995-E999 PolarHBondContact NE2-OE1 3.06Å; Q995-E999 PolarHBondContact O-N 3.5Å; N996-E999 PolarHBondContact O-N 2.85Å; L997-E999 PolarHBondContact O-N 3.44Å; E999-G1001 VanDerWaalsContact C-N 3.33Å; E999-G1001 PolarHBondContact O-N 2.93Å; E999-N1002 PolarHBondContact O-N 3.22Å; E999-A1003 PolarHBondContact O-N 3.23Å
1000	V	96.7	Very high	93.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-44.8	173.6	171.3	0	0	0	0	111.2	V937 L940 L941 I945 N996 L997 R998 A1003 L1004 A1160 M1163	V937-V1000 HydrophobicContact CG1-CG1 4.06Å; V937-V1000 HydrophobicContact CG2-CG1 4.38Å; L940-V1000 HydrophobicContact CB-CG2 3.9Å; L940-V1000 HydrophobicContact CD1-CG2 3.82Å; L941-V1000 HydrophobicContact CG-CG2 4.5Å; I945-V1000 HydrophobicContact CD1-CG2 3.7Å; N996-V1000 PolarHBondContact O-N 3.38Å; N996-V1000 VanDerWaalsContact O-N 3.14Å; L997-V1000 PolarHBondContact O-N 2.97Å; R998-V1000 VanDerWaalsContact C-N 3.34Å; R998-V1000 PolarHBondContact O-N 2.7Å; V1000-A1003 PolarHBondContact O-N 2.92Å; V1000-L1004 HydrophobicContact CG1-CD1 4.13Å; V1000-L1004 WeakPolarHBondContact O-CG 3.32Å; V1000-L1004 PolarHBondContact O-N 3.08Å; V1000-L1004 VanDerWaalsContact O-N 3.15Å; V1000-A1160 HydrophobicContact CB-CB 4.05Å; V1000-A1160 HydrophobicContact CG1-CB 3.97Å; V1000-M1163 HydrophobicContact CG1-CE 4.3Å
1001	G	96.3	Very high	93.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.9	-43.3	179.5	0	0	0	0	0	113.3	L997 R998 E999 A1003 L1004 L1005 G1156	L997-G1001 PolarHBondContact O-N 3.21Å; R998-G1001 PolarHBondContact O-N 3.23Å; R998-G1001 VanDerWaalsContact O-N 3.16Å; E999-G1001 VanDerWaalsContact C-N 3.33Å; E999-G1001 PolarHBondContact O-N 2.93Å; G1001-A1003 VanDerWaalsContact C-N 3.31Å; G1001-A1003 PolarHBondContact O-N 3.29Å; G1001-L1004 PolarHBondContact O-N 3.37Å; G1001-L1005 WeakPolarHBondContact O-CB 3.48Å; G1001-L1005 VanDerWaalsContact O-CG 3.28Å; G1001-L1005 WeakPolarHBondContact O-CG 3.22Å; G1001-L1005 PolarHBondContact O-N 2.55Å; G1001-G1156 VanDerWaalsContact CA-O 3.31Å; G1001-G1156 WeakPolarHBondContact CA-O 3.4Å
1002	N	96.9	Very high	94.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.8	-37.7	176.3	-74	-13	0	0	0	111.7	F851 L852 Y855 R998 E999 L1005 F1006	F851-N1002 HydrophobicContact CE1-CB 4.31Å; L852-N1002 HydrophobicContact CD2-CB 3.77Å; L852-N1002 PolarHBondContact O-ND2 3.43Å; Y855-N1002 PolarHBondContact O-ND2 2.85Å; R998-N1002 PolarHBondContact NE-ND2 3.19Å; R998-N1002 WeakPolarHBondContact O-CB 3.45Å; R998-N1002 PolarHBondContact O-N 2.75Å; E999-N1002 PolarHBondContact O-N 3.22Å; N1002-L1005 PolarHBondContact O-N 3.47Å; N1002-F1006 WeakPolarHBondContact O-CB 3.43Å; N1002-F1006 PolarHBondContact O-N 3.48Å
1003	A	96.5	Very high	94.3	Very high	3 Å²	3	9.5 Å²	9.5	3%	0.025	5%	0.049	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176.3	0	0	0	0	0	111.8	L852 L933 V937 E999 V1000 G1001 F1006 C1007	L852-A1003 HydrophobicContact CD1-CB 4.46Å; L852-A1003 HydrophobicContact CD2-CB 3.76Å; L852-A1003 VanDerWaalsContact CD2-N 3.3Å; L933-A1003 HydrophobicContact CD2-CB 4.24Å; V937-A1003 HydrophobicContact CG2-CB 3.78Å; E999-A1003 PolarHBondContact O-N 3.23Å; V1000-A1003 PolarHBondContact O-N 2.92Å; G1001-A1003 VanDerWaalsContact C-N 3.31Å; G1001-A1003 PolarHBondContact O-N 3.29Å; A1003-F1006 PolarHBondContact O-N 3.07Å; A1003-C1007 PolarHBondContact O-N 2.98Å; A1003-C1007 VanDerWaalsContact O-N 3.12Å; A1003-C1007 PolarHBondContact O-SG 3.24Å; A1003-C1007 VanDerWaalsContact O-SG 3.39Å
1004	L	95	Very high	94.4	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.016	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-44.3	176.9	-65.9	163.6	0	0	0	112.1	V1000 G1001 F1006 C1007 L1008 I1096 L1097 V1100 M1163	V1000-L1004 HydrophobicContact CG1-CD1 4.13Å; V1000-L1004 WeakPolarHBondContact O-CG 3.32Å; V1000-L1004 PolarHBondContact O-N 3.08Å; V1000-L1004 VanDerWaalsContact O-N 3.15Å; G1001-L1004 PolarHBondContact O-N 3.37Å; L1004-F1006 VanDerWaalsContact C-N 3.28Å; L1004-F1006 PolarHBondContact O-N 2.98Å; L1004-C1007 PolarHBondContact O-N 3.45Å; L1004-L1008 PolarHBondContact O-N 2.98Å; L1004-I1096 HydrophobicContact CD2-CG2 4.12Å; L1004-L1097 HydrophobicContact CD2-CD2 4.49Å; L1004-V1100 HydrophobicContact CD2-CG2 4.42Å; L1004-M1163 HydrophobicContact CD1-CB 4.16Å; L1004-M1163 HydrophobicContact CD1-CE 4.11Å; L1004-M1163 HydrophobicContact CD1-CG 4.02Å; L1004-M1163 HydrophobicContact CD1-SD 3.22Å; L1004-M1163 WeakPolarHBondContact CD1-SD 3.38Å; L1004-M1163 HydrophobicContact CD2-SD 3.92Å; L1004-M1163 HydrophobicContact CG-SD 4.18Å
1005	L	95.6	Very high	94.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-39.5	176.5	-76.6	166.1	0	0	0	111.3	Y857 F864 G1001 N1002 L1008 L1009 W1159	Y857-L1005 HydrophobicContact CD1-CD1 3.48Å; Y857-L1005 VanDerWaalsContact CD1-CD1 3.48Å; Y857-L1005 HydrophobicContact CD1-CD2 3.79Å; Y857-L1005 HydrophobicContact CD1-CG 4.27Å; Y857-L1005 HydrophobicContact CE1-CD1 4.25Å; Y857-L1005 HydrophobicContact CE1-CD2 3.68Å; Y857-L1005 HydrophobicContact CG-CD1 3.69Å; F864-L1005 HydrophobicContact CE1-CD1 4.37Å; F864-L1005 HydrophobicContact CZ-CB 3.95Å; F864-L1005 HydrophobicContact CZ-CD1 4.41Å; G1001-L1005 WeakPolarHBondContact O-CB 3.48Å; G1001-L1005 VanDerWaalsContact O-CG 3.28Å; G1001-L1005 WeakPolarHBondContact O-CG 3.22Å; G1001-L1005 PolarHBondContact O-N 2.55Å; N1002-L1005 PolarHBondContact O-N 3.47Å; L1005-L1008 PolarHBondContact O-N 3.39Å; L1005-L1009 WeakPolarHBondContact O-CB 3.48Å; L1005-L1009 WeakPolarHBondContact O-CG 3.43Å; L1005-L1009 PolarHBondContact O-N 3.47Å; L1005-W1159 HydrophobicContact CD1-CB 4.4Å; L1005-W1159 HydrophobicContact CD1-CG 4.08Å; L1005-W1159 HydrophobicContact CD2-CD2 3.67Å; L1005-W1159 HydrophobicContact CD2-CE3 4.18Å; L1005-W1159 HydrophobicContact CD2-CG 3.99Å; L1005-W1159 HydrophobicContact CD2-CH2 4.39Å; L1005-W1159 HydrophobicContact CD2-CZ2 3.93Å; L1005-W1159 HydrophobicContact CG-CB 4.48Å; L1005-W1159 HydrophobicContact CG-CD2 4.11Å; L1005-W1159 HydrophobicContact CG-CG 4.04Å
1006	F	95.6	Very high	94.2	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.022	9%	0.085	C	C	.	.	H	α-helix	trans	-60.1	-49.6	174	-173.9	-93.2	0	0	0	111.1	L847 F851 M917 V929 L933 N1002 A1003 L1004 L1008 L1009 S1010	L847-F1006 HydrophobicContact CD1-CD1 4.32Å; L847-F1006 HydrophobicContact CD1-CE1 3.78Å; L847-F1006 HydrophobicContact CD1-CE2 4.16Å; L847-F1006 HydrophobicContact CD1-CZ 3.69Å; L847-F1006 HydrophobicContact CD2-CD2 3.76Å; L847-F1006 HydrophobicContact CD2-CE2 3.67Å; L847-F1006 HydrophobicContact CD2-CG 4.26Å; L847-F1006 HydrophobicContact CD2-CZ 4.09Å; L847-F1006 HydrophobicContact CG-CZ 4.5Å; F851-F1006 HydrophobicContact CE1-CB 4.16Å; F851-F1006 HydrophobicContact CE1-CD2 4.12Å; F851-F1006 HydrophobicContact CZ-CD2 4.47Å; M917-F1006 HydrophobicContact SD-CE2 3.9Å; M917-F1006 HydrophobicContact SD-CZ 4.1Å; V929-F1006 HydrophobicContact CG1-CD1 4.49Å; V929-F1006 HydrophobicContact CG1-CE1 3.77Å; L933-F1006 HydrophobicContact CD1-CB 4.42Å; L933-F1006 HydrophobicContact CD1-CD1 3.54Å; L933-F1006 HydrophobicContact CD1-CE1 4.22Å; L933-F1006 HydrophobicContact CD1-CG 4.3Å; N1002-F1006 WeakPolarHBondContact O-CB 3.43Å; N1002-F1006 PolarHBondContact O-N 3.48Å; A1003-F1006 PolarHBondContact O-N 3.07Å; L1004-F1006 VanDerWaalsContact C-N 3.28Å; L1004-F1006 PolarHBondContact O-N 2.98Å; F1006-L1008 VanDerWaalsContact C-N 3.32Å; F1006-L1008 PolarHBondContact O-N 3.32Å; F1006-L1009 PolarHBondContact O-N 3.28Å; F1006-S1010 WeakPolarHBondContact CE1-OG 3.49Å; F1006-S1010 VanDerWaalsContact O-CB 3.29Å; F1006-S1010 WeakPolarHBondContact O-CB 3.48Å; F1006-S1010 PolarHBondContact O-N 3.37Å; F1006-S1010 PolarHBondContact O-OG 2.89Å; F1006-S1010 VanDerWaalsContact O-OG 3.07Å
1007	C	94.5	Very high	94	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.027	9%	0.089	C	C	.	.	H	α-helix	trans	-56.2	-45.6	177	-66.8	0	0	0	0	112.3	M930 A1003 L1004 E1011	M930-C1007 HydrophobicContact CE-CB 4.35Å; M930-C1007 WeakPolarHBondContact CE-O 3.43Å; A1003-C1007 PolarHBondContact O-N 2.98Å; A1003-C1007 VanDerWaalsContact O-N 3.12Å; A1003-C1007 PolarHBondContact O-SG 3.24Å; A1003-C1007 VanDerWaalsContact O-SG 3.39Å; L1004-C1007 PolarHBondContact O-N 3.45Å; C1007-E1011 PolarHBondContact O-N 3.09Å; C1007-E1011 VanDerWaalsContact O-N 3.09Å
1008	L	93.9	Very high	93.9	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-61.1	-49	177.7	177.5	61.6	0	0	0	112.1	L1004 L1005 F1006 E1011 Q1012 F1093 W1159 Y1225	L1004-L1008 PolarHBondContact O-N 2.98Å; L1005-L1008 PolarHBondContact O-N 3.39Å; F1006-L1008 VanDerWaalsContact C-N 3.32Å; F1006-L1008 PolarHBondContact O-N 3.32Å; L1008-E1011 PolarHBondContact O-N 3.34Å; L1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; L1008-Q1012 PolarHBondContact O-N 3.04Å; L1008-Q1012 VanDerWaalsContact O-N 3.09Å; L1008-F1093 HydrophobicContact CB-CD2 3.89Å; L1008-F1093 HydrophobicContact CB-CE2 3.75Å; L1008-F1093 HydrophobicContact CB-CG 4.48Å; L1008-F1093 HydrophobicContact CB-CZ 4.2Å; L1008-F1093 HydrophobicContact CD1-CB 4.48Å; L1008-F1093 HydrophobicContact CD1-CD1 3.97Å; L1008-F1093 HydrophobicContact CD1-CD2 4.26Å; L1008-F1093 HydrophobicContact CD1-CE1 4.2Å; L1008-F1093 HydrophobicContact CD1-CG 3.99Å; L1008-F1093 HydrophobicContact CD1-CZ 4.48Å; L1008-F1093 HydrophobicContact CD2-CZ 4.4Å; L1008-W1159 HydrophobicContact CD2-CH2 3.79Å; L1008-W1159 HydrophobicContact CD2-CZ3 4.2Å; L1008-Y1225 HydrophobicContact CD1-CE2 4.16Å
1009	L	93.6	Very high	93.8	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-73	-32.1	-175.6	-66.6	171.3	0	0	0	112.5	Y857 N862 F864 I914 L1005 F1006 S1013	Y857-L1009 HydrophobicContact CE2-CD1 4.08Å; N862-L1009 WeakPolarHBondContact OD1-CD2 3.34Å; F864-L1009 HydrophobicContact CE2-CD1 3.54Å; F864-L1009 HydrophobicContact CZ-CD1 3.99Å; I914-L1009 HydrophobicContact CD1-CB 3.55Å; I914-L1009 HydrophobicContact CD1-CD1 4.04Å; I914-L1009 HydrophobicContact CD1-CG 4.42Å; L1005-L1009 WeakPolarHBondContact O-CB 3.48Å; L1005-L1009 WeakPolarHBondContact O-CG 3.43Å; L1005-L1009 PolarHBondContact O-N 3.47Å; F1006-L1009 PolarHBondContact O-N 3.28Å; L1009-S1013 WeakPolarHBondContact O-CB 3.22Å; L1009-S1013 PolarHBondContact O-N 3.24Å; L1009-S1013 PolarHBondContact O-OG 2.99Å
1010	S	92.4	Very high	93.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-43.4	172.1	-69.1	0	0	0	0	111.6	F1006 S1013 L1014	F1006-S1010 WeakPolarHBondContact CE1-OG 3.49Å; F1006-S1010 VanDerWaalsContact O-CB 3.29Å; F1006-S1010 WeakPolarHBondContact O-CB 3.48Å; F1006-S1010 PolarHBondContact O-N 3.37Å; F1006-S1010 PolarHBondContact O-OG 2.89Å; F1006-S1010 VanDerWaalsContact O-OG 3.07Å; S1010-S1013 PolarHBondContact O-N 3.15Å; S1010-L1014 WeakPolarHBondContact O-CB 3.42Å; S1010-L1014 PolarHBondContact O-N 3.34Å
1011	E	91.6	Very high	93.3	Very high	19 Å²	19	24.9 Å²	24.9	9%	0.089	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-42.4	174.9	-179.9	176.8	177.1	0	0	112.2	C1007 L1008 S1013 L1014 S1015 S1091 M1092 F1093	C1007-E1011 PolarHBondContact O-N 3.09Å; C1007-E1011 VanDerWaalsContact O-N 3.09Å; L1008-E1011 PolarHBondContact O-N 3.34Å; E1011-S1013 VanDerWaalsContact C-N 3.33Å; E1011-S1013 PolarHBondContact O-N 2.89Å; E1011-L1014 PolarHBondContact O-N 3.24Å; E1011-S1015 WeakPolarHBondContact O-CB 3.38Å; E1011-S1015 PolarHBondContact O-N 2.85Å; E1011-S1015 PolarHBondContact O-OG 2.89Å; E1011-S1091 WeakPolarHBondContact OE1-CA 3.11Å; E1011-S1091 WeakPolarHBondContact OE1-CB 3.36Å; E1011-M1092 HydrophobicContact CB-CE 3.89Å; E1011-M1092 VanDerWaalsContact CD-N 3.32Å; E1011-M1092 HydrophobicContact CG-CE 3.82Å; E1011-M1092 PolarHBondContact OE1-N 3.09Å; E1011-M1092 PolarHBondContact OE2-N 3.11Å; E1011-F1093 VanDerWaalsContact OE2-CB 3.24Å; E1011-F1093 WeakPolarHBondContact OE2-CB 3.34Å; E1011-F1093 PolarHBondContact OE2-N 3.34Å
1012	Q	91.5	Very high	93.2	Very high	72 Å²	72	26.6 Å²	26.6	34%	0.336	15%	0.145	S	C	.	.	H	α-helix	trans	-61.5	-42.8	175.9	-72.3	176.1	6.9	0	0	111.9	L1008 S1015 Q1016	L1008-Q1012 WeakPolarHBondContact O-CG 3.46Å; L1008-Q1012 PolarHBondContact O-N 3.04Å; L1008-Q1012 VanDerWaalsContact O-N 3.09Å; Q1012-S1015 PolarHBondContact O-N 3.26Å; Q1012-Q1016 WeakPolarHBondContact O-CG 3.44Å; Q1012-Q1016 PolarHBondContact O-N 3.16Å; Q1012-Q1016 VanDerWaalsContact O-N 3.11Å
1013	S	91.8	Very high	93.1	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-40.5	179.3	-59.9	0	0	0	0	111.6	I914 L1009 S1010 E1011 Q1016 E1017	I914-S1013 WeakPolarHBondContact CG2-OG 3.36Å; L1009-S1013 WeakPolarHBondContact O-CB 3.22Å; L1009-S1013 PolarHBondContact O-N 3.24Å; L1009-S1013 PolarHBondContact O-OG 2.99Å; S1010-S1013 PolarHBondContact O-N 3.15Å; E1011-S1013 VanDerWaalsContact C-N 3.33Å; E1011-S1013 PolarHBondContact O-N 2.89Å; S1013-Q1016 WeakPolarHBondContact O-CB 3.29Å; S1013-Q1016 PolarHBondContact O-N 3.18Å; S1013-E1017 PolarHBondContact O-N 3.39Å
1014	L	91.9	Very high	92.9	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-44.2	174.6	-175.5	61.5	0	0	0	111.4	Y923 I926 S1010 E1011 Q1016 E1017 E1018 L1086 M1092	Y923-L1014 HydrophobicContact CD1-CD1 4.43Å; Y923-L1014 HydrophobicContact CD1-CD2 4.12Å; Y923-L1014 HydrophobicContact CE1-CD1 3.98Å; Y923-L1014 HydrophobicContact CE1-CD2 3.95Å; Y923-L1014 HydrophobicContact CE1-CG 4.3Å; I926-L1014 HydrophobicContact CD1-CD1 4Å; I926-L1014 HydrophobicContact CD1-CD2 4.04Å; I926-L1014 HydrophobicContact CD1-CG 4.47Å; S1010-L1014 WeakPolarHBondContact O-CB 3.42Å; S1010-L1014 PolarHBondContact O-N 3.34Å; E1011-L1014 PolarHBondContact O-N 3.24Å; L1014-Q1016 VanDerWaalsContact C-N 3.29Å; L1014-Q1016 PolarHBondContact O-N 3.12Å; L1014-E1017 WeakPolarHBondContact O-CB 3.5Å; L1014-E1017 PolarHBondContact O-N 3.09Å; L1014-E1017 VanDerWaalsContact O-N 3.09Å; L1014-E1018 HydrophobicContact CD1-CG 4.42Å; L1014-E1018 HydrophobicContact CG-CG 4.44Å; L1014-E1018 WeakPolarHBondContact O-CG 3.2Å; L1014-E1018 PolarHBondContact O-N 3.43Å; L1014-L1086 HydrophobicContact CD2-CD1 3.73Å; L1014-M1092 HydrophobicContact CD2-CE 3.92Å
1015	S	92.3	Very high	92.8	Very high	40 Å²	40	39.6 Å²	39.6	28%	0.28	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-38.8	176.3	-58.6	0	0	0	0	112.4	E1011 Q1012 E1017 V1019	E1011-S1015 WeakPolarHBondContact O-CB 3.38Å; E1011-S1015 PolarHBondContact O-N 2.85Å; E1011-S1015 PolarHBondContact O-OG 2.89Å; Q1012-S1015 PolarHBondContact O-N 3.26Å; S1015-E1017 VanDerWaalsContact C-N 3.34Å; S1015-V1019 WeakPolarHBondContact O-CG1 3.28Å; S1015-V1019 PolarHBondContact O-N 2.99Å; S1015-V1019 VanDerWaalsContact O-N 3.09Å
1016	Q	90.8	Very high	92.7	Very high	111 Å²	111	40.4 Å²	40.4	52%	0.519	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-33	175.5	-72.4	178.2	11.7	0	0	112.8	Q1012 S1013 L1014 V1019 C1020	Q1012-Q1016 WeakPolarHBondContact O-CG 3.44Å; Q1012-Q1016 PolarHBondContact O-N 3.16Å; Q1012-Q1016 VanDerWaalsContact O-N 3.11Å; S1013-Q1016 WeakPolarHBondContact O-CB 3.29Å; S1013-Q1016 PolarHBondContact O-N 3.18Å; L1014-Q1016 VanDerWaalsContact C-N 3.29Å; L1014-Q1016 PolarHBondContact O-N 3.12Å; Q1016-V1019 WeakPolarHBondContact O-CG1 3.31Å; Q1016-C1020 PolarHBondContact O-N 3.02Å; Q1016-C1020 PolarHBondContact O-SG 3.39Å; Q1016-C1020 VanDerWaalsContact O-SG 3.34Å
1017	E	90.5	Very high	92.6	Very high	39 Å²	39	42.7 Å²	42.7	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-71.4	-49.5	176	-170.9	173.4	156.1	0	0	111.1	C918 R919 S1013 L1014 S1015 V1019 C1020 D1021	C918-E1017 WeakPolarHBondContact CB-OE2 3.43Å; R919-E1017 VanDerWaalsContact CG-CD 3.42Å; R919-E1017 WeakPolarHBondContact CG-OE1 3.31Å; R919-E1017 WeakPolarHBondContact CG-OE2 3.19Å; S1013-E1017 PolarHBondContact O-N 3.39Å; L1014-E1017 WeakPolarHBondContact O-CB 3.5Å; L1014-E1017 PolarHBondContact O-N 3.09Å; L1014-E1017 VanDerWaalsContact O-N 3.09Å; S1015-E1017 VanDerWaalsContact C-N 3.34Å; E1017-V1019 PolarHBondContact O-N 3.03Å; E1017-C1020 WeakPolarHBondContact O-CB 3.39Å; E1017-C1020 PolarHBondContact O-N 3.26Å; E1017-C1020 VanDerWaalsContact O-N 3.08Å; E1017-D1021 PolarHBondContact O-N 2.92Å
1018	E	92.9	Very high	92.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.3	179.7	-70.6	177.8	144.6	0	0	112.9	Y923 L1014 C1020 D1021 L1022 R1085 L1086 C1087	Y923-E1018 WeakPolarHBondContact CE1-OE1 3.36Å; Y923-E1018 VanDerWaalsContact CZ-OE1 3.29Å; Y923-E1018 WeakPolarHBondContact OH-CG 3.26Å; Y923-E1018 PolarHBondContact OH-OE1 3.31Å; L1014-E1018 HydrophobicContact CD1-CG 4.42Å; L1014-E1018 HydrophobicContact CG-CG 4.44Å; L1014-E1018 WeakPolarHBondContact O-CG 3.2Å; L1014-E1018 PolarHBondContact O-N 3.43Å; E1018-C1020 VanDerWaalsContact C-N 3.28Å; E1018-C1020 PolarHBondContact O-N 3.49Å; E1018-D1021 WeakPolarHBondContact O-CB 3.45Å; E1018-D1021 PolarHBondContact O-N 2.86Å; E1018-L1022 WeakPolarHBondContact O-CG 3.42Å; E1018-L1022 PolarHBondContact O-N 2.92Å; E1018-R1085 HydrophobicContact CB-CB 3.95Å; E1018-R1085 HydrophobicContact CB-CG 4.32Å; E1018-R1085 HydrophobicContact CG-CB 4Å; E1018-R1085 HydrophobicContact CG-CG 4.47Å; E1018-L1086 WeakPolarHBondContact OE1-CB 3.33Å; E1018-L1086 PolarHBondContact OE1-N 3.47Å; E1018-L1086 PolarHBondContact OE2-N 3.45Å; E1018-C1087 HydrophobicContact CB-CB 4.37Å; E1018-C1087 WeakPolarHBondContact OE2-CB 3.37Å; E1018-C1087 PolarHBondContact OE2-N 3.06Å
1019	V	93.2	Very high	92.5	Very high	69 Å²	69	48.1 Å²	48.1	42%	0.418	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-34.8	177.2	72.3	0	0	0	0	111.4	S1015 Q1016 E1017 L1022 L1023	S1015-V1019 WeakPolarHBondContact O-CG1 3.28Å; S1015-V1019 PolarHBondContact O-N 2.99Å; S1015-V1019 VanDerWaalsContact O-N 3.09Å; Q1016-V1019 WeakPolarHBondContact O-CG1 3.31Å; E1017-V1019 PolarHBondContact O-N 3.03Å; V1019-L1022 PolarHBondContact O-N 3.31Å; V1019-L1023 VanDerWaalsContact O-CG 3.24Å; V1019-L1023 WeakPolarHBondContact O-CG 3.33Å; V1019-L1023 PolarHBondContact O-N 3.26Å
1020	C	91.7	Very high	92.5	Very high	54 Å²	54	49.7 Å²	49.7	37%	0.365	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-40.9	173.1	-75.6	0	0	0	0	111.4	Q1016 E1017 E1018 L1023 H1024	Q1016-C1020 PolarHBondContact O-N 3.02Å; Q1016-C1020 PolarHBondContact O-SG 3.39Å; Q1016-C1020 VanDerWaalsContact O-SG 3.34Å; E1017-C1020 WeakPolarHBondContact O-CB 3.39Å; E1017-C1020 PolarHBondContact O-N 3.26Å; E1017-C1020 VanDerWaalsContact O-N 3.08Å; E1018-C1020 VanDerWaalsContact C-N 3.28Å; E1018-C1020 PolarHBondContact O-N 3.49Å; C1020-L1023 PolarHBondContact O-N 3.31Å; C1020-H1024 PolarHBondContact O-N 2.92Å; C1020-H1024 PolarHBondContact O-ND1 3.44Å
1021	D	91.6	Very high	92.5	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-46.9	175.7	-68.4	-15.5	0	0	0	111.4	E1017 E1018 L1023 H1024 A1025 R1085	E1017-D1021 PolarHBondContact O-N 2.92Å; E1018-D1021 WeakPolarHBondContact O-CB 3.45Å; E1018-D1021 PolarHBondContact O-N 2.86Å; D1021-L1023 VanDerWaalsContact C-N 3.29Å; D1021-L1023 PolarHBondContact O-N 3.36Å; D1021-H1024 PolarHBondContact O-N 3.41Å; D1021-H1024 VanDerWaalsContact O-N 3.08Å; D1021-A1025 WeakPolarHBondContact O-CB 3.46Å; D1021-A1025 PolarHBondContact O-N 3.44Å; D1021-R1085 IonicContact OD2-CZ 3.54Å; D1021-R1085 IonicContact OD2-NH2 3.26Å; D1021-R1085 PolarHBondContact OD2-NH2 3.08Å
1022	L	93.4	Very high	92.5	Very high	36 Å²	36	55 Å²	55	19%	0.188	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-37.5	178.3	-71	172.2	0	0	0	112.3	E1018 V1019 H1024 A1025 A1026 T1082 R1085	E1018-L1022 WeakPolarHBondContact O-CG 3.42Å; E1018-L1022 PolarHBondContact O-N 2.92Å; V1019-L1022 PolarHBondContact O-N 3.31Å; L1022-H1024 VanDerWaalsContact C-N 3.32Å; L1022-H1024 PolarHBondContact O-N 3.17Å; L1022-A1025 PolarHBondContact O-N 3.47Å; L1022-A1026 WeakPolarHBondContact O-CB 3.35Å; L1022-A1026 PolarHBondContact O-N 3.47Å; L1022-T1082 VanDerWaalsContact CD2-O 3.3Å; L1022-T1082 WeakPolarHBondContact CD2-O 3.44Å; L1022-R1085 HydrophobicContact CD1-CB 4.39Å; L1022-R1085 HydrophobicContact CD1-CG 4.18Å; L1022-R1085 HydrophobicContact CD2-CG 3.97Å; L1022-R1085 HydrophobicContact CG-CG 4.02Å
1023	L	93.9	Very high	92.5	Very high	123 Å²	123	56.4 Å²	56.4	64%	0.644	31%	0.307	S	S	*	.	H	α-helix	trans	-64.5	-35.7	175.5	-73.5	171.3	0	0	0	112.5	V1019 C1020 D1021	V1019-L1023 VanDerWaalsContact O-CG 3.24Å; V1019-L1023 WeakPolarHBondContact O-CG 3.33Å; V1019-L1023 PolarHBondContact O-N 3.26Å; C1020-L1023 PolarHBondContact O-N 3.31Å; D1021-L1023 VanDerWaalsContact C-N 3.29Å; D1021-L1023 PolarHBondContact O-N 3.36Å
1024	H	92.4	Very high	92.4	Very high	145 Å²	145	66.2 Å²	66.2	67%	0.671	34%	0.342	S	S	*	.	H	α-helix	trans	-77.1	-30.6	174.9	-69.5	91	0	0	0	112.4	C1020 D1021 L1022 P1027	C1020-H1024 PolarHBondContact O-N 2.92Å; C1020-H1024 PolarHBondContact O-ND1 3.44Å; D1021-H1024 PolarHBondContact O-N 3.41Å; D1021-H1024 VanDerWaalsContact O-N 3.08Å; L1022-H1024 VanDerWaalsContact C-N 3.32Å; L1022-H1024 PolarHBondContact O-N 3.17Å; H1024-P1027 WeakPolarHBondContact O-CD 3.34Å
1025	A	93.2	Very high	92.3	Very high	11 Å²	11	67.5 Å²	67.5	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-74.8	-30.9	177	0	0	0	0	0	113.1	D1021 L1022 P1027 F1028 Q1029 T1082	D1021-A1025 WeakPolarHBondContact O-CB 3.46Å; D1021-A1025 PolarHBondContact O-N 3.44Å; L1022-A1025 PolarHBondContact O-N 3.47Å; A1025-P1027 VanDerWaalsContact C-CD 3.47Å; A1025-P1027 VanDerWaalsContact O-N 3.15Å; A1025-F1028 PolarHBondContact O-N 3Å; A1025-Q1029 HydrophobicContact CB-CG 4.46Å; A1025-Q1029 PolarHBondContact O-N 3.25Å; A1025-Q1029 VanDerWaalsContact O-N 3.15Å; A1025-T1082 HydrophobicContact CB-CG2 3.42Å; A1025-T1082 VanDerWaalsContact CB-CG2 3.42Å
1026	A	93.7	Very high	92.2	Very high	17 Å²	17	72.4 Å²	72.4	14%	0.14	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-44.8	-48.6	-173.6	0	0	0	0	0	115.1	L1022 F1028 Q1029 N1030 I1031	L1022-A1026 WeakPolarHBondContact O-CB 3.35Å; L1022-A1026 PolarHBondContact O-N 3.47Å; A1026-F1028 VanDerWaalsContact C-N 3.27Å; A1026-F1028 PolarHBondContact O-N 3.12Å; A1026-Q1029 PolarHBondContact O-N 3.26Å; A1026-N1030 PolarHBondContact O-N 2.99Å; A1026-I1031 HydrophobicContact CB-CB 3.9Å; A1026-I1031 HydrophobicContact CB-CG2 4.25Å; A1026-I1031 PolarHBondContact O-N 3.34Å
1027	P	93.3	Very high	92.1	Very high	54 Å²	54	69.4 Å²	69.4	35%	0.351	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-61.7	-31.8	179.1	-23.6	34.9	0	0	0	114.1	H1024 A1025	H1024-P1027 WeakPolarHBondContact O-CD 3.34Å; A1025-P1027 VanDerWaalsContact C-CD 3.47Å; A1025-P1027 VanDerWaalsContact O-N 3.15Å
1028	F	94.6	Very high	91.9	Very high	100 Å²	100	74.2 Å²	74.2	44%	0.439	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-85.8	-18.3	-177.9	-55.9	-72	0	0	0	112.8	A1025 A1026 H1058 M1059	A1025-F1028 PolarHBondContact O-N 3Å; A1026-F1028 VanDerWaalsContact C-N 3.27Å; A1026-F1028 PolarHBondContact O-N 3.12Å; F1028-H1058 PolarHBondContact O-CD2 3.11Å; F1028-M1059 HydrophobicContact CB-CG 3.84Å; F1028-M1059 HydrophobicContact CD1-CG 3.96Å; F1028-M1059 HydrophobicContact CG-CG 4.25Å; F1028-M1059 PolarHBondContact O-N 3.38Å; F1028-M1059 VanDerWaalsContact O-N 3.08Å
1029	Q	93.2	Very high	90.9	Very high	27 Å²	27	82.4 Å²	82.4	13%	0.126	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	11.6	178	-60.1	-171.9	-45.8	0	0	113.1	A1025 A1026 I1031 D1079	A1025-Q1029 HydrophobicContact CB-CG 4.46Å; A1025-Q1029 PolarHBondContact O-N 3.25Å; A1025-Q1029 VanDerWaalsContact O-N 3.15Å; A1026-Q1029 PolarHBondContact O-N 3.26Å; Q1029-I1031 VanDerWaalsContact C-N 3.29Å; Q1029-I1031 HydrophobicContact CB-CD1 4.29Å; Q1029-I1031 HydrophobicContact CB-CG1 4.32Å; Q1029-I1031 PolarHBondContact O-N 3.36Å; Q1029-D1079 WeakPolarHBondContact CG-OD1 3.4Å; Q1029-D1079 PolarHBondContact NE2-O 3.23Å; Q1029-D1079 PolarHBondContact NE2-OD1 2.75Å
1030	N	92.4	Very high	90.4	Very high	39 Å²	39	83.3 Å²	83.3	21%	0.209	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	31	179.7	-163.5	40.8	0	0	0	114.5	A1026 E1051	A1026-N1030 PolarHBondContact O-N 2.99Å; N1030-E1051 PolarHBondContact ND2-OE1 3.21Å
1031	I	92.9	Very high	90.2	Very high	98 Å²	98	84.6 Å²	84.6	50%	0.503	45%	0.446	S	S	.	.			trans	-96.1	113.1	175.8	-57.9	173.7	0	0	0	108.6	A1026 Q1029	A1026-I1031 HydrophobicContact CB-CB 3.9Å; A1026-I1031 HydrophobicContact CB-CG2 4.25Å; A1026-I1031 PolarHBondContact O-N 3.34Å; Q1029-I1031 VanDerWaalsContact C-N 3.29Å; Q1029-I1031 HydrophobicContact CB-CD1 4.29Å; Q1029-I1031 HydrophobicContact CB-CG1 4.32Å; Q1029-I1031 PolarHBondContact O-N 3.36Å
1032	L	91.1	Very high	89.9	Confident	36 Å²	36	91.3 Å²	91.3	19%	0.188	47%	0.466	C	S	.	.			trans	-113.2	139.2	-177.5	-65.4	175.1	0	0	0	111.7	M1047 L1050 E1051 Y1054	L1032-M1047 HydrophobicContact CB-CE 4.03Å; L1032-L1050 HydrophobicContact CD1-CB 4.17Å; L1032-L1050 HydrophobicContact CD1-CD2 4.23Å; L1032-L1050 HydrophobicContact CD1-CG 3.98Å; L1032-E1051 HydrophobicContact CD1-CB 4.22Å; L1032-Y1054 HydrophobicContact CD1-CD2 4.39Å; L1032-Y1054 HydrophobicContact CD2-CD2 3.7Å; L1032-Y1054 HydrophobicContact CD2-CE2 4.24Å; L1032-Y1054 HydrophobicContact CD2-CG 4.27Å
1033	P	92.1	Very high	89.6	Confident	103 Å²	103	92.2 Å²	92.2	67%	0.669	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-69.3	156.5	175.1	30.6	-35.2	0	0	0	111	V1035	P1033-V1035 PolarHBondContact O-N 2.95Å
1034	R	89.6	Confident	89.2	Confident	215 Å²	215	91.9 Å²	91.9	81%	0.811	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-61.6	119.1	176.5	-172.2	175.9	-178.5	-179.1	0.3	110.6	L1043	R1034-L1043 HydrophobicContact CG-CD1 4.22Å
1035	V	89.1	Confident	88.9	Confident	37 Å²	37	87.3 Å²	87.3	22%	0.224	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-82.4	145.1	-178.9	68.5	0	0	0	0	112	P1033 V1037 L1043 K1046 M1047 L1050	P1033-V1035 PolarHBondContact O-N 2.95Å; V1035-V1037 PolarHBondContact O-N 3.2Å; V1035-L1043 HydrophobicContact CG1-CD1 4.11Å; V1035-K1046 HydrophobicContact CG1-CB 4.1Å; V1035-K1046 HydrophobicContact CG1-CD 3.87Å; V1035-K1046 HydrophobicContact CG1-CG 3.83Å; V1035-K1046 HydrophobicContact CG2-CD 4.15Å; V1035-K1046 HydrophobicContact CG2-CG 4.46Å; V1035-M1047 HydrophobicContact CB-SD 4.35Å; V1035-M1047 HydrophobicContact CG1-CG 4.31Å; V1035-M1047 HydrophobicContact CG1-SD 3.82Å; V1035-L1050 HydrophobicContact CB-CD2 4.44Å
1036	H	90.1	Very high	88.7	Confident	143 Å²	143	89.3 Å²	89.3	66%	0.662	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-65.3	130.8	172.4	178.2	65.4	0	0	0	111	K1046	H1036-K1046 WeakPolarHBondContact O-CE 3.05Å; H1036-K1046 PolarHBondContact O-NZ 3.1Å
1037	V	90.1	Very high	88.5	Confident	47 Å²	47	90.9 Å²	90.9	29%	0.285	47%	0.469	S	S	.	.			trans	-110.5	122.6	-177.4	-175.1	0	0	0	0	108.5	V1035 E1041 L1043	V1035-V1037 PolarHBondContact O-N 3.2Å; V1037-E1041 HydrophobicContact CG1-CB 3.64Å; V1037-E1041 WeakPolarHBondContact CG1-O 3.23Å; V1037-L1043 HydrophobicContact CG2-CB 3.96Å; V1037-L1043 HydrophobicContact CG2-CD1 3.57Å; V1037-L1043 HydrophobicContact CG2-CG 4.37Å
1038	K	86.6	Confident	88.3	Confident	140 Å²	140	95.3 Å²	95.3	61%	0.609	48%	0.483	S	S	*	.			trans	-83.4	161	176	-68.4	-176.1	176.5	-177.1	0	110.7	G1040 E1041	K1038-G1040 PolarHBondContact O-N 3.45Å; K1038-E1041 PolarHBondContact N-OE2 3.12Å; K1038-E1041 WeakPolarHBondContact O-CB 3.34Å; K1038-E1041 PolarHBondContact O-N 2.85Å
1039	D	71.1	Confident	88	Confident	175 Å²	175	99.4 Å²	99.4	94%	0.936	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	124	175.7	-71.7	-27	0	0	0	111
1040	G	81.6	Confident	87.8	Confident	88 Å²	88	100 Å²	100	91%	0.907	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-7	-175.4	0	0	0	0	0	115.6	K1038	K1038-G1040 PolarHBondContact O-N 3.45Å
1041	E	87.7	Confident	87.8	Confident	80 Å²	80	102.2 Å²	102.2	37%	0.374	51%	0.508	S	S	.	.			trans	-98.7	149.2	174	-64.3	-179.9	154.5	0	0	111.9	V1037 K1038 K1046	V1037-E1041 HydrophobicContact CG1-CB 3.64Å; V1037-E1041 WeakPolarHBondContact CG1-O 3.23Å; K1038-E1041 PolarHBondContact N-OE2 3.12Å; K1038-E1041 WeakPolarHBondContact O-CB 3.34Å; K1038-E1041 PolarHBondContact O-N 2.85Å; E1041-K1046 IonicContact OE1-NZ 3.84Å; E1041-K1046 WeakPolarHBondContact OE2-CD 3.45Å; E1041-K1046 WeakPolarHBondContact OE2-CE 3.42Å; E1041-K1046 IonicContact OE2-NZ 2.7Å; E1041-K1046 PolarHBondContact OE2-NZ 2.85Å
1042	R	85.6	Confident	87.6	Confident	203 Å²	203	100.7 Å²	100.7	77%	0.766	51%	0.51	S	S	*	.			trans	-102.2	136.3	170.3	-66.4	-174.5	-178.6	-177.5	0.6	110	D1044 A1045 K1046	R1042-D1044 VanDerWaalsContact C-N 3.32Å; R1042-D1044 PolarHBondContact O-N 3.45Å; R1042-A1045 HydrophobicContact CB-CB 4.24Å; R1042-A1045 PolarHBondContact O-N 3.24Å; R1042-K1046 PolarHBondContact O-N 3.11Å; R1042-K1046 VanDerWaalsContact O-N 3.11Å
1043	L	86.6	Confident	87.7	Confident	55 Å²	55	105.8 Å²	105.8	29%	0.288	53%	0.531	S	S	.	.	H	α-helix	trans	-53.7	-48.3	179.2	-178.1	63.2	0	0	0	111.5	R1034 V1035 V1037 A1045 K1046 M1047	R1034-L1043 HydrophobicContact CG-CD1 4.22Å; V1035-L1043 HydrophobicContact CG1-CD1 4.11Å; V1037-L1043 HydrophobicContact CG2-CB 3.96Å; V1037-L1043 HydrophobicContact CG2-CD1 3.57Å; V1037-L1043 HydrophobicContact CG2-CG 4.37Å; L1043-A1045 VanDerWaalsContact C-N 3.34Å; L1043-A1045 PolarHBondContact O-N 3.39Å; L1043-K1046 PolarHBondContact O-N 3.31Å; L1043-K1046 VanDerWaalsContact O-N 3.15Å; L1043-M1047 HydrophobicContact CD1-CG 3.97Å; L1043-M1047 HydrophobicContact CG-CG 4.17Å; L1043-M1047 WeakPolarHBondContact O-CB 3.37Å; L1043-M1047 WeakPolarHBondContact O-CG 3.4Å; L1043-M1047 PolarHBondContact O-N 3.47Å
1044	D	86.4	Confident	87.7	Confident	117 Å²	117	104.9 Å²	104.9	63%	0.626	52%	0.515	S	S	*	.	H	α-helix	trans	-61.6	-41.1	-177.9	-54.2	-33.8	0	0	0	112.6	R1042 K1046 K1048	R1042-D1044 VanDerWaalsContact C-N 3.32Å; R1042-D1044 PolarHBondContact O-N 3.45Å; D1044-K1046 VanDerWaalsContact C-N 3.31Å; D1044-K1046 PolarHBondContact O-N 3.28Å; D1044-K1048 WeakPolarHBondContact O-CB 3.24Å; D1044-K1048 WeakPolarHBondContact O-CG 3.38Å; D1044-K1048 PolarHBondContact O-N 3Å
1045	A	86.8	Confident	87.7	Confident	48 Å²	48	98.4 Å²	98.4	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-36.1	178.9	0	0	0	0	0	111.4	R1042 L1043 R1049	R1042-A1045 HydrophobicContact CB-CB 4.24Å; R1042-A1045 PolarHBondContact O-N 3.24Å; L1043-A1045 VanDerWaalsContact C-N 3.34Å; L1043-A1045 PolarHBondContact O-N 3.39Å; A1045-R1049 WeakPolarHBondContact O-CG 3.49Å; A1045-R1049 PolarHBondContact O-N 3.47Å
1046	K	88.3	Confident	87.7	Confident	53 Å²	53	100.2 Å²	100.2	23%	0.23	52%	0.518	C	S	.	.	H	α-helix	trans	-77	-40.1	179.4	-161.5	170.3	-172.9	168.2	0	112.3	V1035 H1036 E1041 R1042 L1043 D1044 R1049 L1050	V1035-K1046 HydrophobicContact CG1-CB 4.1Å; V1035-K1046 HydrophobicContact CG1-CD 3.87Å; V1035-K1046 HydrophobicContact CG1-CG 3.83Å; V1035-K1046 HydrophobicContact CG2-CD 4.15Å; V1035-K1046 HydrophobicContact CG2-CG 4.46Å; H1036-K1046 WeakPolarHBondContact O-CE 3.05Å; H1036-K1046 PolarHBondContact O-NZ 3.1Å; E1041-K1046 IonicContact OE1-NZ 3.84Å; E1041-K1046 WeakPolarHBondContact OE2-CD 3.45Å; E1041-K1046 WeakPolarHBondContact OE2-CE 3.42Å; E1041-K1046 IonicContact OE2-NZ 2.7Å; E1041-K1046 PolarHBondContact OE2-NZ 2.85Å; R1042-K1046 PolarHBondContact O-N 3.11Å; R1042-K1046 VanDerWaalsContact O-N 3.11Å; L1043-K1046 PolarHBondContact O-N 3.31Å; L1043-K1046 VanDerWaalsContact O-N 3.15Å; D1044-K1046 VanDerWaalsContact C-N 3.31Å; D1044-K1046 PolarHBondContact O-N 3.28Å; K1046-R1049 PolarHBondContact O-N 3.12Å; K1046-L1050 PolarHBondContact O-N 3.39Å
1047	M	89.3	Confident	87.8	Confident	50 Å²	50	97 Å²	97	25%	0.246	51%	0.505	C	S	.	.	H	α-helix	trans	-61	-45.8	174.2	-73.8	-62.9	-63.6	0	0	111.2	L1032 V1035 L1043 R1049 L1050 E1051	L1032-M1047 HydrophobicContact CB-CE 4.03Å; V1035-M1047 HydrophobicContact CB-SD 4.35Å; V1035-M1047 HydrophobicContact CG1-CG 4.31Å; V1035-M1047 HydrophobicContact CG1-SD 3.82Å; L1043-M1047 HydrophobicContact CD1-CG 3.97Å; L1043-M1047 HydrophobicContact CG-CG 4.17Å; L1043-M1047 WeakPolarHBondContact O-CB 3.37Å; L1043-M1047 WeakPolarHBondContact O-CG 3.4Å; L1043-M1047 PolarHBondContact O-N 3.47Å; M1047-R1049 VanDerWaalsContact C-N 3.34Å; M1047-R1049 PolarHBondContact O-N 2.99Å; M1047-L1050 WeakPolarHBondContact O-CB 3.35Å; M1047-L1050 PolarHBondContact O-N 3.11Å; M1047-L1050 VanDerWaalsContact O-N 3.09Å; M1047-E1051 WeakPolarHBondContact O-CB 3.33Å; M1047-E1051 PolarHBondContact O-N 3.19Å
1048	K	89.6	Confident	88	Confident	147 Å²	147	96.9 Å²	96.9	64%	0.639	50%	0.501	S	S	*	.	H	α-helix	trans	-61.7	-37.3	175.7	-75.3	-176.4	178	-173.9	0	113.6	D1044 L1050 A1052	D1044-K1048 WeakPolarHBondContact O-CB 3.24Å; D1044-K1048 WeakPolarHBondContact O-CG 3.38Å; D1044-K1048 PolarHBondContact O-N 3Å; K1048-L1050 VanDerWaalsContact C-N 3.33Å; K1048-A1052 WeakPolarHBondContact O-CB 3.22Å; K1048-A1052 PolarHBondContact O-N 3.42Å
1049	R	88.4	Confident	88.2	Confident	187 Å²	187	94.4 Å²	94.4	71%	0.706	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-37.3	173.9	-74.4	175.9	-174.5	178.4	2.1	111.9	A1045 K1046 M1047 K1053	A1045-R1049 WeakPolarHBondContact O-CG 3.49Å; A1045-R1049 PolarHBondContact O-N 3.47Å; K1046-R1049 PolarHBondContact O-N 3.12Å; M1047-R1049 VanDerWaalsContact C-N 3.34Å; M1047-R1049 PolarHBondContact O-N 2.99Å; R1049-K1053 PolarHBondContact O-N 2.87Å; R1049-K1053 VanDerWaalsContact O-N 3.15Å
1050	L	89.1	Confident	89.3	Confident	40 Å²	40	87 Å²	87	21%	0.209	45%	0.454	C	S	.	.	H	α-helix	trans	-72	-40.2	178.2	-164	64.2	0	0	0	111.5	L1032 V1035 K1046 M1047 K1048 K1053 Y1054	L1032-L1050 HydrophobicContact CD1-CB 4.17Å; L1032-L1050 HydrophobicContact CD1-CD2 4.23Å; L1032-L1050 HydrophobicContact CD1-CG 3.98Å; V1035-L1050 HydrophobicContact CB-CD2 4.44Å; K1046-L1050 PolarHBondContact O-N 3.39Å; M1047-L1050 WeakPolarHBondContact O-CB 3.35Å; M1047-L1050 PolarHBondContact O-N 3.11Å; M1047-L1050 VanDerWaalsContact O-N 3.09Å; K1048-L1050 VanDerWaalsContact C-N 3.33Å; L1050-K1053 HydrophobicContact CD1-CD 4.37Å; L1050-K1053 WeakPolarHBondContact O-CB 3.39Å; L1050-K1053 PolarHBondContact O-N 3.35Å; L1050-K1053 VanDerWaalsContact O-N 3.15Å; L1050-Y1054 HydrophobicContact CD1-CD2 4.18Å; L1050-Y1054 HydrophobicContact CD1-CE2 3.69Å; L1050-Y1054 HydrophobicContact CG-CD2 4.08Å; L1050-Y1054 HydrophobicContact CG-CE2 3.98Å; L1050-Y1054 VanDerWaalsContact O-CD2 3.29Å; L1050-Y1054 WeakPolarHBondContact O-CD2 3.4Å; L1050-Y1054 PolarHBondContact O-N 3.28Å; L1050-Y1054 VanDerWaalsContact O-N 3.13Å
1051	E	91.3	Very high	89.9	Confident	84 Å²	84	85.4 Å²	85.4	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-58.7	-46.9	171.7	-174.9	175.9	-164	0	0	111.3	N1030 L1032 M1047 K1053 Y1054 T1055	N1030-E1051 PolarHBondContact ND2-OE1 3.21Å; L1032-E1051 HydrophobicContact CD1-CB 4.22Å; M1047-E1051 WeakPolarHBondContact O-CB 3.33Å; M1047-E1051 PolarHBondContact O-N 3.19Å; E1051-K1053 PolarHBondContact O-N 3.44Å; E1051-Y1054 CarbonylContact O-C 3.55Å; E1051-Y1054 PolarHBondContact O-N 3.01Å; E1051-Y1054 VanDerWaalsContact O-N 3.1Å; E1051-T1055 PolarHBondContact O-N 2.98Å; E1051-T1055 PolarHBondContact O-OG1 2.77Å
1052	A	90.3	Very high	90.2	Very high	66 Å²	66	84.1 Å²	84.1	55%	0.545	42%	0.423	S	S	.	.	H	α-helix	trans	-58.6	-35.7	174.6	0	0	0	0	0	112.7	K1048 T1055	K1048-A1052 WeakPolarHBondContact O-CB 3.22Å; K1048-A1052 PolarHBondContact O-N 3.42Å; A1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; A1052-T1055 PolarHBondContact O-OG1 3.2Å
1053	K	91.4	Very high	90.6	Very high	144 Å²	144	76.3 Å²	76.3	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-66.4	-38.7	176.2	-178.6	-175.5	176.3	-173.2	0	112.3	R1049 L1050 E1051	R1049-K1053 PolarHBondContact O-N 2.87Å; R1049-K1053 VanDerWaalsContact O-N 3.15Å; L1050-K1053 HydrophobicContact CD1-CD 4.37Å; L1050-K1053 WeakPolarHBondContact O-CB 3.39Å; L1050-K1053 PolarHBondContact O-N 3.35Å; L1050-K1053 VanDerWaalsContact O-N 3.15Å; E1051-K1053 PolarHBondContact O-N 3.44Å
1054	Y	92.6	Very high	90.9	Very high	84 Å²	84	77.4 Å²	77.4	33%	0.329	40%	0.4	S	S	.	.	H	α-helix	trans	-97.1	0.1	-176.4	-70.2	-69.3	0	0	0	114.3	L1032 L1050 E1051 A1056 L1057	L1032-Y1054 HydrophobicContact CD1-CD2 4.39Å; L1032-Y1054 HydrophobicContact CD2-CD2 3.7Å; L1032-Y1054 HydrophobicContact CD2-CE2 4.24Å; L1032-Y1054 HydrophobicContact CD2-CG 4.27Å; L1050-Y1054 HydrophobicContact CD1-CD2 4.18Å; L1050-Y1054 HydrophobicContact CD1-CE2 3.69Å; L1050-Y1054 HydrophobicContact CG-CD2 4.08Å; L1050-Y1054 HydrophobicContact CG-CE2 3.98Å; L1050-Y1054 VanDerWaalsContact O-CD2 3.29Å; L1050-Y1054 WeakPolarHBondContact O-CD2 3.4Å; L1050-Y1054 PolarHBondContact O-N 3.28Å; L1050-Y1054 VanDerWaalsContact O-N 3.13Å; E1051-Y1054 CarbonylContact O-C 3.55Å; E1051-Y1054 PolarHBondContact O-N 3.01Å; E1051-Y1054 VanDerWaalsContact O-N 3.1Å; Y1054-A1056 PolarHBondContact O-N 3.04Å; Y1054-L1057 HydrophobicContact CD1-CD1 3.68Å; Y1054-L1057 HydrophobicContact CD1-CG 4.44Å; Y1054-L1057 HydrophobicContact CE1-CD1 4.28Å; Y1054-L1057 WeakPolarHBondContact O-CB 3.41Å; Y1054-L1057 PolarHBondContact O-N 2.68Å
1055	T	90.9	Very high	91.3	Very high	79 Å²	79	80.6 Å²	80.6	49%	0.485	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-53.1	-32.5	178.1	-60.1	0	0	0	0	112.6	E1051 A1052 L1057 H1058	E1051-T1055 PolarHBondContact O-N 2.98Å; E1051-T1055 PolarHBondContact O-OG1 2.77Å; A1052-T1055 WeakPolarHBondContact CA-OG1 3.29Å; A1052-T1055 PolarHBondContact O-OG1 3.2Å; T1055-L1057 PolarHBondContact O-N 3.49Å; T1055-H1058 WeakPolarHBondContact O-CB 3.45Å; T1055-H1058 PolarHBondContact O-N 2.93Å
1056	A	88.3	Confident	91.6	Very high	75 Å²	75	84.5 Å²	84.5	62%	0.62	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.9	177.5	0	0	0	0	0	114.4	Y1054	Y1054-A1056 PolarHBondContact O-N 3.04Å
1057	L	91.8	Very high	91.9	Very high	74 Å²	74	83 Å²	83	39%	0.387	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-91.4	-11	177.1	-56	-174.6	0	0	0	112.9	Y1054 T1055 M1059	Y1054-L1057 HydrophobicContact CD1-CD1 3.68Å; Y1054-L1057 HydrophobicContact CD1-CG 4.44Å; Y1054-L1057 HydrophobicContact CE1-CD1 4.28Å; Y1054-L1057 WeakPolarHBondContact O-CB 3.41Å; Y1054-L1057 PolarHBondContact O-N 2.68Å; T1055-L1057 PolarHBondContact O-N 3.49Å; L1057-M1059 PolarHBondContact O-N 3.34Å
1058	H	93.8	Very high	92.1	Very high	46 Å²	46	83.4 Å²	83.4	21%	0.213	42%	0.422	C	S	.	.			trans	-70.4	105.6	-176.9	-167	178.2	0	0	0	110	F1028 T1055 P1061 L1062	F1028-H1058 PolarHBondContact O-CD2 3.11Å; T1055-H1058 WeakPolarHBondContact O-CB 3.45Å; T1055-H1058 PolarHBondContact O-N 2.93Å; H1058-P1061 WeakPolarHBondContact CD2-CD 3.37Å; H1058-P1061 VanDerWaalsContact CE1-CG 3.49Å; H1058-P1061 WeakPolarHBondContact CE1-CG 3.49Å; H1058-P1061 WeakPolarHBondContact ND1-CG 3.37Å; H1058-P1061 WeakPolarHBondContact NE2-CD 3.3Å; H1058-L1062 VanDerWaalsContact O-CB 3.29Å; H1058-L1062 WeakPolarHBondContact O-CB 3.32Å; H1058-L1062 PolarHBondContact O-N 3.12Å
1059	M	91.5	Very high	92.4	Very high	88 Å²	88	81.4 Å²	81.4	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-66.9	-49.1	-163.9	-81.4	-67	-65.8	0	0	113.5	F1028 L1057 L1062 I1063	F1028-M1059 HydrophobicContact CB-CG 3.84Å; F1028-M1059 HydrophobicContact CD1-CG 3.96Å; F1028-M1059 HydrophobicContact CG-CG 4.25Å; F1028-M1059 PolarHBondContact O-N 3.38Å; F1028-M1059 VanDerWaalsContact O-N 3.08Å; L1057-M1059 PolarHBondContact O-N 3.34Å; M1059-L1062 PolarHBondContact O-N 3.29Å; M1059-I1063 HydrophobicContact CE-CD1 3.89Å; M1059-I1063 WeakPolarHBondContact O-CG1 3.36Å; M1059-I1063 PolarHBondContact O-N 3.2Å
1060	V	94.1	Very high	92.7	Very high	20 Å²	20	79 Å²	79	12%	0.121	42%	0.421	C	S	.	.	H	α-helix	trans	-63.6	-51.4	-175.2	174.8	0	0	0	0	111.6	L1062 I1063 E1064 R1076 D1079	V1060-L1062 VanDerWaalsContact C-N 3.26Å; V1060-L1062 PolarHBondContact O-N 2.84Å; V1060-I1063 PolarHBondContact O-N 2.99Å; V1060-E1064 HydrophobicContact CG1-CG 4.26Å; V1060-E1064 WeakPolarHBondContact O-CB 3.47Å; V1060-E1064 WeakPolarHBondContact O-CG 3.46Å; V1060-E1064 PolarHBondContact O-N 3.28Å; V1060-R1076 HydrophobicContact CG1-CG 4.07Å; V1060-D1079 HydrophobicContact CG2-CB 3.72Å
1061	P	94.2	Very high	92.9	Very high	54 Å²	54	82 Å²	82	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-30.1	176.7	-26.4	38.4	0	0	0	113.9	H1058 R1065	H1058-P1061 WeakPolarHBondContact CD2-CD 3.37Å; H1058-P1061 VanDerWaalsContact CE1-CG 3.49Å; H1058-P1061 WeakPolarHBondContact CE1-CG 3.49Å; H1058-P1061 WeakPolarHBondContact ND1-CG 3.37Å; H1058-P1061 WeakPolarHBondContact NE2-CD 3.3Å; P1061-R1065 WeakPolarHBondContact O-CB 3.38Å; P1061-R1065 PolarHBondContact O-N 3.24Å; P1061-R1065 VanDerWaalsContact O-N 3.12Å
1062	L	93.5	Very high	93	Very high	53 Å²	53	79.4 Å²	79.4	28%	0.277	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-45	175.5	-177.1	64.1	0	0	0	111.3	H1058 M1059 V1060 R1065 L1066	H1058-L1062 VanDerWaalsContact O-CB 3.29Å; H1058-L1062 WeakPolarHBondContact O-CB 3.32Å; H1058-L1062 PolarHBondContact O-N 3.12Å; M1059-L1062 PolarHBondContact O-N 3.29Å; V1060-L1062 VanDerWaalsContact C-N 3.26Å; V1060-L1062 PolarHBondContact O-N 2.84Å; L1062-R1065 PolarHBondContact O-N 3.29Å; L1062-L1066 HydrophobicContact CD1-CD1 3.72Å; L1062-L1066 HydrophobicContact CD1-CG 4.5Å; L1062-L1066 HydrophobicContact CG-CD1 4.41Å; L1062-L1066 PolarHBondContact O-N 2.83Å; L1062-L1066 VanDerWaalsContact O-N 3.11Å
1063	I	94	Very high	93.2	Very high	39 Å²	39	78.6 Å²	78.6	20%	0.2	42%	0.415	C	S	.	.	H	α-helix	trans	-70.5	-36.1	176.4	-66.2	174.5	0	0	0	111	M1059 V1060 R1065 L1066 G1067 Q1071 I1072 A1075	M1059-I1063 HydrophobicContact CE-CD1 3.89Å; M1059-I1063 WeakPolarHBondContact O-CG1 3.36Å; M1059-I1063 PolarHBondContact O-N 3.2Å; V1060-I1063 PolarHBondContact O-N 2.99Å; I1063-R1065 PolarHBondContact O-N 2.83Å; I1063-L1066 PolarHBondContact O-N 3.08Å; I1063-G1067 WeakPolarHBondContact O-CA 3.46Å; I1063-G1067 PolarHBondContact O-N 3.06Å; I1063-Q1071 HydrophobicContact CG2-CB 3.98Å; I1063-I1072 HydrophobicContact CG2-CG1 4.03Å; I1063-A1075 HydrophobicContact CB-CB 4.36Å; I1063-A1075 HydrophobicContact CD1-CB 3.62Å; I1063-A1075 HydrophobicContact CG2-CB 4.1Å
1064	E	93.9	Very high	93.3	Very high	78 Å²	78	77.2 Å²	77.2	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-30.9	173.4	-74.7	177.6	163.1	0	0	112.8	V1060 I1072 R1076	V1060-E1064 HydrophobicContact CG1-CG 4.26Å; V1060-E1064 WeakPolarHBondContact O-CB 3.47Å; V1060-E1064 WeakPolarHBondContact O-CG 3.46Å; V1060-E1064 PolarHBondContact O-N 3.28Å; E1064-I1072 HydrophobicContact CG-CG1 4.31Å; E1064-I1072 HydrophobicContact CG-CG2 3.89Å; E1064-R1076 IonicContact OE1-CZ 3.25Å; E1064-R1076 VanDerWaalsContact OE1-CZ 3.23Å; E1064-R1076 IonicContact OE1-NE 3.34Å; E1064-R1076 PolarHBondContact OE1-NE 3.08Å; E1064-R1076 IonicContact OE1-NH2 3.56Å; E1064-R1076 PolarHBondContact OE1-NH2 3.35Å
1065	R	94.3	Very high	93.3	Very high	184 Å²	184	74.1 Å²	74.1	69%	0.694	41%	0.405	S	S	*	.	H	α-helix	trans	-82.4	-34.7	178.8	-171.7	176.6	65.4	-177.9	-0.7	113.6	P1061 L1062 I1063	P1061-R1065 WeakPolarHBondContact O-CB 3.38Å; P1061-R1065 PolarHBondContact O-N 3.24Å; P1061-R1065 VanDerWaalsContact O-N 3.12Å; L1062-R1065 PolarHBondContact O-N 3.29Å; I1063-R1065 PolarHBondContact O-N 2.83Å
1066	L	93.4	Very high	93.4	Very high	130 Å²	130	77 Å²	77	68%	0.681	41%	0.407	S	S	*	.	H	α-helix	trans	-119.8	-16.8	-168	-58.6	178.7	0	0	0	114.6	L1062 I1063	L1062-L1066 HydrophobicContact CD1-CD1 3.72Å; L1062-L1066 HydrophobicContact CD1-CG 4.5Å; L1062-L1066 HydrophobicContact CG-CD1 4.41Å; L1062-L1066 PolarHBondContact O-N 2.83Å; L1062-L1066 VanDerWaalsContact O-N 3.11Å; I1063-L1066 PolarHBondContact O-N 3.08Å
1067	G	93.7	Very high	93.7	Very high	22 Å²	22	79.7 Å²	79.7	23%	0.227	41%	0.407	C	S	.	.	S	Bend	trans	-96.3	168.5	-171.7	0	0	0	0	0	114.1	I1063	I1063-G1067 WeakPolarHBondContact O-CA 3.46Å; I1063-G1067 PolarHBondContact O-N 3.06Å
1068	T	94.8	Very high	93.7	Very high	58 Å²	58	77.7 Å²	77.7	36%	0.356	40%	0.404	S	S	.	.			trans	-78.1	162.7	175.7	73.2	0	0	0	0	111.7	Q1070 Q1071 I1072	T1068-Q1070 PolarHBondContact O-N 3.32Å; T1068-Q1070 PolarHBondContact OG1-OE1 3.16Å; T1068-Q1071 PolarHBondContact O-N 3.37Å; T1068-Q1071 WeakPolarHBondContact OG1-CG 3.19Å; T1068-Q1071 PolarHBondContact OG1-N 3.35Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.34Å; T1068-I1072 PolarHBondContact O-N 3.02Å
1069	P	95.4	Very high	93.7	Very high	105 Å²	105	77.2 Å²	77.2	68%	0.682	40%	0.403	S	S	*	.	H	α-helix	trans	-54.9	-35.6	174.7	-27.6	36	0	0	0	114	A1073	P1069-A1073 PolarHBondContact O-N 3.02Å; P1069-A1073 VanDerWaalsContact O-N 3.13Å
1070	Q	93.9	Very high	93.7	Very high	137 Å²	137	76.4 Å²	76.4	64%	0.64	40%	0.4	S	S	*	.	H	α-helix	trans	-67.1	-43.6	175.3	-60.6	104.1	-6.9	0	0	111.7	T1068 I1072 A1073 I1074	T1068-Q1070 PolarHBondContact O-N 3.32Å; T1068-Q1070 PolarHBondContact OG1-OE1 3.16Å; Q1070-I1072 VanDerWaalsContact C-N 3.3Å; Q1070-I1072 PolarHBondContact O-N 3.38Å; Q1070-A1073 PolarHBondContact O-N 2.86Å; Q1070-I1074 WeakPolarHBondContact O-CD1 3.48Å; Q1070-I1074 VanDerWaalsContact O-CG1 3.28Å; Q1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; Q1070-I1074 PolarHBondContact O-N 3.26Å
1071	Q	93	Very high	93.6	Very high	101 Å²	101	81.3 Å²	81.3	47%	0.472	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-37.7	178.1	-70.5	172.5	-27.2	0	0	111.7	I1063 T1068 A1075	I1063-Q1071 HydrophobicContact CG2-CB 3.98Å; T1068-Q1071 PolarHBondContact O-N 3.37Å; T1068-Q1071 WeakPolarHBondContact OG1-CG 3.19Å; T1068-Q1071 PolarHBondContact OG1-N 3.35Å; Q1071-A1075 WeakPolarHBondContact O-CB 3.43Å; Q1071-A1075 PolarHBondContact O-N 3.19Å
1072	I	94	Very high	93.5	Very high	31 Å²	31	81.3 Å²	81.3	16%	0.159	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-47	176.5	-65.7	167.7	0	0	0	110.9	I1063 E1064 T1068 Q1070 A1075 R1076	I1063-I1072 HydrophobicContact CG2-CG1 4.03Å; E1064-I1072 HydrophobicContact CG-CG1 4.31Å; E1064-I1072 HydrophobicContact CG-CG2 3.89Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.34Å; T1068-I1072 PolarHBondContact O-N 3.02Å; Q1070-I1072 VanDerWaalsContact C-N 3.3Å; Q1070-I1072 PolarHBondContact O-N 3.38Å; I1072-A1075 PolarHBondContact O-N 3.46Å; I1072-R1076 WeakPolarHBondContact O-CG 3.24Å; I1072-R1076 PolarHBondContact O-N 2.94Å
1073	A	94.3	Very high	93.3	Very high	48 Å²	48	83 Å²	83	40%	0.397	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-49.2	177.7	0	0	0	0	0	111.2	P1069 Q1070 A1075 R1076 E1077	P1069-A1073 PolarHBondContact O-N 3.02Å; P1069-A1073 VanDerWaalsContact O-N 3.13Å; Q1070-A1073 PolarHBondContact O-N 2.86Å; A1073-A1075 PolarHBondContact O-N 2.98Å; A1073-R1076 PolarHBondContact O-N 2.89Å; A1073-E1077 PolarHBondContact O-N 2.86Å
1074	I	94.1	Very high	93.3	Very high	115 Å²	115	87.3 Å²	87.3	59%	0.59	45%	0.449	S	S	*	.	H	α-helix	trans	-61.2	-43.1	178.3	-66	165.6	0	0	0	111.3	Q1070 R1076 E1077 G1078	Q1070-I1074 WeakPolarHBondContact O-CD1 3.48Å; Q1070-I1074 VanDerWaalsContact O-CG1 3.28Å; Q1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; Q1070-I1074 PolarHBondContact O-N 3.26Å; I1074-R1076 PolarHBondContact O-N 2.89Å; I1074-E1077 PolarHBondContact O-N 2.96Å; I1074-G1078 PolarHBondContact O-N 2.99Å
1075	A	92.4	Very high	93.1	Very high	19 Å²	19	86.3 Å²	86.3	16%	0.157	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-38.7	179.7	0	0	0	0	0	112.3	I1063 Q1071 I1072 A1073 D1079	I1063-A1075 HydrophobicContact CB-CB 4.36Å; I1063-A1075 HydrophobicContact CD1-CB 3.62Å; I1063-A1075 HydrophobicContact CG2-CB 4.1Å; Q1071-A1075 WeakPolarHBondContact O-CB 3.43Å; Q1071-A1075 PolarHBondContact O-N 3.19Å; I1072-A1075 PolarHBondContact O-N 3.46Å; A1073-A1075 PolarHBondContact O-N 2.98Å; A1075-D1079 WeakPolarHBondContact O-CB 3.24Å; A1075-D1079 PolarHBondContact O-N 3.47Å
1076	R	93.2	Very high	92.9	Very high	140 Å²	140	79.7 Å²	79.7	53%	0.528	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-42.3	176	-74	177.3	-179.5	168.8	-0.2	112	V1060 E1064 I1072 A1073 I1074 L1080	V1060-R1076 HydrophobicContact CG1-CG 4.07Å; E1064-R1076 IonicContact OE1-CZ 3.25Å; E1064-R1076 VanDerWaalsContact OE1-CZ 3.23Å; E1064-R1076 IonicContact OE1-NE 3.34Å; E1064-R1076 PolarHBondContact OE1-NE 3.08Å; E1064-R1076 IonicContact OE1-NH2 3.56Å; E1064-R1076 PolarHBondContact OE1-NH2 3.35Å; I1072-R1076 WeakPolarHBondContact O-CG 3.24Å; I1072-R1076 PolarHBondContact O-N 2.94Å; A1073-R1076 PolarHBondContact O-N 2.89Å; I1074-R1076 PolarHBondContact O-N 2.89Å; R1076-L1080 WeakPolarHBondContact O-CB 3.35Å; R1076-L1080 PolarHBondContact O-N 3.29Å
1077	E	94.1	Very high	92.8	Very high	131 Å²	131	75.8 Å²	75.8	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.5	-72.6	-176.8	-177.3	0	0	111.6	A1073 I1074 D1079 L1080 L1081	A1073-E1077 PolarHBondContact O-N 2.86Å; I1074-E1077 PolarHBondContact O-N 2.96Å; E1077-D1079 PolarHBondContact O-N 2.97Å; E1077-L1080 WeakPolarHBondContact O-CB 3.26Å; E1077-L1080 PolarHBondContact O-N 3.44Å; E1077-L1081 WeakPolarHBondContact O-CG 3.27Å; E1077-L1081 PolarHBondContact O-N 2.84Å
1078	G	92.8	Very high	92.6	Very high	32 Å²	32	78.8 Å²	78.8	33%	0.33	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-42.2	176.7	0	0	0	0	0	112.9	I1074 L1080 L1081 T1082	I1074-G1078 PolarHBondContact O-N 2.99Å; G1078-L1080 VanDerWaalsContact C-N 3.34Å; G1078-L1081 PolarHBondContact O-N 2.88Å; G1078-T1082 WeakPolarHBondContact O-CB 3.21Å; G1078-T1082 PolarHBondContact O-N 2.92Å; G1078-T1082 VanDerWaalsContact O-N 3.08Å; G1078-T1082 PolarHBondContact O-OG1 3.19Å
1079	D	92.6	Very high	92.1	Very high	36 Å²	36	79.4 Å²	79.4	19%	0.193	44%	0.437	C	S	.	.	H	α-helix	trans	-61.4	-42.5	174.3	-179.8	70.1	0	0	0	111.9	Q1029 V1060 A1075 E1077 T1082 K1083	Q1029-D1079 WeakPolarHBondContact CG-OD1 3.4Å; Q1029-D1079 PolarHBondContact NE2-O 3.23Å; Q1029-D1079 PolarHBondContact NE2-OD1 2.75Å; V1060-D1079 HydrophobicContact CG2-CB 3.72Å; A1075-D1079 WeakPolarHBondContact O-CB 3.24Å; A1075-D1079 PolarHBondContact O-N 3.47Å; E1077-D1079 PolarHBondContact O-N 2.97Å; D1079-T1082 PolarHBondContact O-N 3.09Å; D1079-K1083 WeakPolarHBondContact O-CG 3.34Å; D1079-K1083 PolarHBondContact O-N 3.02Å; D1079-K1083 IonicContact OD2-NZ 2.87Å; D1079-K1083 PolarHBondContact OD2-NZ 3.38Å
1080	L	92.8	Very high	91.7	Very high	72 Å²	72	80.2 Å²	80.2	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-50.6	178.1	-169	65.9	0	0	0	111.7	R1076 E1077 G1078 T1082 K1083 E1084	R1076-L1080 WeakPolarHBondContact O-CB 3.35Å; R1076-L1080 PolarHBondContact O-N 3.29Å; E1077-L1080 WeakPolarHBondContact O-CB 3.26Å; E1077-L1080 PolarHBondContact O-N 3.44Å; G1078-L1080 VanDerWaalsContact C-N 3.34Å; L1080-T1082 PolarHBondContact O-N 3.37Å; L1080-K1083 PolarHBondContact O-N 3.35Å; L1080-E1084 VanDerWaalsContact CD1-CD 3.45Å; L1080-E1084 HydrophobicContact CD1-CG 4.1Å; L1080-E1084 VanDerWaalsContact CD1-OE1 3.22Å; L1080-E1084 WeakPolarHBondContact CD1-OE1 3.34Å; L1080-E1084 WeakPolarHBondContact O-CB 3.38Å; L1080-E1084 PolarHBondContact O-N 2.77Å
1081	L	91.3	Very high	91.3	Very high	123 Å²	123	75.8 Å²	75.8	64%	0.644	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-24.9	177.6	-66.7	174	0	0	0	113.4	E1077 G1078 R1085	E1077-L1081 WeakPolarHBondContact O-CG 3.27Å; E1077-L1081 PolarHBondContact O-N 2.84Å; G1078-L1081 PolarHBondContact O-N 2.88Å; L1081-R1085 PolarHBondContact O-NH1 3.44Å
1082	T	91.4	Very high	91.1	Very high	53 Å²	53	73 Å²	73	33%	0.325	41%	0.407	S	S	.	.	H	α-helix	trans	-80.7	-41.2	179.7	-56.4	0	0	0	0	111.6	L1022 A1025 G1078 D1079 L1080	L1022-T1082 VanDerWaalsContact CD2-O 3.3Å; L1022-T1082 WeakPolarHBondContact CD2-O 3.44Å; A1025-T1082 HydrophobicContact CB-CG2 3.42Å; A1025-T1082 VanDerWaalsContact CB-CG2 3.42Å; G1078-T1082 WeakPolarHBondContact O-CB 3.21Å; G1078-T1082 PolarHBondContact O-N 2.92Å; G1078-T1082 VanDerWaalsContact O-N 3.08Å; G1078-T1082 PolarHBondContact O-OG1 3.19Å; D1079-T1082 PolarHBondContact O-N 3.09Å; L1080-T1082 PolarHBondContact O-N 3.37Å
1083	K	90.2	Very high	91	Very high	90 Å²	90	71.7 Å²	71.7	39%	0.391	40%	0.4	S	S	.	.	H	α-helix	trans	-83.2	-28.8	-178.8	70.5	-166.4	175.7	-153	0	114.2	D1079 L1080 R1085	D1079-K1083 WeakPolarHBondContact O-CG 3.34Å; D1079-K1083 PolarHBondContact O-N 3.02Å; D1079-K1083 IonicContact OD2-NZ 2.87Å; D1079-K1083 PolarHBondContact OD2-NZ 3.38Å; L1080-K1083 PolarHBondContact O-N 3.35Å; K1083-R1085 PolarHBondContact O-N 3.23Å
1084	E	92.7	Very high	90.8	Very high	129 Å²	129	71.3 Å²	71.3	60%	0.603	39%	0.39	S	S	*	.			trans	-89.4	97.3	179.8	-63.7	-172.9	168.2	0	0	110	L1080	L1080-E1084 VanDerWaalsContact CD1-CD 3.45Å; L1080-E1084 HydrophobicContact CD1-CG 4.1Å; L1080-E1084 VanDerWaalsContact CD1-OE1 3.22Å; L1080-E1084 WeakPolarHBondContact CD1-OE1 3.34Å; L1080-E1084 WeakPolarHBondContact O-CB 3.38Å; L1080-E1084 PolarHBondContact O-N 2.77Å
1085	R	91.6	Very high	90.6	Very high	57 Å²	57	69.9 Å²	69.9	22%	0.215	39%	0.386	C	S	.	.			trans	-123.1	159.8	177.4	-50.9	-57.2	-113.6	-169	3.9	110.2	E1018 D1021 L1022 L1081 K1083 C1087 C1088	E1018-R1085 HydrophobicContact CB-CB 3.95Å; E1018-R1085 HydrophobicContact CB-CG 4.32Å; E1018-R1085 HydrophobicContact CG-CB 4Å; E1018-R1085 HydrophobicContact CG-CG 4.47Å; D1021-R1085 IonicContact OD2-CZ 3.54Å; D1021-R1085 IonicContact OD2-NH2 3.26Å; D1021-R1085 PolarHBondContact OD2-NH2 3.08Å; L1022-R1085 HydrophobicContact CD1-CB 4.39Å; L1022-R1085 HydrophobicContact CD1-CG 4.18Å; L1022-R1085 HydrophobicContact CD2-CG 3.97Å; L1022-R1085 HydrophobicContact CG-CG 4.02Å; L1081-R1085 PolarHBondContact O-NH1 3.44Å; K1083-R1085 PolarHBondContact O-N 3.23Å; R1085-C1087 VanDerWaalsContact C-N 3.31Å; R1085-C1087 PolarHBondContact O-N 2.9Å; R1085-C1088 VanDerWaalsContact O-CB 3.32Å; R1085-C1088 WeakPolarHBondContact O-CB 3.5Å; R1085-C1088 PolarHBondContact O-N 3.43Å
1086	L	90.2	Very high	90.6	Very high	44 Å²	44	69.5 Å²	69.5	23%	0.23	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-62.4	-39.7	-177.3	-65.8	177.1	0	0	0	111.6	Y923 L1014 E1018 C1088 G1089 L1090 M1092	Y923-L1086 HydrophobicContact CD1-CD1 4.28Å; Y923-L1086 HydrophobicContact CE1-CD1 4.01Å; Y923-L1086 HydrophobicContact CE1-CG 4.23Å; L1014-L1086 HydrophobicContact CD2-CD1 3.73Å; E1018-L1086 WeakPolarHBondContact OE1-CB 3.33Å; E1018-L1086 PolarHBondContact OE1-N 3.47Å; E1018-L1086 PolarHBondContact OE2-N 3.45Å; L1086-C1088 PolarHBondContact O-N 3.02Å; L1086-G1089 PolarHBondContact O-N 3.48Å; L1086-G1089 VanDerWaalsContact O-N 3.16Å; L1086-L1090 HydrophobicContact CD2-CB 4.11Å; L1086-L1090 HydrophobicContact CD2-CD1 3.82Å; L1086-L1090 PolarHBondContact O-N 3.36Å; L1086-M1092 HydrophobicContact CD1-CE 4.02Å; L1086-M1092 HydrophobicContact CD1-SD 4.06Å
1087	C	90.9	Very high	90.5	Very high	49 Å²	49	62.9 Å²	62.9	33%	0.331	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-60.9	-12.3	179	73.2	0	0	0	0	115	E1018 R1085 G1089	E1018-C1087 HydrophobicContact CB-CB 4.37Å; E1018-C1087 WeakPolarHBondContact OE2-CB 3.37Å; E1018-C1087 PolarHBondContact OE2-N 3.06Å; R1085-C1087 VanDerWaalsContact C-N 3.31Å; R1085-C1087 PolarHBondContact O-N 2.9Å; C1087-G1089 VanDerWaalsContact C-N 3.26Å; C1087-G1089 PolarHBondContact O-N 3.46Å
1088	C	88.1	Confident	90.3	Very high	84 Å²	84	59.4 Å²	59.4	57%	0.568	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-73.5	-13	176.8	-64.7	0	0	0	0	113.7	R1085 L1086	R1085-C1088 VanDerWaalsContact O-CB 3.32Å; R1085-C1088 WeakPolarHBondContact O-CB 3.5Å; R1085-C1088 PolarHBondContact O-N 3.43Å; L1086-C1088 PolarHBondContact O-N 3.02Å
1089	G	84.4	Confident	90.3	Very high	72 Å²	72	62.6 Å²	62.6	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.8	11.2	176.5	0	0	0	0	0	117	L1086 C1087	L1086-G1089 PolarHBondContact O-N 3.48Å; L1086-G1089 VanDerWaalsContact O-N 3.16Å; C1087-G1089 VanDerWaalsContact C-N 3.26Å; C1087-G1089 PolarHBondContact O-N 3.46Å
1090	L	87.1	Confident	90.4	Very high	121 Å²	121	60.9 Å²	60.9	63%	0.634	34%	0.338	S	S	*	.			trans	-114.4	146.8	-179.8	-61.8	173.3	0	0	0	110.3	L1086	L1086-L1090 HydrophobicContact CD2-CB 4.11Å; L1086-L1090 HydrophobicContact CD2-CD1 3.82Å; L1086-L1090 PolarHBondContact O-N 3.36Å
1091	S	85.8	Confident	90.3	Very high	44 Å²	44	62.7 Å²	62.7	31%	0.308	34%	0.339	S	S	.	.			trans	-133.4	142.9	172.5	86.9	0	0	0	0	111.3	E1011	E1011-S1091 WeakPolarHBondContact OE1-CA 3.11Å; E1011-S1091 WeakPolarHBondContact OE1-CB 3.36Å
1092	M	89.7	Confident	90.3	Very high	44 Å²	44	58.7 Å²	58.7	22%	0.217	33%	0.327	C	S	.	.	S	Bend	trans	-97.9	-36.7	-176.5	-65.3	-176.7	-73.4	0	0	112	M930 E1011 L1014 L1086 E1094 V1095 I1096	M930-M1092 HydrophobicContact CE-CE 3.89Å; M930-M1092 HydrophobicContact CE-SD 4.29Å; M930-M1092 HydrophobicContact SD-CE 4.34Å; M930-M1092 HydrophobicContact SD-SD 3.94Å; E1011-M1092 HydrophobicContact CB-CE 3.89Å; E1011-M1092 VanDerWaalsContact CD-N 3.32Å; E1011-M1092 HydrophobicContact CG-CE 3.82Å; E1011-M1092 PolarHBondContact OE1-N 3.09Å; E1011-M1092 PolarHBondContact OE2-N 3.11Å; L1014-M1092 HydrophobicContact CD2-CE 3.92Å; L1086-M1092 HydrophobicContact CD1-CE 4.02Å; L1086-M1092 HydrophobicContact CD1-SD 4.06Å; M1092-E1094 VanDerWaalsContact C-N 3.28Å; M1092-E1094 PolarHBondContact O-N 3.44Å; M1092-V1095 WeakPolarHBondContact O-CA 3.2Å; M1092-V1095 WeakPolarHBondContact O-CB 3.36Å; M1092-V1095 PolarHBondContact O-N 3.26Å; M1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; M1092-I1096 PolarHBondContact O-N 3.36Å
1093	F	91.6	Very high	90.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-35.2	-172.9	-168.1	-118.1	0	0	0	113.1	L1008 E1011 V1095 I1096 L1097 W1159 L1222 Y1225	L1008-F1093 HydrophobicContact CB-CD2 3.89Å; L1008-F1093 HydrophobicContact CB-CE2 3.75Å; L1008-F1093 HydrophobicContact CB-CG 4.48Å; L1008-F1093 HydrophobicContact CB-CZ 4.2Å; L1008-F1093 HydrophobicContact CD1-CB 4.48Å; L1008-F1093 HydrophobicContact CD1-CD1 3.97Å; L1008-F1093 HydrophobicContact CD1-CD2 4.26Å; L1008-F1093 HydrophobicContact CD1-CE1 4.2Å; L1008-F1093 HydrophobicContact CD1-CG 3.99Å; L1008-F1093 HydrophobicContact CD1-CZ 4.48Å; L1008-F1093 HydrophobicContact CD2-CZ 4.4Å; E1011-F1093 VanDerWaalsContact OE2-CB 3.24Å; E1011-F1093 WeakPolarHBondContact OE2-CB 3.34Å; E1011-F1093 PolarHBondContact OE2-N 3.34Å; F1093-V1095 VanDerWaalsContact C-N 3.34Å; F1093-V1095 PolarHBondContact O-N 3.16Å; F1093-I1096 PolarHBondContact O-N 3.46Å; F1093-L1097 HydrophobicContact CD1-CD1 3.96Å; F1093-L1097 HydrophobicContact CD1-CG 4.39Å; F1093-L1097 HydrophobicContact CE1-CD1 3.7Å; F1093-L1097 HydrophobicContact CE1-CD2 4.46Å; F1093-L1097 HydrophobicContact CE1-CG 4.16Å; F1093-L1097 HydrophobicContact CZ-CD1 4.24Å; F1093-L1097 HydrophobicContact CZ-CD2 4.17Å; F1093-L1097 HydrophobicContact CZ-CG 4.26Å; F1093-L1097 WeakPolarHBondContact O-CG 3.27Å; F1093-L1097 PolarHBondContact O-N 3.5Å; F1093-W1159 HydrophobicContact CZ-CZ3 4.27Å; F1093-L1222 HydrophobicContact CE1-CD2 4.32Å; F1093-L1222 HydrophobicContact CZ-CD2 4.33Å; F1093-Y1225 HydrophobicContact CB-CD1 4.35Å; F1093-Y1225 HydrophobicContact CD1-CD1 4.04Å; F1093-Y1225 AromaticContact CD1-CD2 3.83Å; F1093-Y1225 HydrophobicContact CD1-CD2 3.83Å; F1093-Y1225 HydrophobicContact CD1-CE1 4.49Å; F1093-Y1225 HydrophobicContact CD1-CE2 4.32Å; F1093-Y1225 AromaticContact CD1-CG 3.68Å; F1093-Y1225 HydrophobicContact CD1-CG 3.68Å; F1093-Y1225 HydrophobicContact CE1-CD2 4.16Å; F1093-Y1225 HydrophobicContact CE1-CG 4.36Å
1094	E	88.8	Confident	90.6	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-42.8	173.1	179.6	173.8	172.9	0	0	112.1	M1092 L1097 T1098 Y1225 S1228 G1229	M1092-E1094 VanDerWaalsContact C-N 3.28Å; M1092-E1094 PolarHBondContact O-N 3.44Å; E1094-L1097 PolarHBondContact O-N 3.23Å; E1094-T1098 WeakPolarHBondContact O-CB 3.44Å; E1094-T1098 PolarHBondContact O-N 2.92Å; E1094-T1098 PolarHBondContact O-OG1 2.87Å; E1094-Y1225 WeakPolarHBondContact CB-O 3.31Å; E1094-Y1225 VanDerWaalsContact CG-O 3.31Å; E1094-Y1225 WeakPolarHBondContact CG-O 3.47Å; E1094-S1228 VanDerWaalsContact OE2-CB 3.3Å; E1094-S1228 WeakPolarHBondContact OE2-CB 3.32Å; E1094-S1228 PolarHBondContact OE2-OG 3.37Å; E1094-G1229 PolarHBondContact OE1-N 2.87Å
1095	V	90.3	Very high	90.6	Very high	84 Å²	84	52.5 Å²	52.5	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-41.6	177.9	-179	0	0	0	0	110.6	M1092 F1093 T1098 R1099	M1092-V1095 WeakPolarHBondContact O-CA 3.2Å; M1092-V1095 WeakPolarHBondContact O-CB 3.36Å; M1092-V1095 PolarHBondContact O-N 3.26Å; F1093-V1095 VanDerWaalsContact C-N 3.34Å; F1093-V1095 PolarHBondContact O-N 3.16Å; V1095-T1098 PolarHBondContact O-N 3.37Å; V1095-R1099 WeakPolarHBondContact O-CG 3.08Å; V1095-R1099 PolarHBondContact O-N 3.24Å
1096	I	92.4	Very high	90.7	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-52.9	175.6	-63.5	-58.4	0	0	0	110.2	M930 L934 L1004 M1092 F1093 T1098 R1099 V1100	M930-I1096 HydrophobicContact CB-CD1 4.46Å; L934-I1096 HydrophobicContact CD1-CD1 3.73Å; L934-I1096 HydrophobicContact CD2-CD1 4.25Å; L934-I1096 HydrophobicContact CD2-CG2 3.97Å; L934-I1096 HydrophobicContact CG-CD1 4Å; L1004-I1096 HydrophobicContact CD2-CG2 4.12Å; M1092-I1096 WeakPolarHBondContact O-CG1 3.28Å; M1092-I1096 PolarHBondContact O-N 3.36Å; F1093-I1096 PolarHBondContact O-N 3.46Å; I1096-T1098 VanDerWaalsContact C-N 3.33Å; I1096-T1098 PolarHBondContact O-N 3.4Å; I1096-R1099 PolarHBondContact O-N 3Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.24Å; I1096-V1100 PolarHBondContact O-N 3.02Å
1097	L	92	Very high	90.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-42	179.3	-70	178.7	0	0	0	112.2	L1004 F1093 E1094 R1099 V1100 R1101 M1163 L1167 L1222 M1226	L1004-L1097 HydrophobicContact CD2-CD2 4.49Å; F1093-L1097 HydrophobicContact CD1-CD1 3.96Å; F1093-L1097 HydrophobicContact CD1-CG 4.39Å; F1093-L1097 HydrophobicContact CE1-CD1 3.7Å; F1093-L1097 HydrophobicContact CE1-CD2 4.46Å; F1093-L1097 HydrophobicContact CE1-CG 4.16Å; F1093-L1097 HydrophobicContact CZ-CD1 4.24Å; F1093-L1097 HydrophobicContact CZ-CD2 4.17Å; F1093-L1097 HydrophobicContact CZ-CG 4.26Å; F1093-L1097 WeakPolarHBondContact O-CG 3.27Å; F1093-L1097 PolarHBondContact O-N 3.5Å; E1094-L1097 PolarHBondContact O-N 3.23Å; L1097-R1099 VanDerWaalsContact C-N 3.35Å; L1097-R1099 PolarHBondContact O-N 3.21Å; L1097-V1100 PolarHBondContact O-N 3.13Å; L1097-R1101 PolarHBondContact O-N 3.16Å; L1097-M1163 HydrophobicContact CD2-CG 3.93Å; L1097-M1163 HydrophobicContact CD2-SD 4.32Å; L1097-L1167 HydrophobicContact CB-CD2 4.24Å; L1097-L1222 HydrophobicContact CD1-CD2 4.03Å; L1097-L1222 HydrophobicContact CD2-CD2 3.93Å; L1097-M1226 HydrophobicContact CB-SD 3.62Å; L1097-M1226 HydrophobicContact CD1-CG 4.08Å; L1097-M1226 HydrophobicContact CD1-SD 4.03Å; L1097-M1226 HydrophobicContact CG-SD 4.49Å
1098	T	90.1	Very high	90.8	Very high	57 Å²	57	53.2 Å²	53.2	35%	0.35	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-40.6	178.3	-62.6	0	0	0	0	112.1	E1094 V1095 I1096 R1101	E1094-T1098 WeakPolarHBondContact O-CB 3.44Å; E1094-T1098 PolarHBondContact O-N 2.92Å; E1094-T1098 PolarHBondContact O-OG1 2.87Å; V1095-T1098 PolarHBondContact O-N 3.37Å; I1096-T1098 VanDerWaalsContact C-N 3.33Å; I1096-T1098 PolarHBondContact O-N 3.4Å; T1098-R1101 WeakPolarHBondContact O-CB 3.43Å; T1098-R1101 PolarHBondContact O-N 2.86Å
1099	R	93.1	Very high	91	Very high	100 Å²	100	49.3 Å²	49.3	38%	0.377	29%	0.288	S	S	.	.	H	α-helix	trans	-69.2	-40.3	175.5	-73.8	-178.3	70	-176	-4.4	112.1	E931 V1095 I1096 L1097 R1101 G1102	E931-R1099 IonicContact OE1-CZ 3.45Å; E931-R1099 IonicContact OE1-NH1 3.45Å; E931-R1099 PolarHBondContact OE1-NH1 3.43Å; E931-R1099 IonicContact OE1-NH2 3.59Å; E931-R1099 IonicContact OE2-CZ 2.76Å; E931-R1099 IonicContact OE2-NH1 3.21Å; E931-R1099 PolarHBondContact OE2-NH1 3.39Å; E931-R1099 IonicContact OE2-NH2 2.68Å; E931-R1099 PolarHBondContact OE2-NH2 2.9Å; V1095-R1099 WeakPolarHBondContact O-CG 3.08Å; V1095-R1099 PolarHBondContact O-N 3.24Å; I1096-R1099 PolarHBondContact O-N 3Å; L1097-R1099 VanDerWaalsContact C-N 3.35Å; L1097-R1099 PolarHBondContact O-N 3.21Å; R1099-R1101 VanDerWaalsContact C-N 3.26Å; R1099-R1101 PolarHBondContact O-N 3.18Å; R1099-G1102 PolarHBondContact O-N 2.88Å; R1099-G1102 VanDerWaalsContact O-N 3.07Å
1100	V	93.8	Very high	91.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-33.9	176.9	176.8	0	0	0	0	111.6	L934 V937 L941 L1004 I1096 L1097 G1102 F1103 M1163 L1167	L934-V1100 HydrophobicContact CD2-CG2 3.67Å; V937-V1100 HydrophobicContact CG1-CG1 4.12Å; V937-V1100 HydrophobicContact CG1-CG2 4.08Å; L941-V1100 HydrophobicContact CD1-CG1 3.76Å; L1004-V1100 HydrophobicContact CD2-CG2 4.42Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.24Å; I1096-V1100 PolarHBondContact O-N 3.02Å; L1097-V1100 PolarHBondContact O-N 3.13Å; V1100-G1102 PolarHBondContact O-N 3.09Å; V1100-F1103 HydrophobicContact CB-CD2 4.3Å; V1100-F1103 HydrophobicContact CG1-CD2 4.31Å; V1100-F1103 HydrophobicContact CG2-CD2 4.27Å; V1100-F1103 HydrophobicContact CG2-CE2 4.08Å; V1100-F1103 WeakPolarHBondContact O-CB 3.24Å; V1100-F1103 PolarHBondContact O-N 3.07Å; V1100-M1163 HydrophobicContact CB-SD 4.34Å; V1100-M1163 HydrophobicContact CG1-CE 3.71Å; V1100-M1163 HydrophobicContact CG1-SD 3.6Å; V1100-M1163 VanDerWaalsContact CG1-SD 3.6Å; V1100-L1167 HydrophobicContact CB-CD1 4.12Å; V1100-L1167 HydrophobicContact CG1-CD1 3.89Å
1101	R	91.8	Very high	91.5	Very high	110 Å²	110	46 Å²	46	42%	0.415	25%	0.252	S	S	.	.	H	α-helix	trans	-56.7	-38.5	173	-173.9	173.2	60.8	-175.1	-3	112.2	L1097 T1098 R1099 F1103 L1104 L1167	L1097-R1101 PolarHBondContact O-N 3.16Å; T1098-R1101 WeakPolarHBondContact O-CB 3.43Å; T1098-R1101 PolarHBondContact O-N 2.86Å; R1099-R1101 VanDerWaalsContact C-N 3.26Å; R1099-R1101 PolarHBondContact O-N 3.18Å; R1101-F1103 PolarHBondContact O-N 3.15Å; R1101-L1104 PolarHBondContact O-N 2.97Å; R1101-L1167 HydrophobicContact CB-CB 4.29Å; R1101-L1167 HydrophobicContact CB-CD1 4.3Å; R1101-L1167 HydrophobicContact CB-CD2 4.21Å; R1101-L1167 HydrophobicContact CB-CG 4.5Å; R1101-L1167 HydrophobicContact CG-CB 4.29Å
1102	G	91.1	Very high	91.8	Very high	38 Å²	38	47.9 Å²	47.9	39%	0.392	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5	175.3	0	0	0	0	0	114.6	R1099 V1100	R1099-G1102 PolarHBondContact O-N 2.88Å; R1099-G1102 VanDerWaalsContact O-N 3.07Å; V1100-G1102 PolarHBondContact O-N 3.09Å
1103	F	94.4	Very high	91.7	Very high	25 Å²	25	53.1 Å²	53.1	11%	0.11	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.6	172.6	-53.3	-24.1	0	0	0	112.4	L934 V937 K938 L941 Q942 V1100 R1101	L934-F1103 HydrophobicContact CD2-CE2 4.28Å; V937-F1103 HydrophobicContact CG1-CD2 4.48Å; K938-F1103 HydrophobicContact CB-CD1 4.25Å; K938-F1103 HydrophobicContact CB-CD2 3.73Å; K938-F1103 HydrophobicContact CB-CE1 4.21Å; K938-F1103 HydrophobicContact CB-CE2 3.68Å; K938-F1103 HydrophobicContact CB-CG 4.05Å; K938-F1103 HydrophobicContact CB-CZ 3.93Å; K938-F1103 HydrophobicContact CD-CD1 4.01Å; K938-F1103 HydrophobicContact CD-CE1 3.85Å; K938-F1103 HydrophobicContact CD-CZ 4.26Å; K938-F1103 HydrophobicContact CG-CD1 3.86Å; K938-F1103 HydrophobicContact CG-CD2 4.17Å; K938-F1103 HydrophobicContact CG-CE1 4.06Å; K938-F1103 HydrophobicContact CG-CE2 4.35Å; K938-F1103 HydrophobicContact CG-CG 3.94Å; K938-F1103 HydrophobicContact CG-CZ 4.3Å; L941-F1103 HydrophobicContact CD1-CB 4.5Å; Q942-F1103 HydrophobicContact CG-CB 4.48Å; Q942-F1103 PolarHBondContact NE2-O 3.36Å; Q942-F1103 VanDerWaalsContact NE2-O 3.09Å; V1100-F1103 HydrophobicContact CB-CD2 4.3Å; V1100-F1103 HydrophobicContact CG1-CD2 4.31Å; V1100-F1103 HydrophobicContact CG2-CD2 4.27Å; V1100-F1103 HydrophobicContact CG2-CE2 4.08Å; V1100-F1103 WeakPolarHBondContact O-CB 3.24Å; V1100-F1103 PolarHBondContact O-N 3.07Å; R1101-F1103 PolarHBondContact O-N 3.15Å
1104	L	93.8	Very high	91.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	30%	0.298	C	S	.	.			trans	-102.8	43	-173.4	-58	173.5	0	0	0	112.9	L941 R1101 W1109 R1110 I1164 L1167 L1168	L941-L1104 HydrophobicContact CD1-CD2 4.21Å; L941-L1104 HydrophobicContact CD2-CD2 4.38Å; R1101-L1104 PolarHBondContact O-N 2.97Å; L1104-W1109 HydrophobicContact CB-CG 4.41Å; L1104-W1109 HydrophobicContact CD2-CD2 3.97Å; L1104-W1109 HydrophobicContact CD2-CE3 4.35Å; L1104-W1109 HydrophobicContact CD2-CG 4.47Å; L1104-W1109 HydrophobicContact CD2-CH2 4.21Å; L1104-W1109 HydrophobicContact CD2-CZ2 3.82Å; L1104-W1109 HydrophobicContact CD2-CZ3 4.45Å; L1104-R1110 PolarHBondContact O-NH1 3.33Å; L1104-R1110 PolarHBondContact O-NH2 2.75Å; L1104-I1164 HydrophobicContact CD1-CG2 4.13Å; L1104-L1167 HydrophobicContact CD1-CB 4.28Å; L1104-L1168 HydrophobicContact CB-CD2 4.15Å; L1104-L1168 HydrophobicContact CD1-CD2 4.34Å; L1104-L1168 HydrophobicContact CD1-CG 4.29Å
1105	D	90.9	Very high	91.6	Very high	116 Å²	116	57.3 Å²	57.3	62%	0.62	32%	0.324	S	S	*	.			trans	-84.4	-17.9	-175.8	-71.5	-20.5	0	0	0	114.2	A1107	D1105-A1107 PolarHBondContact O-N 3.37Å
1106	D	93.9	Very high	91.5	Very high	54 Å²	54	57.4 Å²	57.4	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	-59.3	137.3	178.7	-166.5	-66.8	0	0	0	111.4	L946 K950 I1108 W1109	L946-D1106 HydrophobicContact CD1-CB 3.98Å; L946-D1106 HydrophobicContact CD2-CB 4.33Å; K950-D1106 WeakPolarHBondContact CE-OD1 3.35Å; K950-D1106 VanDerWaalsContact CE-OD2 3.26Å; K950-D1106 WeakPolarHBondContact CE-OD2 3.29Å; K950-D1106 IonicContact NZ-OD1 2.83Å; K950-D1106 IonicContact NZ-OD2 2.93Å; K950-D1106 PolarHBondContact NZ-OD2 2.82Å; D1106-I1108 HydrophobicContact CB-CG2 4.36Å; D1106-I1108 PolarHBondContact O-N 3.47Å; D1106-I1108 VanDerWaalsContact O-N 3.15Å; D1106-I1108 WeakPolarHBondContact OD1-CB 3.32Å; D1106-I1108 VanDerWaalsContact OD1-CG2 3.25Å; D1106-I1108 WeakPolarHBondContact OD1-CG2 3.28Å; D1106-I1108 PolarHBondContact OD1-N 3.32Å; D1106-W1109 PolarHBondContact O-N 3.14Å
1107	A	90.8	Very high	91.2	Very high	76 Å²	76	58 Å²	58	63%	0.628	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-60.4	-27.6	-175.7	0	0	0	0	0	112.9	D1105 W1109 R1110 G1111	D1105-A1107 PolarHBondContact O-N 3.37Å; A1107-W1109 PolarHBondContact O-N 3.23Å; A1107-W1109 VanDerWaalsContact O-N 3.16Å; A1107-R1110 PolarHBondContact O-N 2.76Å; A1107-G1111 PolarHBondContact O-N 2.91Å
1108	I	92.2	Very high	90.9	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.185	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.8	-27	-178.3	-162.2	63.2	0	0	0	113.1	L946 V949 K950 M953 D1106 R1110	L946-I1108 HydrophobicContact CD1-CG2 3.59Å; V949-I1108 HydrophobicContact CG1-CG1 4.47Å; V949-I1108 HydrophobicContact CG1-CG2 4.36Å; K950-I1108 HydrophobicContact CG-CB 4.2Å; K950-I1108 HydrophobicContact CG-CG1 3.97Å; K950-I1108 HydrophobicContact CG-CG2 3.99Å; M953-I1108 HydrophobicContact CB-CD1 4.17Å; M953-I1108 HydrophobicContact CB-CG1 4.49Å; M953-I1108 HydrophobicContact CG-CD1 3.99Å; D1106-I1108 HydrophobicContact CB-CG2 4.36Å; D1106-I1108 PolarHBondContact O-N 3.47Å; D1106-I1108 VanDerWaalsContact O-N 3.15Å; D1106-I1108 WeakPolarHBondContact OD1-CB 3.32Å; D1106-I1108 VanDerWaalsContact OD1-CG2 3.25Å; D1106-I1108 WeakPolarHBondContact OD1-CG2 3.28Å; D1106-I1108 PolarHBondContact OD1-N 3.32Å; I1108-R1110 PolarHBondContact O-N 3.28Å
1109	W	92.5	Very high	91	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.008	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-66.8	-37	-179.9	-64	114.8	0	0	0	112.4	I945 L946 V949 L1104 D1106 A1107 F1127 I1164 L1168 Q1170	I945-W1109 HydrophobicContact CG2-CH2 4.07Å; L946-W1109 HydrophobicContact CB-CZ2 4.42Å; L946-W1109 HydrophobicContact CD1-CZ2 3.85Å; V949-W1109 HydrophobicContact CB-CH2 4.36Å; V949-W1109 HydrophobicContact CB-CZ3 4.43Å; V949-W1109 HydrophobicContact CG1-CE3 4.36Å; V949-W1109 HydrophobicContact CG1-CH2 4.46Å; V949-W1109 HydrophobicContact CG1-CZ3 4.13Å; V949-W1109 HydrophobicContact CG2-CH2 3.87Å; V949-W1109 HydrophobicContact CG2-CZ3 3.88Å; L1104-W1109 HydrophobicContact CB-CG 4.41Å; L1104-W1109 HydrophobicContact CD2-CD2 3.97Å; L1104-W1109 HydrophobicContact CD2-CE3 4.35Å; L1104-W1109 HydrophobicContact CD2-CG 4.47Å; L1104-W1109 HydrophobicContact CD2-CH2 4.21Å; L1104-W1109 HydrophobicContact CD2-CZ2 3.82Å; L1104-W1109 HydrophobicContact CD2-CZ3 4.45Å; D1106-W1109 PolarHBondContact O-N 3.14Å; A1107-W1109 PolarHBondContact O-N 3.23Å; A1107-W1109 VanDerWaalsContact O-N 3.16Å; W1109-F1127 HydrophobicContact CE3-CB 4.06Å; W1109-F1127 AromaticContact CE3-CD2 3.71Å; W1109-F1127 HydrophobicContact CE3-CD2 3.71Å; W1109-F1127 HydrophobicContact CE3-CE2 4.37Å; W1109-F1127 AromaticContact CE3-CG 3.92Å; W1109-F1127 HydrophobicContact CE3-CG 3.92Å; W1109-F1127 AromaticContact CZ3-CD2 3.45Å; W1109-F1127 HydrophobicContact CZ3-CD2 3.45Å; W1109-F1127 VanDerWaalsContact CZ3-CD2 3.45Å; W1109-F1127 AromaticContact CZ3-CE2 3.67Å; W1109-F1127 HydrophobicContact CZ3-CE2 3.67Å; W1109-F1127 HydrophobicContact CZ3-CG 4.04Å; W1109-F1127 HydrophobicContact CZ3-CZ 4.42Å; W1109-F1127 PolarHBondContact O-N 3.19Å; W1109-I1164 HydrophobicContact CE3-CG2 3.96Å; W1109-I1164 HydrophobicContact CZ3-CD1 4.35Å; W1109-I1164 HydrophobicContact CZ3-CG2 3.92Å; W1109-L1168 HydrophobicContact CB-CD1 3.86Å; W1109-L1168 HydrophobicContact CB-CD2 3.87Å; W1109-L1168 HydrophobicContact CE3-CD1 4.43Å; W1109-Q1170 PolarHBondContact O-NE2 3.34Å
1110	R	92.1	Very high	90.8	Very high	100 Å²	100	57.4 Å²	57.4	38%	0.377	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-20.3	-176.5	-62.6	178.2	-173.1	76.4	0.3	113.4	L1104 A1107 I1108 L1168	L1104-R1110 PolarHBondContact O-NH1 3.33Å; L1104-R1110 PolarHBondContact O-NH2 2.75Å; A1107-R1110 PolarHBondContact O-N 2.76Å; I1108-R1110 PolarHBondContact O-N 3.28Å; R1110-L1168 HydrophobicContact CG-CD2 4.12Å
1111	G	90.4	Very high	90.6	Very high	22 Å²	22	60.1 Å²	60.1	23%	0.227	35%	0.351	C	S	.	.			trans	71.3	-177.8	-175.4	0	0	0	0	0	113.5	A1107 V1125	A1107-G1111 PolarHBondContact O-N 2.91Å; G1111-V1125 VanDerWaalsContact CA-O 3.26Å; G1111-V1125 WeakPolarHBondContact CA-O 3.46Å
1112	P	91.5	Very high	90.5	Very high	84 Å²	84	56.9 Å²	56.9	55%	0.545	34%	0.342	S	S	.	.	S	Bend	trans	-69.6	174.4	175.9	31	-35.3	0	0	0	112	H1120 V1125	P1112-H1120 PolarHBondContact O-CE1 3.14Å; P1112-H1120 PolarHBondContact O-NE2 2.9Å; P1112-V1125 HydrophobicContact CG-CB 4.46Å; P1112-V1125 HydrophobicContact CG-CG2 4.24Å
1113	L	88.3	Confident	90.5	Very high	155 Å²	155	57.4 Å²	57.4	81%	0.812	33%	0.334	S	S	*	.			trans	-67.7	144.8	172.5	-70	172.2	0	0	0	111.3
1114	P	90.8	Very high	90.4	Very high	23 Å²	23	56.4 Å²	56.4	15%	0.149	33%	0.33	C	S	.	.			trans	-71.6	139.2	-177.1	29.5	-35.8	0	0	0	112.8	N1116 G1117 M1119 H1120	P1114-N1116 PolarHBondContact O-N 3.4Å; P1114-G1117 PolarHBondContact O-N 3.08Å; P1114-M1119 VanDerWaalsContact CB-C 3.41Å; P1114-H1120 WeakPolarHBondContact CA-CE1 3.48Å
1115	S	87.4	Confident	90.3	Very high	107 Å²	107	58.3 Å²	58.3	75%	0.748	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.8	-178.2	-50.9	0	0	0	0	113.3	G1117	S1115-G1117 VanDerWaalsContact C-N 3.29Å
1116	N	87.9	Confident	90.5	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.5	178.3	63	17.8	0	0	0	113.6	P1114 V1118 M1119	P1114-N1116 PolarHBondContact O-N 3.4Å; N1116-V1118 PolarHBondContact O-N 3.17Å; N1116-V1118 WeakPolarHBondContact OD1-CA 3.37Å; N1116-V1118 PolarHBondContact OD1-N 3.16Å; N1116-M1119 PolarHBondContact ND2-O 3.05Å; N1116-M1119 PolarHBondContact OD1-N 3.44Å; N1116-M1119 PolarHBondContact OD1-O 3.42Å; N1116-M1119 VanDerWaalsContact OD1-O 3.05Å
1117	G	85.7	Confident	90.6	Very high	24 Å²	24	50.7 Å²	50.7	25%	0.247	30%	0.301	C	S	.	.	S	Bend	trans	71.1	4	-176.9	0	0	0	0	0	115.2	P1114 S1115 R1240	P1114-G1117 PolarHBondContact O-N 3.08Å; S1115-G1117 VanDerWaalsContact C-N 3.29Å; G1117-R1240 PolarHBondContact O-NH1 3.23Å; G1117-R1240 PolarHBondContact O-NH2 3.35Å; G1117-R1240 VanDerWaalsContact O-NH2 3.07Å
1118	V	87.6	Confident	90.8	Very high	81 Å²	81	47.1 Å²	47.1	49%	0.491	27%	0.271	S	S	.	.	S	Bend	trans	-117.4	-67.9	-175.9	-174.8	0	0	0	0	111.4	N1116 F1242	N1116-V1118 PolarHBondContact O-N 3.17Å; N1116-V1118 WeakPolarHBondContact OD1-CA 3.37Å; N1116-V1118 PolarHBondContact OD1-N 3.16Å; V1118-F1242 HydrophobicContact CB-CZ 4.34Å; V1118-F1242 HydrophobicContact CG1-CZ 4.11Å; V1118-F1242 HydrophobicContact CG2-CE1 3.8Å; V1118-F1242 HydrophobicContact CG2-CZ 3.77Å
1119	M	90.2	Very high	90.9	Very high	56 Å²	56	45.5 Å²	45.5	28%	0.276	26%	0.263	S	S	.	.			trans	-159.8	152.9	-179.1	60.2	179.9	-84	0	0	111	P1114 N1116 V1121 R1173 L1177	P1114-M1119 VanDerWaalsContact CB-C 3.41Å; N1116-M1119 PolarHBondContact ND2-O 3.05Å; N1116-M1119 PolarHBondContact OD1-N 3.44Å; N1116-M1119 PolarHBondContact OD1-O 3.42Å; N1116-M1119 VanDerWaalsContact OD1-O 3.05Å; M1119-V1121 HydrophobicContact CG-CG2 4.32Å; M1119-R1173 HydrophobicContact CE-CB 4.32Å; M1119-R1173 HydrophobicContact CE-CG 3.69Å; M1119-R1173 HydrophobicContact SD-CG 4.46Å; M1119-L1177 HydrophobicContact CE-CD1 3.97Å
1120	H	90.4	Very high	91	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.037	26%	0.262	C	S	.	.			trans	-67.6	138.4	170.5	-63.8	-69.1	0	0	0	109.9	P1112 P1114 E1123 E1126	P1112-H1120 PolarHBondContact O-CE1 3.14Å; P1112-H1120 PolarHBondContact O-NE2 2.9Å; P1114-H1120 WeakPolarHBondContact CA-CE1 3.48Å; H1120-E1123 HydrophobicContact CB-CB 4.37Å; H1120-E1126 IonicContact CD2-OE1 3.52Å
1121	V	89.1	Confident	91.3	Very high	57 Å²	57	40.6 Å²	40.6	35%	0.345	24%	0.244	S	C	.	.	S	Bend	trans	-123.4	-56.4	-176.9	-178.4	0	0	0	0	110.3	M1119 E1123 R1129 L1177	M1119-V1121 HydrophobicContact CG-CG2 4.32Å; V1121-E1123 PolarHBondContact N-OE2 3.4Å; V1121-R1129 PolarHBondContact O-NH2 3.22Å; V1121-L1177 HydrophobicContact CG1-CD2 4.25Å
1122	D	89.4	Confident	91.5	Very high	42 Å²	42	39.6 Å²	39.6	23%	0.225	23%	0.234	C	C	.	.	S	Bend	trans	-99.6	-21	-179.3	-63.5	-27	0	0	0	111.7	I959 C960 R961	I959-D1122 CarbonylContact C-O 3.4Å; I959-D1122 WeakPolarHBondContact CA-O 3.31Å; I959-D1122 HydrophobicContact CG2-CB 3.51Å; C960-D1122 PolarHBondContact N-O 3.43Å; R961-D1122 HydrophobicContact CG-CB 4.12Å; R961-D1122 WeakPolarHBondContact CG-OD2 3.26Å; R961-D1122 IonicContact CZ-OD2 3.31Å; R961-D1122 IonicContact NE-OD2 3.26Å; R961-D1122 PolarHBondContact NE-OD2 2.98Å; R961-D1122 IonicContact NH2-OD2 3.76Å
1123	E	91.5	Very high	91.6	Very high	49 Å²	49	35.6 Å²	35.6	23%	0.229	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-70.6	133.1	-177.2	-57.4	88.1	164.9	0	0	111.7	H1120 V1121 V1125	H1120-E1123 HydrophobicContact CB-CB 4.37Å; V1121-E1123 PolarHBondContact N-OE2 3.4Å; E1123-V1125 HydrophobicContact CB-CG1 4.38Å; E1123-V1125 HydrophobicContact CB-CG2 4.16Å; E1123-V1125 PolarHBondContact O-N 3.38Å
1124	C	92.4	Very high	92	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.027	17%	0.17	C	C	.	.			trans	-100.3	63.2	177.6	-61.3	0	0	0	0	111.2	M956 P957 K958 R1129	M956-C1124 HydrophobicContact CE-CB 4.37Å; M956-C1124 HydrophobicContact CG-CB 3.63Å; P957-C1124 WeakPolarHBondContact O-CB 3.36Å; K958-C1124 PolarHBondContact O-N 2.93Å; C1124-R1129 HydrophobicContact CB-CB 4.17Å
1125	V	92.3	Very high	92.2	Very high	41 Å²	41	27.3 Å²	27.3	25%	0.248	16%	0.163	C	C	.	.			trans	-117.4	-2.3	-173.9	-61.2	0	0	0	0	114.2	G1111 P1112 E1123	G1111-V1125 VanDerWaalsContact CA-O 3.26Å; G1111-V1125 WeakPolarHBondContact CA-O 3.46Å; P1112-V1125 HydrophobicContact CG-CB 4.46Å; P1112-V1125 HydrophobicContact CG-CG2 4.24Å; E1123-V1125 HydrophobicContact CB-CG1 4.38Å; E1123-V1125 HydrophobicContact CB-CG2 4.16Å; E1123-V1125 PolarHBondContact O-N 3.38Å
1126	E	94	Very high	92.6	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.047	13%	0.127	C	C	.	.	S	Bend	trans	-107.2	149.2	178.1	-60	-169.3	121	0	0	110.3	H1120 H1128 R1129 R1173	H1120-E1126 IonicContact CD2-OE1 3.52Å; E1126-H1128 VanDerWaalsContact C-N 3.29Å; E1126-H1128 VanDerWaalsContact CB-CD2 3.5Å; E1126-H1128 WeakPolarHBondContact CB-CD2 3.23Å; E1126-H1128 PolarHBondContact O-N 3.13Å; E1126-H1128 IonicContact OE2-CD2 3.77Å; E1126-H1128 PolarHBondContact OE2-CD2 3.01Å; E1126-H1128 IonicContact OE2-CE1 2.7Å; E1126-H1128 IonicContact OE2-NE2 3.23Å; E1126-H1128 PolarHBondContact OE2-NE2 3.34Å; E1126-R1129 WeakPolarHBondContact O-CB 3.42Å; E1126-R1129 PolarHBondContact O-N 3.46Å; E1126-R1173 IonicContact OE1-CZ 3.81Å; E1126-R1173 IonicContact OE1-NE 2.89Å; E1126-R1173 PolarHBondContact OE1-NE 3.31Å; E1126-R1173 IonicContact OE1-NH2 2.82Å; E1126-R1173 PolarHBondContact OE1-NH2 3.3Å; E1126-R1173 IonicContact OE2-CZ 3.35Å; E1126-R1173 IonicContact OE2-NE 3.37Å; E1126-R1173 PolarHBondContact OE2-NE 2.96Å; E1126-R1173 IonicContact OE2-NH2 2.77Å
1127	F	95.9	Very high	92.9	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-54.2	-40.8	-178.8	176.3	-99.5	0	0	0	113.8	V949 W1109 R1129 L1130 W1131 I1164 I1165 L1168	V949-F1127 HydrophobicContact CG1-CD2 4.18Å; V949-F1127 HydrophobicContact CG2-CD2 4.13Å; V949-F1127 HydrophobicContact CG2-CE2 3.87Å; W1109-F1127 HydrophobicContact CE3-CB 4.06Å; W1109-F1127 AromaticContact CE3-CD2 3.71Å; W1109-F1127 HydrophobicContact CE3-CD2 3.71Å; W1109-F1127 HydrophobicContact CE3-CE2 4.37Å; W1109-F1127 AromaticContact CE3-CG 3.92Å; W1109-F1127 HydrophobicContact CE3-CG 3.92Å; W1109-F1127 AromaticContact CZ3-CD2 3.45Å; W1109-F1127 HydrophobicContact CZ3-CD2 3.45Å; W1109-F1127 VanDerWaalsContact CZ3-CD2 3.45Å; W1109-F1127 AromaticContact CZ3-CE2 3.67Å; W1109-F1127 HydrophobicContact CZ3-CE2 3.67Å; W1109-F1127 HydrophobicContact CZ3-CG 4.04Å; W1109-F1127 HydrophobicContact CZ3-CZ 4.42Å; W1109-F1127 PolarHBondContact O-N 3.19Å; F1127-R1129 PolarHBondContact O-N 3.01Å; F1127-R1129 VanDerWaalsContact O-N 3.13Å; F1127-L1130 WeakPolarHBondContact O-CB 3.28Å; F1127-L1130 PolarHBondContact O-N 3.05Å; F1127-W1131 HydrophobicContact CE1-CB 4.27Å; F1127-W1131 PolarHBondContact O-N 3.35Å; F1127-I1164 HydrophobicContact CD1-CB 4.09Å; F1127-I1164 HydrophobicContact CD1-CG2 3.4Å; F1127-I1164 VanDerWaalsContact CD1-CG2 3.4Å; F1127-I1164 HydrophobicContact CD2-CG2 4.46Å; F1127-I1164 HydrophobicContact CE1-CB 3.67Å; F1127-I1164 HydrophobicContact CE1-CD1 4.19Å; F1127-I1164 HydrophobicContact CE1-CG2 3.45Å; F1127-I1164 VanDerWaalsContact CE1-CG2 3.45Å; F1127-I1164 HydrophobicContact CE2-CG2 4.5Å; F1127-I1164 HydrophobicContact CG-CG2 3.94Å; F1127-I1164 HydrophobicContact CZ-CB 4.24Å; F1127-I1164 HydrophobicContact CZ-CD1 3.87Å; F1127-I1164 HydrophobicContact CZ-CG2 4.02Å; F1127-I1165 HydrophobicContact CD1-CG1 3.95Å; F1127-I1165 HydrophobicContact CE1-CG1 4.04Å; F1127-L1168 HydrophobicContact CB-CD1 4.05Å
1128	H	95.6	Very high	93.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-26.5	179.5	77.7	89.7	0	0	0	113.7	E1126 W1131 S1132 I1165 Q1170 F1174	E1126-H1128 VanDerWaalsContact C-N 3.29Å; E1126-H1128 VanDerWaalsContact CB-CD2 3.5Å; E1126-H1128 WeakPolarHBondContact CB-CD2 3.23Å; E1126-H1128 PolarHBondContact O-N 3.13Å; E1126-H1128 IonicContact OE2-CD2 3.77Å; E1126-H1128 PolarHBondContact OE2-CD2 3.01Å; E1126-H1128 IonicContact OE2-CE1 2.7Å; E1126-H1128 IonicContact OE2-NE2 3.23Å; E1126-H1128 PolarHBondContact OE2-NE2 3.34Å; H1128-W1131 PolarHBondContact O-N 3.25Å; H1128-S1132 PolarHBondContact O-N 2.88Å; H1128-S1132 PolarHBondContact O-OG 3.28Å; H1128-I1165 HydrophobicContact CB-CD1 4.09Å; H1128-I1165 HydrophobicContact CB-CG1 4Å; H1128-I1165 HydrophobicContact CB-CG2 4.42Å; H1128-Q1170 HydrophobicContact CB-CB 4.06Å; H1128-Q1170 PolarHBondContact CD2-OE1 2.94Å; H1128-F1174 HydrophobicContact CB-CB 3.94Å; H1128-F1174 HydrophobicContact CB-CD2 4.07Å; H1128-F1174 HydrophobicContact CB-CG 4.41Å
1129	R	94.6	Very high	93.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-70.5	-40.3	174.2	-72.2	-61.6	-149.4	168.3	-2.1	112.3	V1121 C1124 E1126 F1127 W1131 S1132 A1133 L1177	V1121-R1129 PolarHBondContact O-NH2 3.22Å; C1124-R1129 HydrophobicContact CB-CB 4.17Å; E1126-R1129 WeakPolarHBondContact O-CB 3.42Å; E1126-R1129 PolarHBondContact O-N 3.46Å; F1127-R1129 PolarHBondContact O-N 3.01Å; F1127-R1129 VanDerWaalsContact O-N 3.13Å; R1129-W1131 VanDerWaalsContact C-N 3.33Å; R1129-S1132 WeakPolarHBondContact O-CB 3.43Å; R1129-S1132 PolarHBondContact O-N 3.15Å; R1129-A1133 PolarHBondContact O-N 3.29Å; R1129-A1133 VanDerWaalsContact O-N 3.15Å; R1129-L1177 PolarHBondContact NH1-O 3.4Å
1130	L	94.6	Very high	93.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.8	-41.1	171.6	175.6	61.1	0	0	0	110.6	V949 L952 M953 M956 I983 F1127 S1132 A1133 M1134	V949-L1130 HydrophobicContact CB-CD2 4.35Å; V949-L1130 HydrophobicContact CG1-CD2 4.13Å; V949-L1130 HydrophobicContact CG2-CD2 4.18Å; L952-L1130 HydrophobicContact CB-CD1 3.69Å; L952-L1130 HydrophobicContact CB-CD2 4.05Å; L952-L1130 HydrophobicContact CD1-CD1 4.45Å; M953-L1130 HydrophobicContact CE-CB 3.81Å; M953-L1130 HydrophobicContact CE-CD2 4.24Å; M953-L1130 HydrophobicContact SD-CB 4.47Å; M956-L1130 HydrophobicContact SD-CD1 4.5Å; I983-L1130 HydrophobicContact CD1-CD1 4.4Å; F1127-L1130 WeakPolarHBondContact O-CB 3.28Å; F1127-L1130 PolarHBondContact O-N 3.05Å; L1130-S1132 VanDerWaalsContact C-N 3.34Å; L1130-S1132 PolarHBondContact O-N 3.29Å; L1130-A1133 WeakPolarHBondContact O-CB 3.43Å; L1130-A1133 PolarHBondContact O-N 3.22Å; L1130-A1133 VanDerWaalsContact O-N 3.1Å; L1130-M1134 HydrophobicContact CD1-CE 4.19Å; L1130-M1134 HydrophobicContact CD2-CE 4.17Å; L1130-M1134 HydrophobicContact CG-CE 4.01Å; L1130-M1134 WeakPolarHBondContact O-CG 3.47Å; L1130-M1134 PolarHBondContact O-N 3.42Å
1131	W	96.8	Very high	93.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.5	-38.4	173.9	-172.8	-110.8	0	0	0	112.5	L997 F1127 H1128 R1129 A1133 M1134 Q1135 Y1138 L1157 I1165 F1174	L997-W1131 HydrophobicContact CD1-CZ3 3.93Å; F1127-W1131 HydrophobicContact CE1-CB 4.27Å; F1127-W1131 PolarHBondContact O-N 3.35Å; H1128-W1131 PolarHBondContact O-N 3.25Å; R1129-W1131 VanDerWaalsContact C-N 3.33Å; W1131-A1133 VanDerWaalsContact C-N 3.26Å; W1131-A1133 PolarHBondContact O-N 2.9Å; W1131-M1134 HydrophobicContact CE3-CB 4.17Å; W1131-M1134 HydrophobicContact CE3-SD 3.84Å; W1131-M1134 HydrophobicContact CZ3-CB 4.5Å; W1131-M1134 HydrophobicContact CZ3-SD 4.08Å; W1131-M1134 CarbonylContact O-C 3.55Å; W1131-M1134 PolarHBondContact O-N 2.89Å; W1131-Q1135 WeakPolarHBondContact O-CB 3.3Å; W1131-Q1135 PolarHBondContact O-N 3Å; W1131-Y1138 HydrophobicContact CH2-CE1 4.18Å; W1131-Y1138 HydrophobicContact CZ2-CE1 4.04Å; W1131-L1157 HydrophobicContact CH2-CD1 4.06Å; W1131-L1157 HydrophobicContact CH2-CG 4.11Å; W1131-L1157 HydrophobicContact CZ3-CD1 4.35Å; W1131-I1165 HydrophobicContact CB-CD1 3.85Å; W1131-I1165 HydrophobicContact CG-CD1 3.66Å; W1131-F1174 AromaticContact CD1-CE2 3.65Å; W1131-F1174 AromaticContact CD1-CZ 3.82Å
1132	S	95.7	Very high	93.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-35.4	171.9	-70	0	0	0	0	113	H1128 R1129 L1130 F1136 F1174 D1178	H1128-S1132 PolarHBondContact O-N 2.88Å; H1128-S1132 PolarHBondContact O-OG 3.28Å; R1129-S1132 WeakPolarHBondContact O-CB 3.43Å; R1129-S1132 PolarHBondContact O-N 3.15Å; L1130-S1132 VanDerWaalsContact C-N 3.34Å; L1130-S1132 PolarHBondContact O-N 3.29Å; S1132-F1136 PolarHBondContact O-N 2.9Å; S1132-F1174 WeakPolarHBondContact OG-CD2 3.34Å; S1132-F1174 VanDerWaalsContact OG-CE2 3.29Å; S1132-F1174 WeakPolarHBondContact OG-CE2 3.28Å; S1132-D1178 VanDerWaalsContact CA-OD1 3.24Å; S1132-D1178 WeakPolarHBondContact CA-OD1 3.41Å; S1132-D1178 WeakPolarHBondContact CB-OD1 3.3Å; S1132-D1178 WeakPolarHBondContact OG-CA 3.43Å; S1132-D1178 PolarHBondContact OG-OD1 3.28Å
1133	A	94.5	Very high	93.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.1	-45.8	173.4	0	0	0	0	0	111.5	M956 L980 I983 R1129 L1130 W1131 Q1135 F1136 V1137	M956-A1133 HydrophobicContact CE-CB 3.8Å; M956-A1133 HydrophobicContact SD-CB 3.71Å; L980-A1133 HydrophobicContact CD1-CB 4.48Å; L980-A1133 HydrophobicContact CD2-CB 4.01Å; I983-A1133 HydrophobicContact CB-CB 4.5Å; I983-A1133 HydrophobicContact CG1-CB 4.35Å; I983-A1133 HydrophobicContact CG2-CB 4.03Å; R1129-A1133 PolarHBondContact O-N 3.29Å; R1129-A1133 VanDerWaalsContact O-N 3.15Å; L1130-A1133 WeakPolarHBondContact O-CB 3.43Å; L1130-A1133 PolarHBondContact O-N 3.22Å; L1130-A1133 VanDerWaalsContact O-N 3.1Å; W1131-A1133 VanDerWaalsContact C-N 3.26Å; W1131-A1133 PolarHBondContact O-N 2.9Å; A1133-Q1135 VanDerWaalsContact C-N 3.26Å; A1133-Q1135 PolarHBondContact O-N 2.95Å; A1133-F1136 WeakPolarHBondContact O-CB 3.39Å; A1133-F1136 PolarHBondContact O-N 2.88Å; A1133-F1136 VanDerWaalsContact O-N 3.17Å; A1133-V1137 WeakPolarHBondContact O-CG2 3.43Å; A1133-V1137 PolarHBondContact O-N 3.22Å; A1133-V1137 VanDerWaalsContact O-N 3.08Å
1134	M	95.2	Very high	93.1	Very high	4 Å²	4	16 Å²	16	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-39.8	173.6	-66	-175.6	177.2	0	0	111.7	L952 L989 F994 L997 L1130 W1131 V1137 Y1138	L952-M1134 HydrophobicContact CD1-CE 3.57Å; L989-M1134 HydrophobicContact CD1-CE 3.97Å; L989-M1134 HydrophobicContact CD1-CG 4.25Å; F994-M1134 HydrophobicContact CE1-CB 4.05Å; F994-M1134 HydrophobicContact CE1-CG 4.17Å; F994-M1134 HydrophobicContact CE1-SD 4.11Å; F994-M1134 HydrophobicContact CZ-CB 4.4Å; L997-M1134 HydrophobicContact CD1-SD 4.38Å; L1130-M1134 HydrophobicContact CD1-CE 4.19Å; L1130-M1134 HydrophobicContact CD2-CE 4.17Å; L1130-M1134 HydrophobicContact CG-CE 4.01Å; L1130-M1134 WeakPolarHBondContact O-CG 3.47Å; L1130-M1134 PolarHBondContact O-N 3.42Å; W1131-M1134 HydrophobicContact CE3-CB 4.17Å; W1131-M1134 HydrophobicContact CE3-SD 3.84Å; W1131-M1134 HydrophobicContact CZ3-CB 4.5Å; W1131-M1134 HydrophobicContact CZ3-SD 4.08Å; W1131-M1134 CarbonylContact O-C 3.55Å; W1131-M1134 PolarHBondContact O-N 2.89Å; M1134-V1137 WeakPolarHBondContact O-CB 3.49Å; M1134-V1137 PolarHBondContact O-N 3.46Å; M1134-V1137 VanDerWaalsContact O-N 3.12Å; M1134-Y1138 WeakPolarHBondContact O-CD1 3.31Å; M1134-Y1138 PolarHBondContact O-N 3.41Å
1135	Q	95.6	Very high	92.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.9	176.8	158	-89.2	0	0	112.7	W1131 A1133 V1137 Y1138 C1139 D1178 Y1181 N1215	W1131-Q1135 WeakPolarHBondContact O-CB 3.3Å; W1131-Q1135 PolarHBondContact O-N 3Å; A1133-Q1135 VanDerWaalsContact C-N 3.26Å; A1133-Q1135 PolarHBondContact O-N 2.95Å; Q1135-V1137 VanDerWaalsContact C-N 3.29Å; Q1135-V1137 PolarHBondContact O-N 3.39Å; Q1135-Y1138 HydrophobicContact CB-CE1 3.94Å; Q1135-Y1138 HydrophobicContact CB-CE2 4.01Å; Q1135-Y1138 VanDerWaalsContact CB-OH 3.28Å; Q1135-Y1138 WeakPolarHBondContact CB-OH 3.32Å; Q1135-Y1138 HydrophobicContact CG-CE2 3.7Å; Q1135-Y1138 WeakPolarHBondContact CG-OH 3.48Å; Q1135-Y1138 PolarHBondContact O-N 3.44Å; Q1135-Y1138 PolarHBondContact OE1-OH 3.33Å; Q1135-C1139 VanDerWaalsContact O-CB 3.23Å; Q1135-C1139 WeakPolarHBondContact O-CB 3.43Å; Q1135-C1139 PolarHBondContact O-N 3.38Å; Q1135-C1139 PolarHBondContact O-SG 3.08Å; Q1135-D1178 PolarHBondContact NE2-OD1 2.97Å; Q1135-D1178 PolarHBondContact NE2-OD2 3.5Å; Q1135-Y1181 VanDerWaalsContact NE2-CE1 3.29Å; Q1135-N1215 PolarHBondContact OE1-ND2 2.64Å
1136	F	95.1	Very high	92.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-45.5	171.8	-174.5	-99.6	0	0	0	110.9	L973 F976 H977 L980 V984 S1132 A1133 C1139 I1140 M1204	L973-F1136 HydrophobicContact CD1-CE2 3.9Å; L973-F1136 HydrophobicContact CD1-CZ 3.86Å; F976-F1136 HydrophobicContact CB-CD2 4.3Å; F976-F1136 HydrophobicContact CB-CE2 3.74Å; F976-F1136 HydrophobicContact CB-CZ 3.88Å; H977-F1136 AromaticContact CD2-CZ 3.8Å; H977-F1136 AromaticContact CG-CZ 3.97Å; H977-F1136 AromaticContact ND1-CE1 3.96Å; H977-F1136 AromaticContact NE2-CZ 3.94Å; L980-F1136 HydrophobicContact CB-CD1 4.37Å; L980-F1136 HydrophobicContact CD1-CB 3.75Å; L980-F1136 HydrophobicContact CD1-CD1 3.69Å; L980-F1136 HydrophobicContact CD1-CD2 4.38Å; L980-F1136 HydrophobicContact CD1-CE1 4.38Å; L980-F1136 HydrophobicContact CD1-CG 3.68Å; V984-F1136 HydrophobicContact CG2-CD1 4.25Å; V984-F1136 HydrophobicContact CG2-CE1 4.35Å; S1132-F1136 PolarHBondContact O-N 2.9Å; A1133-F1136 WeakPolarHBondContact O-CB 3.39Å; A1133-F1136 PolarHBondContact O-N 2.88Å; A1133-F1136 VanDerWaalsContact O-N 3.17Å; F1136-C1139 PolarHBondContact O-N 2.95Å; F1136-I1140 HydrophobicContact CD1-CD1 4.46Å; F1136-I1140 HydrophobicContact CE1-CD1 4.29Å; F1136-I1140 WeakPolarHBondContact O-CG1 3.49Å; F1136-I1140 PolarHBondContact O-N 2.71Å; F1136-M1204 HydrophobicContact CD2-CE 3.66Å; F1136-M1204 HydrophobicContact CE2-CE 3.67Å; F1136-M1204 HydrophobicContact CG-CE 4.34Å; F1136-M1204 HydrophobicContact CZ-CE 4.35Å
1137	V	93.9	Very high	91.9	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-49.8	179.1	-178.8	0	0	0	0	112.5	I983 V984 L989 A1133 M1134 Q1135 C1139 I1140	I983-V1137 HydrophobicContact CG2-CG2 4.14Å; V984-V1137 HydrophobicContact CB-CG2 4.36Å; V984-V1137 HydrophobicContact CG2-CG2 3.85Å; L989-V1137 HydrophobicContact CD2-CB 4.19Å; L989-V1137 HydrophobicContact CD2-CG1 3.96Å; L989-V1137 HydrophobicContact CD2-CG2 3.96Å; A1133-V1137 WeakPolarHBondContact O-CG2 3.43Å; A1133-V1137 PolarHBondContact O-N 3.22Å; A1133-V1137 VanDerWaalsContact O-N 3.08Å; M1134-V1137 WeakPolarHBondContact O-CB 3.49Å; M1134-V1137 PolarHBondContact O-N 3.46Å; M1134-V1137 VanDerWaalsContact O-N 3.12Å; Q1135-V1137 VanDerWaalsContact C-N 3.29Å; Q1135-V1137 PolarHBondContact O-N 3.39Å; V1137-C1139 VanDerWaalsContact C-N 3.3Å; V1137-C1139 PolarHBondContact O-N 3.4Å; V1137-I1140 WeakPolarHBondContact O-CB 3.49Å; V1137-I1140 PolarHBondContact O-N 2.73Å
1138	Y	94.2	Very high	91.7	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-78.7	-14.1	-174.7	67.5	-125	0	0	0	114.3	F994 W1131 M1134 Q1135 V1149 H1158 R1207 F1211	F994-Y1138 HydrophobicContact CZ-CD1 4.19Å; W1131-Y1138 HydrophobicContact CH2-CE1 4.18Å; W1131-Y1138 HydrophobicContact CZ2-CE1 4.04Å; M1134-Y1138 WeakPolarHBondContact O-CD1 3.31Å; M1134-Y1138 PolarHBondContact O-N 3.41Å; Q1135-Y1138 HydrophobicContact CB-CE1 3.94Å; Q1135-Y1138 HydrophobicContact CB-CE2 4.01Å; Q1135-Y1138 VanDerWaalsContact CB-OH 3.28Å; Q1135-Y1138 WeakPolarHBondContact CB-OH 3.32Å; Q1135-Y1138 HydrophobicContact CG-CE2 3.7Å; Q1135-Y1138 WeakPolarHBondContact CG-OH 3.48Å; Q1135-Y1138 PolarHBondContact O-N 3.44Å; Q1135-Y1138 PolarHBondContact OE1-OH 3.33Å; Y1138-V1149 HydrophobicContact CD2-CG1 4.47Å; Y1138-V1149 HydrophobicContact CG-CG1 4.31Å; Y1138-H1158 AromaticContact CE1-CE1 3.99Å; Y1138-H1158 AromaticContact CE2-CE1 3.74Å; Y1138-H1158 AromaticContact CZ-CE1 3.66Å; Y1138-H1158 AromaticContact CZ-ND1 3.81Å; Y1138-R1207 PolarHBondContact O-NH2 3.01Å; Y1138-F1211 HydrophobicContact CD2-CD1 4.36Å; Y1138-F1211 AromaticContact CD2-CD2 3.98Å; Y1138-F1211 HydrophobicContact CD2-CD2 3.98Å; Y1138-F1211 HydrophobicContact CD2-CE1 4.32Å; Y1138-F1211 AromaticContact CD2-CE2 3.91Å; Y1138-F1211 HydrophobicContact CD2-CE2 3.91Å; Y1138-F1211 HydrophobicContact CD2-CG 4.2Å; Y1138-F1211 HydrophobicContact CD2-CZ 4.09Å; Y1138-F1211 HydrophobicContact CE2-CB 4.13Å; Y1138-F1211 AromaticContact CE2-CD1 3.96Å; Y1138-F1211 HydrophobicContact CE2-CD1 3.96Å; Y1138-F1211 AromaticContact CE2-CD2 3.9Å; Y1138-F1211 HydrophobicContact CE2-CD2 3.9Å; Y1138-F1211 HydrophobicContact CE2-CE1 4.35Å; Y1138-F1211 HydrophobicContact CE2-CE2 4.28Å; Y1138-F1211 AromaticContact CE2-CG 3.73Å; Y1138-F1211 HydrophobicContact CE2-CG 3.73Å; Y1138-F1211 HydrophobicContact CE2-CZ 4.49Å
1139	C	94.9	Very high	91.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-76.5	-24.5	170.1	-76.7	0	0	0	0	112.7	Q1135 F1136 V1137 P1141 M1204 R1207 I1208 F1211	Q1135-C1139 VanDerWaalsContact O-CB 3.23Å; Q1135-C1139 WeakPolarHBondContact O-CB 3.43Å; Q1135-C1139 PolarHBondContact O-N 3.38Å; Q1135-C1139 PolarHBondContact O-SG 3.08Å; F1136-C1139 PolarHBondContact O-N 2.95Å; V1137-C1139 VanDerWaalsContact C-N 3.3Å; V1137-C1139 PolarHBondContact O-N 3.4Å; C1139-P1141 WeakPolarHBondContact O-CD 3.48Å; C1139-M1204 HydrophobicContact CB-CE 3.66Å; C1139-M1204 HydrophobicContact CB-SD 3.67Å; C1139-R1207 VanDerWaalsContact O-CD 3.3Å; C1139-R1207 WeakPolarHBondContact O-CD 3.45Å; C1139-R1207 PolarHBondContact O-NE 3.33Å; C1139-I1208 HydrophobicContact CB-CG1 3.77Å; C1139-F1211 VanDerWaalsContact SG-CD2 3.57Å
1140	I	93.4	Very high	91.3	Very high	33 Å²	33	38.1 Å²	38.1	17%	0.169	21%	0.214	C	C	.	.	S	Bend	trans	-55.7	123.5	178.6	-67.8	166.3	0	0	0	109.6	V984 F1136 V1137 V1142 V1199 M1204	V984-I1140 HydrophobicContact CG1-CD1 4.2Å; V984-I1140 HydrophobicContact CG2-CD1 4.31Å; F1136-I1140 HydrophobicContact CD1-CD1 4.46Å; F1136-I1140 HydrophobicContact CE1-CD1 4.29Å; F1136-I1140 WeakPolarHBondContact O-CG1 3.49Å; F1136-I1140 PolarHBondContact O-N 2.71Å; V1137-I1140 WeakPolarHBondContact O-CB 3.49Å; V1137-I1140 PolarHBondContact O-N 2.73Å; I1140-V1142 PolarHBondContact O-N 3.18Å; I1140-V1199 HydrophobicContact CG2-CG2 3.84Å; I1140-M1204 HydrophobicContact CG1-CE 4.27Å; I1140-M1204 HydrophobicContact CG1-SD 4.46Å
1141	P	91.1	Very high	90.9	Very high	24 Å²	24	42.9 Å²	42.9	16%	0.156	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.4	130.4	174.7	-19.2	32.3	0	0	0	111.3	C1139 P1200 K1203 M1204	C1139-P1141 WeakPolarHBondContact O-CD 3.48Å; P1141-P1200 HydrophobicContact CG-CG 4.34Å; P1141-K1203 HydrophobicContact CB-CB 4.42Å; P1141-K1203 HydrophobicContact CG-CB 3.87Å; P1141-M1204 HydrophobicContact CG-CB 4.38Å
1142	V	90.1	Very high	90.6	Very high	51 Å²	51	43.3 Å²	43.3	31%	0.309	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-94.5	169.6	174	-64.7	0	0	0	0	111.2	I1140 E1146 T1148	I1140-V1142 PolarHBondContact O-N 3.18Å; V1142-E1146 HydrophobicContact CB-CB 3.92Å; V1142-E1146 WeakPolarHBondContact CB-OE2 3.31Å; V1142-E1146 HydrophobicContact CG2-CB 4.07Å; V1142-T1148 HydrophobicContact CG2-CG2 3.8Å
1143	G	85.2	Confident	90.5	Very high	37 Å²	37	43.4 Å²	43.4	38%	0.381	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-59.1	157.1	177.4	0	0	0	0	0	112.9	H1145 E1146	G1143-H1145 PolarHBondContact O-N 2.91Å; G1143-E1146 PolarHBondContact N-OE2 3.35Å; G1143-E1146 PolarHBondContact O-N 2.7Å
1144	A	80.6	Confident	90.5	Very high	105 Å²	105	43.6 Å²	43.6	87%	0.868	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	-176.6	0	0	0	0	0	114.7
1145	H	84.3	Confident	90.5	Very high	182 Å²	182	44.6 Å²	44.6	84%	0.843	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	8.1	177.8	-58.9	-56.3	0	0	0	113.1	G1143	G1143-H1145 PolarHBondContact O-N 2.91Å
1146	E	84.3	Confident	90.5	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	25%	0.246	S	C	*	.	S	Bend	trans	-99.2	144.6	176	-66.7	-177.9	149.7	0	0	110	V1142 G1143	V1142-E1146 HydrophobicContact CB-CB 3.92Å; V1142-E1146 WeakPolarHBondContact CB-OE2 3.31Å; V1142-E1146 HydrophobicContact CG2-CB 4.07Å; G1143-E1146 PolarHBondContact N-OE2 3.35Å; G1143-E1146 PolarHBondContact O-N 2.7Å
1147	F	84.9	Confident	90.6	Very high	115 Å²	115	44.6 Å²	44.6	50%	0.504	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-77.1	137.1	-178.8	-52.1	-71.4	0	0	0	111.2	I868	I868-F1147 HydrophobicContact CD1-CB 3.75Å; I868-F1147 HydrophobicContact CD1-CD1 4.45Å; I868-F1147 HydrophobicContact CD1-CD2 3.43Å; I868-F1147 VanDerWaalsContact CD1-CD2 3.43Å; I868-F1147 HydrophobicContact CD1-CE2 4.12Å; I868-F1147 HydrophobicContact CD1-CG 3.62Å; I868-F1147 HydrophobicContact CG2-CD1 3.97Å; I868-F1147 HydrophobicContact CG2-CE1 4.22Å; I868-F1147 HydrophobicContact CG2-CG 4.21Å
1148	T	90.3	Very high	90.7	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.141	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-83.5	165.7	177.9	61.7	0	0	0	0	111.9	V1142 E1150 Q1151 C1152	V1142-T1148 HydrophobicContact CG2-CG2 3.8Å; T1148-E1150 VanDerWaalsContact C-N 3.26Å; T1148-E1150 VanDerWaalsContact CB-OE1 3.24Å; T1148-E1150 WeakPolarHBondContact CB-OE1 3.28Å; T1148-E1150 WeakPolarHBondContact CB-OE2 3.38Å; T1148-E1150 PolarHBondContact O-N 3.23Å; T1148-E1150 WeakPolarHBondContact OG1-CG 3.35Å; T1148-E1150 PolarHBondContact OG1-OE1 3.03Å; T1148-E1150 PolarHBondContact OG1-OE2 2.93Å; T1148-Q1151 VanDerWaalsContact N-OE1 3.15Å; T1148-Q1151 PolarHBondContact O-N 3.46Å; T1148-Q1151 WeakPolarHBondContact OG1-CG 3.3Å; T1148-C1152 PolarHBondContact O-N 3.02Å; T1148-C1152 VanDerWaalsContact O-N 3.15Å; T1148-C1152 PolarHBondContact O-SG 3.42Å
1149	V	91.4	Very high	90.8	Very high	16 Å²	16	44.1 Å²	44.1	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-40	178.2	71.6	0	0	0	0	111.3	F994 Y1138 Q1151 C1152 F1153 L1157 F1211	F994-V1149 HydrophobicContact CD2-CG2 4.09Å; F994-V1149 HydrophobicContact CE2-CG2 4.22Å; Y1138-V1149 HydrophobicContact CD2-CG1 4.47Å; Y1138-V1149 HydrophobicContact CG-CG1 4.31Å; V1149-Q1151 VanDerWaalsContact C-N 3.28Å; V1149-Q1151 PolarHBondContact O-N 3.2Å; V1149-C1152 PolarHBondContact O-N 2.84Å; V1149-C1152 VanDerWaalsContact O-N 3.15Å; V1149-F1153 HydrophobicContact CG2-CD2 3.74Å; V1149-F1153 HydrophobicContact CG2-CE2 4.4Å; V1149-F1153 PolarHBondContact O-N 3.05Å; V1149-L1157 HydrophobicContact CG2-CD2 3.48Å; V1149-L1157 VanDerWaalsContact CG2-CD2 3.48Å; V1149-F1211 HydrophobicContact CG1-CE1 4.2Å; V1149-F1211 HydrophobicContact CG1-CZ 3.7Å
1150	E	90.3	Very high	90.9	Very high	65 Å²	65	44.1 Å²	44.1	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-70.7	-25.6	-178.1	59.8	-85.6	-167.3	0	0	112.2	T1148 G1154 R1207	T1148-E1150 VanDerWaalsContact C-N 3.26Å; T1148-E1150 VanDerWaalsContact CB-OE1 3.24Å; T1148-E1150 WeakPolarHBondContact CB-OE1 3.28Å; T1148-E1150 WeakPolarHBondContact CB-OE2 3.38Å; T1148-E1150 PolarHBondContact O-N 3.23Å; T1148-E1150 WeakPolarHBondContact OG1-CG 3.35Å; T1148-E1150 PolarHBondContact OG1-OE1 3.03Å; T1148-E1150 PolarHBondContact OG1-OE2 2.93Å; E1150-G1154 VanDerWaalsContact O-CA 3.23Å; E1150-G1154 WeakPolarHBondContact O-CA 3.37Å; E1150-G1154 PolarHBondContact O-N 2.83Å; E1150-G1154 VanDerWaalsContact O-N 3.12Å; E1150-R1207 IonicContact OE1-CZ 3.87Å; E1150-R1207 IonicContact OE1-NH1 2.91Å; E1150-R1207 PolarHBondContact OE1-NH1 2.97Å; E1150-R1207 IonicContact OE1-NH2 3.76Å; E1150-R1207 PolarHBondContact OE1-NH2 3.29Å; E1150-R1207 IonicContact OE2-CZ 3.72Å; E1150-R1207 IonicContact OE2-NH1 3.99Å; E1150-R1207 IonicContact OE2-NH2 2.73Å; E1150-R1207 PolarHBondContact OE2-NH2 2.9Å
1151	Q	88.1	Confident	91	Very high	101 Å²	101	42.6 Å²	42.6	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-76.2	-33.3	170.9	-72	173.9	-18.6	0	0	112.4	T1148 V1149	T1148-Q1151 VanDerWaalsContact N-OE1 3.15Å; T1148-Q1151 PolarHBondContact O-N 3.46Å; T1148-Q1151 WeakPolarHBondContact OG1-CG 3.3Å; V1149-Q1151 VanDerWaalsContact C-N 3.28Å; V1149-Q1151 PolarHBondContact O-N 3.2Å
1152	C	90.1	Very high	91.3	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-86.6	-36	-176.2	-57.5	0	0	0	0	113.5	C856 T867 I868 T1148 V1149	C856-C1152 PolarHBondContact SG-O 3.33Å; T867-C1152 PolarHBondContact OG1-O 3.33Å; I868-C1152 HydrophobicContact CD1-CB 4.45Å; I868-C1152 WeakPolarHBondContact CD1-SG 3.39Å; I868-C1152 HydrophobicContact CG1-CB 4.41Å; T1148-C1152 PolarHBondContact O-N 3.02Å; T1148-C1152 VanDerWaalsContact O-N 3.15Å; T1148-C1152 PolarHBondContact O-SG 3.42Å; V1149-C1152 PolarHBondContact O-N 2.84Å; V1149-C1152 VanDerWaalsContact O-N 3.15Å
1153	F	93.1	Very high	91.6	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-15.2	-172.8	-54.2	-80.8	0	0	0	113.1	F871 K990 F994 Q995 R998 V1149 L1157	F871-F1153 HydrophobicContact CD1-CE1 4.12Å; F871-F1153 AromaticContact CD1-CZ 3.99Å; F871-F1153 HydrophobicContact CD1-CZ 3.99Å; F871-F1153 HydrophobicContact CE1-CE1 4.16Å; F871-F1153 AromaticContact CE1-CZ 3.62Å; F871-F1153 HydrophobicContact CE1-CZ 3.62Å; F871-F1153 HydrophobicContact CZ-CZ 4.15Å; K990-F1153 HydrophobicContact CB-CZ 4.37Å; K990-F1153 WeakPolarHBondContact O-CZ 3.34Å; F994-F1153 HydrophobicContact CB-CD1 4.2Å; F994-F1153 HydrophobicContact CB-CD2 4.18Å; F994-F1153 HydrophobicContact CB-CE1 3.97Å; F994-F1153 HydrophobicContact CB-CE2 3.93Å; F994-F1153 HydrophobicContact CB-CG 4.33Å; F994-F1153 HydrophobicContact CB-CZ 3.83Å; F994-F1153 HydrophobicContact CD2-CD2 4.43Å; F994-F1153 HydrophobicContact CD2-CE2 4.1Å; Q995-F1153 HydrophobicContact CB-CE1 4.18Å; R998-F1153 HydrophobicContact CB-CB 4.23Å; R998-F1153 HydrophobicContact CB-CD1 4.09Å; R998-F1153 VanDerWaalsContact CD-O 3.25Å; R998-F1153 WeakPolarHBondContact CD-O 3.4Å; R998-F1153 HydrophobicContact CG-CB 3.93Å; R998-F1153 HydrophobicContact CG-CD1 4.42Å; R998-F1153 WeakPolarHBondContact CG-O 3.49Å; V1149-F1153 HydrophobicContact CG2-CD2 3.74Å; V1149-F1153 HydrophobicContact CG2-CE2 4.4Å; V1149-F1153 PolarHBondContact O-N 3.05Å; F1153-L1157 HydrophobicContact CB-CB 4Å; F1153-L1157 HydrophobicContact CB-CD2 4.34Å
1154	G	95	Very high	92.1	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	57.9	-159.1	-175.3	0	0	0	0	0	113.3	E1150 G1156	E1150-G1154 VanDerWaalsContact O-CA 3.23Å; E1150-G1154 WeakPolarHBondContact O-CA 3.37Å; E1150-G1154 PolarHBondContact O-N 2.83Å; E1150-G1154 VanDerWaalsContact O-N 3.12Å; G1154-G1156 VanDerWaalsContact C-N 3.25Å; G1154-G1156 PolarHBondContact O-N 3.37Å
1155	D	95.6	Very high	92.8	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.5	-175.5	-62.6	-16.1	0	0	0	112.6	Y857 G859 L1157 H1158 W1159	Y857-D1155 HydrophobicContact CD1-CB 3.94Å; Y857-D1155 PolarHBondContact O-N 2.61Å; G859-D1155 PolarHBondContact N-OD2 3.22Å; D1155-L1157 VanDerWaalsContact C-N 3.27Å; D1155-L1157 PolarHBondContact O-N 3.01Å; D1155-H1158 PolarHBondContact O-N 3.34Å; D1155-W1159 VanDerWaalsContact O-CD1 3.31Å; D1155-W1159 PolarHBondContact O-N 2.82Å
1156	G	95.1	Very high	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.5	-39.9	-179.2	0	0	0	0	0	112.9	G1001 G1154 H1158 W1159 A1160	G1001-G1156 VanDerWaalsContact CA-O 3.31Å; G1001-G1156 WeakPolarHBondContact CA-O 3.4Å; G1154-G1156 VanDerWaalsContact C-N 3.25Å; G1154-G1156 PolarHBondContact O-N 3.37Å; G1156-H1158 VanDerWaalsContact C-N 3.3Å; G1156-H1158 PolarHBondContact O-N 3.05Å; G1156-W1159 PolarHBondContact O-N 3.47Å; G1156-A1160 PolarHBondContact O-N 3.47Å; G1156-A1160 VanDerWaalsContact O-N 3.12Å
1157	L	96.6	Very high	93.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-55.4	-46.6	174.7	172.8	60.4	0	0	0	112	F994 L997 W1131 V1149 F1153 D1155 A1160 G1161	F994-L1157 HydrophobicContact CB-CD1 3.98Å; F994-L1157 HydrophobicContact CB-CD2 4.17Å; F994-L1157 HydrophobicContact CD1-CD1 3.97Å; F994-L1157 HydrophobicContact CD1-CD2 4.29Å; F994-L1157 HydrophobicContact CD2-CD2 4.07Å; F994-L1157 HydrophobicContact CG-CD1 4.1Å; F994-L1157 HydrophobicContact CG-CD2 3.93Å; L997-L1157 HydrophobicContact CB-CD1 3.66Å; L997-L1157 HydrophobicContact CD1-CD1 4.1Å; W1131-L1157 HydrophobicContact CH2-CD1 4.06Å; W1131-L1157 HydrophobicContact CH2-CG 4.11Å; W1131-L1157 HydrophobicContact CZ3-CD1 4.35Å; V1149-L1157 HydrophobicContact CG2-CD2 3.48Å; V1149-L1157 VanDerWaalsContact CG2-CD2 3.48Å; F1153-L1157 HydrophobicContact CB-CB 4Å; F1153-L1157 HydrophobicContact CB-CD2 4.34Å; D1155-L1157 VanDerWaalsContact C-N 3.27Å; D1155-L1157 PolarHBondContact O-N 3.01Å; L1157-A1160 PolarHBondContact O-N 2.93Å; L1157-G1161 PolarHBondContact O-N 2.93Å
1158	H	96	Very high	94.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-72.6	-35.2	-177.7	-55.8	-69.5	0	0	0	111.6	Y1138 D1155 G1156 A1160 G1161 C1162 F1211 L1214 I1218	Y1138-H1158 AromaticContact CE1-CE1 3.99Å; Y1138-H1158 AromaticContact CE2-CE1 3.74Å; Y1138-H1158 AromaticContact CZ-CE1 3.66Å; Y1138-H1158 AromaticContact CZ-ND1 3.81Å; D1155-H1158 PolarHBondContact O-N 3.34Å; G1156-H1158 VanDerWaalsContact C-N 3.3Å; G1156-H1158 PolarHBondContact O-N 3.05Å; H1158-A1160 PolarHBondContact O-N 2.73Å; H1158-G1161 PolarHBondContact O-N 2.79Å; H1158-C1162 VanDerWaalsContact O-CB 3.24Å; H1158-C1162 WeakPolarHBondContact O-CB 3.29Å; H1158-C1162 PolarHBondContact O-N 3.5Å; H1158-C1162 PolarHBondContact O-SG 2.86Å; H1158-F1211 AromaticContact CE1-CD1 3.48Å; H1158-F1211 VanDerWaalsContact CE1-CD1 3.48Å; H1158-F1211 WeakPolarHBondContact CE1-CD1 3.35Å; H1158-F1211 AromaticContact CE1-CE1 3.46Å; H1158-F1211 VanDerWaalsContact CE1-CE1 3.46Å; H1158-F1211 WeakPolarHBondContact CE1-CE1 3.47Å; H1158-F1211 AromaticContact NE2-CD1 3.65Å; H1158-F1211 AromaticContact NE2-CE1 3.29Å; H1158-F1211 VanDerWaalsContact NE2-CE1 3.29Å; H1158-F1211 WeakPolarHBondContact NE2-CE1 3.25Å; H1158-L1214 HydrophobicContact CB-CD2 4.09Å; H1158-I1218 HydrophobicContact CB-CD1 3.83Å
1159	W	97.1	Very high	94.1	Very high	14 Å²	14	16.1 Å²	16.1	5%	0.053	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-43.6	173.5	-88.4	84.2	0	0	0	112.3	L1005 L1008 F1093 D1155 G1156 M1163 I1218 I1221 L1222	L1005-W1159 HydrophobicContact CD1-CB 4.4Å; L1005-W1159 HydrophobicContact CD1-CG 4.08Å; L1005-W1159 HydrophobicContact CD2-CD2 3.67Å; L1005-W1159 HydrophobicContact CD2-CE3 4.18Å; L1005-W1159 HydrophobicContact CD2-CG 3.99Å; L1005-W1159 HydrophobicContact CD2-CH2 4.39Å; L1005-W1159 HydrophobicContact CD2-CZ2 3.93Å; L1005-W1159 HydrophobicContact CG-CB 4.48Å; L1005-W1159 HydrophobicContact CG-CD2 4.11Å; L1005-W1159 HydrophobicContact CG-CG 4.04Å; L1008-W1159 HydrophobicContact CD2-CH2 3.79Å; L1008-W1159 HydrophobicContact CD2-CZ3 4.2Å; F1093-W1159 HydrophobicContact CZ-CZ3 4.27Å; D1155-W1159 VanDerWaalsContact O-CD1 3.31Å; D1155-W1159 PolarHBondContact O-N 2.82Å; G1156-W1159 PolarHBondContact O-N 3.47Å; W1159-M1163 WeakPolarHBondContact O-CB 3.06Å; W1159-M1163 PolarHBondContact O-N 3.38Å; W1159-I1218 HydrophobicContact CD2-CD1 4.49Å; W1159-I1218 HydrophobicContact CD2-CG1 4.28Å; W1159-I1218 HydrophobicContact CD2-CG2 3.96Å; W1159-I1218 HydrophobicContact CE3-CG2 4.09Å; W1159-I1218 HydrophobicContact CG-CD1 4.07Å; W1159-I1218 HydrophobicContact CG-CG1 4.38Å; W1159-I1218 HydrophobicContact CG-CG2 4.32Å; W1159-I1218 HydrophobicContact CZ2-CG1 4.31Å; W1159-I1218 HydrophobicContact CZ3-CG2 4.49Å; W1159-I1221 HydrophobicContact CH2-CB 4.3Å; W1159-I1221 HydrophobicContact CH2-CD1 4.19Å; W1159-I1221 HydrophobicContact CH2-CG2 3.87Å; W1159-I1221 HydrophobicContact CZ2-CD1 4.14Å; W1159-L1222 HydrophobicContact CE3-CD2 4.4Å; W1159-L1222 HydrophobicContact CZ3-CD2 4.07Å; W1159-L1222 HydrophobicContact CZ3-CG 4.45Å
1160	A	96.6	Very high	94.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.6	-48.4	176.5	0	0	0	0	0	112.9	L997 V1000 G1156 L1157 H1158 C1162 M1163 I1164	L997-A1160 HydrophobicContact CB-CB 4.21Å; L997-A1160 HydrophobicContact CD2-CB 4.12Å; L997-A1160 WeakPolarHBondContact O-CB 3.35Å; V1000-A1160 HydrophobicContact CB-CB 4.05Å; V1000-A1160 HydrophobicContact CG1-CB 3.97Å; G1156-A1160 PolarHBondContact O-N 3.47Å; G1156-A1160 VanDerWaalsContact O-N 3.12Å; L1157-A1160 PolarHBondContact O-N 2.93Å; H1158-A1160 PolarHBondContact O-N 2.73Å; A1160-C1162 PolarHBondContact O-N 3.47Å; A1160-M1163 PolarHBondContact O-N 2.66Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.49Å; A1160-I1164 PolarHBondContact O-N 3.06Å
1161	G	95.1	Very high	94.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-47.7	179.4	0	0	0	0	0	112.4	L1157 H1158 M1163 I1164 I1165	L1157-G1161 PolarHBondContact O-N 2.93Å; H1158-G1161 PolarHBondContact O-N 2.79Å; G1161-M1163 PolarHBondContact O-N 2.93Å; G1161-I1164 PolarHBondContact O-N 2.82Å; G1161-I1165 WeakPolarHBondContact O-CG1 3.42Å; G1161-I1165 PolarHBondContact O-N 3.43Å; G1161-I1165 VanDerWaalsContact O-N 3.16Å
1162	C	96.6	Very high	94.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-36.6	176.7	-63.6	0	0	0	0	112	H1158 A1160 I1165 A1166 I1218 F1219 L1222	H1158-C1162 VanDerWaalsContact O-CB 3.24Å; H1158-C1162 WeakPolarHBondContact O-CB 3.29Å; H1158-C1162 PolarHBondContact O-N 3.5Å; H1158-C1162 PolarHBondContact O-SG 2.86Å; A1160-C1162 PolarHBondContact O-N 3.47Å; C1162-I1165 PolarHBondContact O-N 3.01Å; C1162-A1166 VanDerWaalsContact O-CB 3.31Å; C1162-A1166 WeakPolarHBondContact O-CB 3.44Å; C1162-A1166 PolarHBondContact O-N 3.02Å; C1162-I1218 HydrophobicContact CB-CB 4.3Å; C1162-I1218 HydrophobicContact CB-CG2 3.61Å; C1162-F1219 HydrophobicContact CB-CD1 4.02Å; C1162-F1219 HydrophobicContact CB-CE1 3.64Å; C1162-F1219 HydrophobicContact CB-CZ 3.9Å; C1162-F1219 VanDerWaalsContact O-CE1 3.27Å; C1162-F1219 WeakPolarHBondContact O-CE1 3.3Å; C1162-L1222 HydrophobicContact CB-CD1 4.33Å
1163	M	96.6	Very high	94.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-49.2	174.8	-177.9	-141.7	53.7	0	0	111.4	L941 V1000 L1004 L1097 V1100 W1159 A1160 G1161 I1165 A1166 L1167 L1222	L941-M1163 HydrophobicContact CD1-CE 4.43Å; V1000-M1163 HydrophobicContact CG1-CE 4.3Å; L1004-M1163 HydrophobicContact CD1-CB 4.16Å; L1004-M1163 HydrophobicContact CD1-CE 4.11Å; L1004-M1163 HydrophobicContact CD1-CG 4.02Å; L1004-M1163 HydrophobicContact CD1-SD 3.22Å; L1004-M1163 WeakPolarHBondContact CD1-SD 3.38Å; L1004-M1163 HydrophobicContact CD2-SD 3.92Å; L1004-M1163 HydrophobicContact CG-SD 4.18Å; L1097-M1163 HydrophobicContact CD2-CG 3.93Å; L1097-M1163 HydrophobicContact CD2-SD 4.32Å; V1100-M1163 HydrophobicContact CB-SD 4.34Å; V1100-M1163 HydrophobicContact CG1-CE 3.71Å; V1100-M1163 HydrophobicContact CG1-SD 3.6Å; V1100-M1163 VanDerWaalsContact CG1-SD 3.6Å; W1159-M1163 WeakPolarHBondContact O-CB 3.06Å; W1159-M1163 PolarHBondContact O-N 3.38Å; A1160-M1163 PolarHBondContact O-N 2.66Å; G1161-M1163 PolarHBondContact O-N 2.93Å; M1163-I1165 VanDerWaalsContact C-N 3.31Å; M1163-I1165 PolarHBondContact O-N 3.49Å; M1163-A1166 PolarHBondContact O-N 3.36Å; M1163-L1167 HydrophobicContact CE-CD1 4.26Å; M1163-L1167 HydrophobicContact CG-CD1 3.71Å; M1163-L1167 HydrophobicContact CG-CG 4.09Å; M1163-L1167 WeakPolarHBondContact O-CB 3.38Å; M1163-L1167 VanDerWaalsContact O-CG 3.27Å; M1163-L1167 WeakPolarHBondContact O-CG 3.23Å; M1163-L1167 PolarHBondContact O-N 2.83Å; M1163-L1167 HydrophobicContact SD-CD1 3.78Å; M1163-L1222 HydrophobicContact CB-CD1 4.16Å
1164	I	96.1	Very high	94.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-45.3	179	-63.1	166.9	0	0	0	110.2	L941 L997 L1104 W1109 F1127 A1160 G1161 A1166 L1167 L1168	L941-I1164 HydrophobicContact CD2-CD1 3.85Å; L941-I1164 HydrophobicContact CD2-CG1 4.3Å; L997-I1164 HydrophobicContact CD2-CD1 3.95Å; L1104-I1164 HydrophobicContact CD1-CG2 4.13Å; W1109-I1164 HydrophobicContact CE3-CG2 3.96Å; W1109-I1164 HydrophobicContact CZ3-CD1 4.35Å; W1109-I1164 HydrophobicContact CZ3-CG2 3.92Å; F1127-I1164 HydrophobicContact CD1-CB 4.09Å; F1127-I1164 HydrophobicContact CD1-CG2 3.4Å; F1127-I1164 VanDerWaalsContact CD1-CG2 3.4Å; F1127-I1164 HydrophobicContact CD2-CG2 4.46Å; F1127-I1164 HydrophobicContact CE1-CB 3.67Å; F1127-I1164 HydrophobicContact CE1-CD1 4.19Å; F1127-I1164 HydrophobicContact CE1-CG2 3.45Å; F1127-I1164 VanDerWaalsContact CE1-CG2 3.45Å; F1127-I1164 HydrophobicContact CE2-CG2 4.5Å; F1127-I1164 HydrophobicContact CG-CG2 3.94Å; F1127-I1164 HydrophobicContact CZ-CB 4.24Å; F1127-I1164 HydrophobicContact CZ-CD1 3.87Å; F1127-I1164 HydrophobicContact CZ-CG2 4.02Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.49Å; A1160-I1164 PolarHBondContact O-N 3.06Å; G1161-I1164 PolarHBondContact O-N 2.82Å; I1164-A1166 PolarHBondContact O-N 3.06Å; I1164-L1167 PolarHBondContact O-N 3.44Å; I1164-L1168 HydrophobicContact CG2-CD1 3.7Å; I1164-L1168 HydrophobicContact CG2-CG 4.4Å; I1164-L1168 WeakPolarHBondContact O-CB 3.34Å; I1164-L1168 WeakPolarHBondContact O-CG 3.39Å; I1164-L1168 PolarHBondContact O-N 3.31Å
1165	I	95.8	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-43.1	178.5	-68.7	171.3	0	0	0	112	F1127 H1128 W1131 G1161 C1162 M1163 G1169 Q1170 Q1171 F1174 F1219	F1127-I1165 HydrophobicContact CD1-CG1 3.95Å; F1127-I1165 HydrophobicContact CE1-CG1 4.04Å; H1128-I1165 HydrophobicContact CB-CD1 4.09Å; H1128-I1165 HydrophobicContact CB-CG1 4Å; H1128-I1165 HydrophobicContact CB-CG2 4.42Å; W1131-I1165 HydrophobicContact CB-CD1 3.85Å; W1131-I1165 HydrophobicContact CG-CD1 3.66Å; G1161-I1165 WeakPolarHBondContact O-CG1 3.42Å; G1161-I1165 PolarHBondContact O-N 3.43Å; G1161-I1165 VanDerWaalsContact O-N 3.16Å; C1162-I1165 PolarHBondContact O-N 3.01Å; M1163-I1165 VanDerWaalsContact C-N 3.31Å; M1163-I1165 PolarHBondContact O-N 3.49Å; I1165-G1169 PolarHBondContact O-N 2.94Å; I1165-Q1170 HydrophobicContact CG2-CB 4.06Å; I1165-Q1170 PolarHBondContact O-N 3.04Å; I1165-Q1171 VanDerWaalsContact CG2-CA 3.5Å; I1165-Q1171 HydrophobicContact CG2-CB 4.07Å; I1165-F1174 HydrophobicContact CD1-CD2 4.17Å; I1165-F1174 HydrophobicContact CD1-CE2 4.4Å; I1165-F1174 HydrophobicContact CD1-CG 4.31Å; I1165-F1174 HydrophobicContact CG2-CB 4.3Å; I1165-F1219 HydrophobicContact CB-CE1 3.94Å; I1165-F1219 HydrophobicContact CB-CZ 4.09Å; I1165-F1219 HydrophobicContact CD1-CZ 4.31Å; I1165-F1219 HydrophobicContact CG2-CE1 3.75Å; I1165-F1219 HydrophobicContact CG2-CZ 3.75Å
1166	A	93.8	Very high	94.5	Very high	18 Å²	18	27.9 Å²	27.9	15%	0.149	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-47.1	179.6	0	0	0	0	0	111.5	C1162 M1163 I1164 L1168 G1169 F1219 L1222	C1162-A1166 VanDerWaalsContact O-CB 3.31Å; C1162-A1166 WeakPolarHBondContact O-CB 3.44Å; C1162-A1166 PolarHBondContact O-N 3.02Å; M1163-A1166 PolarHBondContact O-N 3.36Å; I1164-A1166 PolarHBondContact O-N 3.06Å; A1166-L1168 VanDerWaalsContact C-N 3.29Å; A1166-L1168 PolarHBondContact O-N 3.15Å; A1166-G1169 PolarHBondContact O-N 3.48Å; A1166-F1219 HydrophobicContact CB-CD1 4.23Å; A1166-F1219 HydrophobicContact CB-CE1 4.41Å; A1166-L1222 HydrophobicContact CB-CB 4.42Å; A1166-L1222 HydrophobicContact CB-CD1 4.16Å
1167	L	92.8	Very high	94.5	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-28.7	-178.9	-66.3	-178.9	0	0	0	113.2	L1097 V1100 R1101 L1104 M1163 I1164 G1169 M1226	L1097-L1167 HydrophobicContact CB-CD2 4.24Å; V1100-L1167 HydrophobicContact CB-CD1 4.12Å; V1100-L1167 HydrophobicContact CG1-CD1 3.89Å; R1101-L1167 HydrophobicContact CB-CB 4.29Å; R1101-L1167 HydrophobicContact CB-CD1 4.3Å; R1101-L1167 HydrophobicContact CB-CD2 4.21Å; R1101-L1167 HydrophobicContact CB-CG 4.5Å; R1101-L1167 HydrophobicContact CG-CB 4.29Å; L1104-L1167 HydrophobicContact CD1-CB 4.28Å; M1163-L1167 HydrophobicContact CE-CD1 4.26Å; M1163-L1167 HydrophobicContact CG-CD1 3.71Å; M1163-L1167 HydrophobicContact CG-CG 4.09Å; M1163-L1167 WeakPolarHBondContact O-CB 3.38Å; M1163-L1167 VanDerWaalsContact O-CG 3.27Å; M1163-L1167 WeakPolarHBondContact O-CG 3.23Å; M1163-L1167 PolarHBondContact O-N 2.83Å; M1163-L1167 HydrophobicContact SD-CD1 3.78Å; I1164-L1167 PolarHBondContact O-N 3.44Å; L1167-G1169 VanDerWaalsContact C-N 3.3Å; L1167-M1226 HydrophobicContact CD2-CE 4.04Å; L1167-M1226 HydrophobicContact CD2-SD 3.91Å
1168	L	93.2	Very high	94.5	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.9	173.1	-66.3	172.9	0	0	0	113.5	L1104 W1109 R1110 F1127 I1164 A1166 Q1170	L1104-L1168 HydrophobicContact CB-CD2 4.15Å; L1104-L1168 HydrophobicContact CD1-CD2 4.34Å; L1104-L1168 HydrophobicContact CD1-CG 4.29Å; W1109-L1168 HydrophobicContact CB-CD1 3.86Å; W1109-L1168 HydrophobicContact CB-CD2 3.87Å; W1109-L1168 HydrophobicContact CE3-CD1 4.43Å; R1110-L1168 HydrophobicContact CG-CD2 4.12Å; F1127-L1168 HydrophobicContact CB-CD1 4.05Å; I1164-L1168 HydrophobicContact CG2-CD1 3.7Å; I1164-L1168 HydrophobicContact CG2-CG 4.4Å; I1164-L1168 WeakPolarHBondContact O-CB 3.34Å; I1164-L1168 WeakPolarHBondContact O-CG 3.39Å; I1164-L1168 PolarHBondContact O-N 3.31Å; A1166-L1168 VanDerWaalsContact C-N 3.29Å; A1166-L1168 PolarHBondContact O-N 3.15Å; L1168-Q1170 VanDerWaalsContact C-N 3.29Å; L1168-Q1170 HydrophobicContact CB-CB 4.49Å; L1168-Q1170 HydrophobicContact CB-CG 3.92Å; L1168-Q1170 PolarHBondContact O-N 3.3Å
1169	G	91.2	Very high	94.5	Very high	51 Å²	51	28.2 Å²	28.2	53%	0.526	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	29.6	-175.9	0	0	0	0	0	113.4	I1165 A1166 L1167 R1173	I1165-G1169 PolarHBondContact O-N 2.94Å; A1166-G1169 PolarHBondContact O-N 3.48Å; L1167-G1169 VanDerWaalsContact C-N 3.3Å; G1169-R1173 PolarHBondContact O-NH1 3.33Å
1170	Q	93.8	Very high	94.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.			trans	-97.4	-10.5	-175.3	-73.8	176.9	7.6	0	0	113.9	W1109 H1128 I1165 L1168 R1172 R1173 F1174	W1109-Q1170 PolarHBondContact O-NE2 3.34Å; H1128-Q1170 HydrophobicContact CB-CB 4.06Å; H1128-Q1170 PolarHBondContact CD2-OE1 2.94Å; I1165-Q1170 HydrophobicContact CG2-CB 4.06Å; I1165-Q1170 PolarHBondContact O-N 3.04Å; L1168-Q1170 VanDerWaalsContact C-N 3.29Å; L1168-Q1170 HydrophobicContact CB-CB 4.49Å; L1168-Q1170 HydrophobicContact CB-CG 3.92Å; L1168-Q1170 PolarHBondContact O-N 3.3Å; Q1170-R1172 PolarHBondContact O-N 3.34Å; Q1170-R1173 WeakPolarHBondContact O-CB 3.29Å; Q1170-R1173 PolarHBondContact O-N 3.46Å; Q1170-F1174 PolarHBondContact O-N 2.98Å
1171	Q	92.6	Very high	94.4	Very high	37 Å²	37	28.1 Å²	28.1	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-52.1	-50.6	-173.6	-175.9	-160.8	-14	0	0	113.8	I1165 R1173 F1174 D1175 F1219 N1223	I1165-Q1171 VanDerWaalsContact CG2-CA 3.5Å; I1165-Q1171 HydrophobicContact CG2-CB 4.07Å; Q1171-R1173 PolarHBondContact O-N 3.49Å; Q1171-F1174 WeakPolarHBondContact O-CA 3.36Å; Q1171-F1174 VanDerWaalsContact O-CB 3.3Å; Q1171-F1174 WeakPolarHBondContact O-CB 3.36Å; Q1171-F1174 PolarHBondContact O-N 3.01Å; Q1171-D1175 VanDerWaalsContact O-CG 3.31Å; Q1171-D1175 PolarHBondContact O-N 3.5Å; Q1171-F1219 HydrophobicContact CB-CD1 4.31Å; Q1171-F1219 HydrophobicContact CB-CE1 4.19Å; Q1171-F1219 HydrophobicContact CG-CB 4.37Å; Q1171-F1219 HydrophobicContact CG-CD1 3.74Å; Q1171-F1219 HydrophobicContact CG-CD2 3.85Å; Q1171-F1219 HydrophobicContact CG-CE1 3.88Å; Q1171-F1219 HydrophobicContact CG-CE2 4Å; Q1171-F1219 HydrophobicContact CG-CG 3.75Å; Q1171-F1219 HydrophobicContact CG-CZ 4.02Å; Q1171-N1223 PolarHBondContact OE1-ND2 3.04Å
1172	R	91.9	Very high	94.4	Very high	209 Å²	209	29 Å²	29	79%	0.789	15%	0.145	S	C	*	.	H	α-helix	trans	-61.2	-32.1	-178	-61.4	-178.1	-166.2	170	5.7	112.4	Q1170 I1176	Q1170-R1172 PolarHBondContact O-N 3.34Å; R1172-I1176 WeakPolarHBondContact O-CD1 3.25Å; R1172-I1176 VanDerWaalsContact O-CG1 3.32Å; R1172-I1176 WeakPolarHBondContact O-CG1 3.27Å
1173	R	93.4	Very high	94.2	Very high	59 Å²	59	29 Å²	29	22%	0.223	15%	0.145	C	C	.	.	H	α-helix	trans	-73.8	-42.1	175.9	-65.3	-164.6	-70.6	-74	11	110.5	M1119 E1126 G1169 Q1170 Q1171 I1176 L1177	M1119-R1173 HydrophobicContact CE-CB 4.32Å; M1119-R1173 HydrophobicContact CE-CG 3.69Å; M1119-R1173 HydrophobicContact SD-CG 4.46Å; E1126-R1173 IonicContact OE1-CZ 3.81Å; E1126-R1173 IonicContact OE1-NE 2.89Å; E1126-R1173 PolarHBondContact OE1-NE 3.31Å; E1126-R1173 IonicContact OE1-NH2 2.82Å; E1126-R1173 PolarHBondContact OE1-NH2 3.3Å; E1126-R1173 IonicContact OE2-CZ 3.35Å; E1126-R1173 IonicContact OE2-NE 3.37Å; E1126-R1173 PolarHBondContact OE2-NE 2.96Å; E1126-R1173 IonicContact OE2-NH2 2.77Å; G1169-R1173 PolarHBondContact O-NH1 3.33Å; Q1170-R1173 WeakPolarHBondContact O-CB 3.29Å; Q1170-R1173 PolarHBondContact O-N 3.46Å; Q1171-R1173 PolarHBondContact O-N 3.49Å; R1173-I1176 PolarHBondContact O-N 2.9Å; R1173-L1177 HydrophobicContact CB-CD1 4.49Å; R1173-L1177 WeakPolarHBondContact O-CB 3.49Å; R1173-L1177 WeakPolarHBondContact O-CG 3.44Å; R1173-L1177 PolarHBondContact O-N 3.42Å
1174	F	95.5	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-50.7	173.3	176	-103.2	0	0	0	112.1	H1128 W1131 S1132 I1165 Q1170 Q1171 I1176 L1177 D1178 Y1181 F1219	H1128-F1174 HydrophobicContact CB-CB 3.94Å; H1128-F1174 HydrophobicContact CB-CD2 4.07Å; H1128-F1174 HydrophobicContact CB-CG 4.41Å; W1131-F1174 AromaticContact CD1-CE2 3.65Å; W1131-F1174 AromaticContact CD1-CZ 3.82Å; S1132-F1174 WeakPolarHBondContact OG-CD2 3.34Å; S1132-F1174 VanDerWaalsContact OG-CE2 3.29Å; S1132-F1174 WeakPolarHBondContact OG-CE2 3.28Å; I1165-F1174 HydrophobicContact CD1-CD2 4.17Å; I1165-F1174 HydrophobicContact CD1-CE2 4.4Å; I1165-F1174 HydrophobicContact CD1-CG 4.31Å; I1165-F1174 HydrophobicContact CG2-CB 4.3Å; Q1170-F1174 PolarHBondContact O-N 2.98Å; Q1171-F1174 WeakPolarHBondContact O-CA 3.36Å; Q1171-F1174 VanDerWaalsContact O-CB 3.3Å; Q1171-F1174 WeakPolarHBondContact O-CB 3.36Å; Q1171-F1174 PolarHBondContact O-N 3.01Å; F1174-I1176 PolarHBondContact O-N 3.21Å; F1174-I1176 VanDerWaalsContact O-N 3.11Å; F1174-L1177 PolarHBondContact O-N 3.38Å; F1174-L1177 VanDerWaalsContact O-N 3.12Å; F1174-D1178 HydrophobicContact CD2-CB 4.22Å; F1174-D1178 HydrophobicContact CE2-CB 4Å; F1174-D1178 VanDerWaalsContact CE2-OD1 3.25Å; F1174-D1178 WeakPolarHBondContact CE2-OD1 3.15Å; F1174-D1178 HydrophobicContact CZ-CB 4.25Å; F1174-D1178 VanDerWaalsContact O-CB 3.24Å; F1174-D1178 WeakPolarHBondContact O-CB 3.43Å; F1174-D1178 PolarHBondContact O-N 3.02Å; F1174-Y1181 HydrophobicContact CD1-CE2 4.32Å; F1174-Y1181 AromaticContact CE1-CE2 3.78Å; F1174-Y1181 HydrophobicContact CE1-CE2 3.78Å; F1174-Y1181 AromaticContact CE1-CZ 3.89Å; F1174-Y1181 HydrophobicContact CZ-CE2 4.42Å; F1174-F1219 HydrophobicContact CD1-CE2 4.04Å; F1174-F1219 HydrophobicContact CD1-CZ 4.23Å; F1174-F1219 HydrophobicContact CE1-CE2 4.09Å; F1174-F1219 HydrophobicContact CE1-CZ 4.46Å
1175	D	92.7	Very high	94	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	17%	0.17	S	C	.	.	H	α-helix	trans	-58.4	-31.1	-178.4	-63.5	-20.2	0	0	0	112.9	Q1171	Q1171-D1175 VanDerWaalsContact O-CG 3.31Å; Q1171-D1175 PolarHBondContact O-N 3.5Å
1176	I	92.6	Very high	93.9	Very high	107 Å²	107	34.6 Å²	34.6	55%	0.549	17%	0.17	S	C	.	.	H	α-helix	trans	-84	-41.9	178.5	-64.4	169.9	0	0	0	111.3	R1172 R1173 F1174	R1172-I1176 WeakPolarHBondContact O-CD1 3.25Å; R1172-I1176 VanDerWaalsContact O-CG1 3.32Å; R1172-I1176 WeakPolarHBondContact O-CG1 3.27Å; R1173-I1176 PolarHBondContact O-N 2.9Å; F1174-I1176 PolarHBondContact O-N 3.21Å; F1174-I1176 VanDerWaalsContact O-N 3.11Å
1177	L	95.1	Very high	93.9	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-103.3	-5.9	-163.5	-64.8	178.3	0	0	0	114.6	L962 M1119 V1121 R1129 R1173 F1174 F1179	L962-L1177 HydrophobicContact CD1-CD2 4.39Å; M1119-L1177 HydrophobicContact CE-CD1 3.97Å; V1121-L1177 HydrophobicContact CG1-CD2 4.25Å; R1129-L1177 PolarHBondContact NH1-O 3.4Å; R1173-L1177 HydrophobicContact CB-CD1 4.49Å; R1173-L1177 WeakPolarHBondContact O-CB 3.49Å; R1173-L1177 WeakPolarHBondContact O-CG 3.44Å; R1173-L1177 PolarHBondContact O-N 3.42Å; F1174-L1177 PolarHBondContact O-N 3.38Å; F1174-L1177 VanDerWaalsContact O-N 3.12Å; L1177-F1179 PolarHBondContact O-N 3.48Å
1178	D	96.8	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.			trans	-61.6	132.2	-178.6	-179.9	76.8	0	0	0	113.3	S1132 Q1135 F1174 S1180 Y1181 H1182	S1132-D1178 VanDerWaalsContact CA-OD1 3.24Å; S1132-D1178 WeakPolarHBondContact CA-OD1 3.41Å; S1132-D1178 WeakPolarHBondContact CB-OD1 3.3Å; S1132-D1178 WeakPolarHBondContact OG-CA 3.43Å; S1132-D1178 PolarHBondContact OG-OD1 3.28Å; Q1135-D1178 PolarHBondContact NE2-OD1 2.97Å; Q1135-D1178 PolarHBondContact NE2-OD2 3.5Å; F1174-D1178 HydrophobicContact CD2-CB 4.22Å; F1174-D1178 HydrophobicContact CE2-CB 4Å; F1174-D1178 VanDerWaalsContact CE2-OD1 3.25Å; F1174-D1178 WeakPolarHBondContact CE2-OD1 3.15Å; F1174-D1178 HydrophobicContact CZ-CB 4.25Å; F1174-D1178 VanDerWaalsContact O-CB 3.24Å; F1174-D1178 WeakPolarHBondContact O-CB 3.43Å; F1174-D1178 PolarHBondContact O-N 3.02Å; D1178-S1180 PolarHBondContact O-N 3.04Å; D1178-S1180 WeakPolarHBondContact OD2-CA 3.23Å; D1178-S1180 VanDerWaalsContact OD2-CB 3.23Å; D1178-S1180 WeakPolarHBondContact OD2-CB 3.09Å; D1178-S1180 PolarHBondContact OD2-N 3.28Å; D1178-Y1181 HydrophobicContact CB-CD2 3.86Å; D1178-Y1181 HydrophobicContact CB-CE2 4.43Å; D1178-Y1181 HydrophobicContact CB-CG 3.91Å; D1178-Y1181 PolarHBondContact O-N 3.05Å; D1178-Y1181 WeakPolarHBondContact OD2-CD1 3.38Å; D1178-Y1181 PolarHBondContact OD2-N 3Å; D1178-H1182 WeakPolarHBondContact O-CB 3.44Å; D1178-H1182 PolarHBondContact O-N 2.98Å
1179	F	95.1	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-42.1	-176.7	-52.6	-52.9	0	0	0	112.1	M956 C960 L962 F976 L980 L1177 H1182 L1183	M956-F1179 HydrophobicContact CE-CE2 3.87Å; M956-F1179 HydrophobicContact CE-CZ 4.1Å; C960-F1179 HydrophobicContact CB-CE1 3.89Å; C960-F1179 HydrophobicContact CB-CZ 3.99Å; C960-F1179 VanDerWaalsContact SG-CE1 3.55Å; L962-F1179 HydrophobicContact CD2-CD1 3.96Å; F976-F1179 HydrophobicContact CD1-CB 4.13Å; F976-F1179 HydrophobicContact CD1-CD1 4.05Å; F976-F1179 HydrophobicContact CD1-CG 4.23Å; F976-F1179 HydrophobicContact CD2-CB 4.22Å; F976-F1179 HydrophobicContact CE1-CB 4Å; F976-F1179 AromaticContact CE1-CD1 3.54Å; F976-F1179 HydrophobicContact CE1-CD1 3.54Å; F976-F1179 HydrophobicContact CE1-CE1 4.37Å; F976-F1179 HydrophobicContact CE1-CG 4.07Å; F976-F1179 HydrophobicContact CE2-CB 4.07Å; F976-F1179 VanDerWaalsContact CE2-O 3.25Å; F976-F1179 WeakPolarHBondContact CE2-O 3.25Å; F976-F1179 HydrophobicContact CG-CB 4.26Å; F976-F1179 HydrophobicContact CZ-CB 3.97Å; F976-F1179 HydrophobicContact CZ-CD1 4.05Å; F976-F1179 HydrophobicContact CZ-CG 4.45Å; L980-F1179 HydrophobicContact CD1-CD2 3.79Å; L980-F1179 HydrophobicContact CD1-CE2 4.26Å; L980-F1179 HydrophobicContact CD1-CG 4.4Å; L980-F1179 HydrophobicContact CD2-CD2 4.33Å; L980-F1179 HydrophobicContact CD2-CE2 3.96Å; L1177-F1179 PolarHBondContact O-N 3.48Å; F1179-H1182 PolarHBondContact O-N 2.93Å; F1179-L1183 PolarHBondContact O-N 3.19Å
1180	S	95.3	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-41.9	-178.8	-68.5	0	0	0	0	111.3	D1178 H1182 L1183 L1184	D1178-S1180 PolarHBondContact O-N 3.04Å; D1178-S1180 WeakPolarHBondContact OD2-CA 3.23Å; D1178-S1180 VanDerWaalsContact OD2-CB 3.23Å; D1178-S1180 WeakPolarHBondContact OD2-CB 3.09Å; D1178-S1180 PolarHBondContact OD2-N 3.28Å; S1180-H1182 VanDerWaalsContact C-N 3.3Å; S1180-H1182 PolarHBondContact O-N 3.45Å; S1180-L1183 PolarHBondContact O-N 3.15Å; S1180-L1184 WeakPolarHBondContact O-CB 3.26Å; S1180-L1184 PolarHBondContact O-N 3.14Å
1181	Y	96.1	Very high	93.7	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-36.9	177.2	-66.6	-0.6	0	0	0	111.5	Q1135 F1174 D1178 K1185 I1208 Q1212 N1215	Q1135-Y1181 VanDerWaalsContact NE2-CE1 3.29Å; F1174-Y1181 HydrophobicContact CD1-CE2 4.32Å; F1174-Y1181 AromaticContact CE1-CE2 3.78Å; F1174-Y1181 HydrophobicContact CE1-CE2 3.78Å; F1174-Y1181 AromaticContact CE1-CZ 3.89Å; F1174-Y1181 HydrophobicContact CZ-CE2 4.42Å; D1178-Y1181 HydrophobicContact CB-CD2 3.86Å; D1178-Y1181 HydrophobicContact CB-CE2 4.43Å; D1178-Y1181 HydrophobicContact CB-CG 3.91Å; D1178-Y1181 PolarHBondContact O-N 3.05Å; D1178-Y1181 WeakPolarHBondContact OD2-CD1 3.38Å; D1178-Y1181 PolarHBondContact OD2-N 3Å; Y1181-K1185 WeakPolarHBondContact O-CB 3.34Å; Y1181-K1185 PolarHBondContact O-N 2.85Å; Y1181-I1208 HydrophobicContact CD1-CG2 4.16Å; Y1181-Q1212 HydrophobicContact CD1-CB 4.21Å; Y1181-Q1212 HydrophobicContact CD1-CG 4.19Å; Y1181-Q1212 HydrophobicContact CE1-CB 3.55Å; Y1181-Q1212 HydrophobicContact CE1-CG 3.7Å; Y1181-Q1212 HydrophobicContact CE2-CG 4.3Å; Y1181-N1215 PolarHBondContact OH-ND2 2.83Å
1182	H	94.6	Very high	93.5	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-47	172.9	-172.2	62.1	0	0	0	112.1	L962 P963 D1178 F1179 S1180 L1184 K1185 V1186	L962-H1182 HydrophobicContact CD1-CB 4.27Å; L962-H1182 HydrophobicContact CD2-CB 3.92Å; P963-H1182 PolarHBondContact O-CE1 3.13Å; P963-H1182 PolarHBondContact O-NE2 3.27Å; D1178-H1182 WeakPolarHBondContact O-CB 3.44Å; D1178-H1182 PolarHBondContact O-N 2.98Å; F1179-H1182 PolarHBondContact O-N 2.93Å; S1180-H1182 VanDerWaalsContact C-N 3.3Å; S1180-H1182 PolarHBondContact O-N 3.45Å; H1182-L1184 VanDerWaalsContact C-N 3.34Å; H1182-L1184 PolarHBondContact O-N 2.77Å; H1182-K1185 WeakPolarHBondContact O-CB 3.22Å; H1182-K1185 PolarHBondContact O-N 2.88Å; H1182-K1185 VanDerWaalsContact O-N 3.12Å; H1182-V1186 PolarHBondContact O-N 3.1Å
1183	L	94.1	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-45.6	175.9	178.3	62.7	0	0	0	111.8	S969 I972 L973 F976 F1179 S1180 K1185 V1186 Q1187 L1201 M1204 V1205 I1208	S969-L1183 WeakPolarHBondContact O-CD1 3.48Å; I972-L1183 HydrophobicContact CB-CD1 4.18Å; I972-L1183 HydrophobicContact CG2-CD1 3.95Å; L973-L1183 HydrophobicContact CB-CD1 4.05Å; L973-L1183 HydrophobicContact CB-CD2 4.22Å; L973-L1183 HydrophobicContact CD1-CD2 3.85Å; F976-L1183 HydrophobicContact CE2-CB 4.37Å; F1179-L1183 PolarHBondContact O-N 3.19Å; S1180-L1183 PolarHBondContact O-N 3.15Å; L1183-K1185 VanDerWaalsContact C-N 3.33Å; L1183-K1185 PolarHBondContact O-N 3.31Å; L1183-V1186 PolarHBondContact O-N 3.15Å; L1183-Q1187 WeakPolarHBondContact O-CB 3.48Å; L1183-Q1187 PolarHBondContact O-N 2.94Å; L1183-L1201 HydrophobicContact CD1-CD1 4Å; L1183-L1201 HydrophobicContact CD2-CD1 4.31Å; L1183-L1201 HydrophobicContact CG-CD1 4.37Å; L1183-M1204 HydrophobicContact CD2-CG 4.24Å; L1183-V1205 HydrophobicContact CG-CG1 4.2Å; L1183-I1208 HydrophobicContact CD2-CD1 4.09Å
1184	L	94.9	Very high	93.4	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-42.1	175.5	175.2	65	0	0	0	111.9	S1180 H1182 K1188 V1205 I1208 R1209	S1180-L1184 WeakPolarHBondContact O-CB 3.26Å; S1180-L1184 PolarHBondContact O-N 3.14Å; H1182-L1184 VanDerWaalsContact C-N 3.34Å; H1182-L1184 PolarHBondContact O-N 2.77Å; L1184-K1188 HydrophobicContact CD1-CD 4.31Å; L1184-K1188 HydrophobicContact CD1-CG 4.25Å; L1184-K1188 HydrophobicContact CG-CD 4.41Å; L1184-K1188 WeakPolarHBondContact O-CB 3.38Å; L1184-K1188 WeakPolarHBondContact O-CG 3.2Å; L1184-K1188 PolarHBondContact O-N 2.95Å; L1184-V1205 HydrophobicContact CD1-CB 3.84Å; L1184-I1208 HydrophobicContact CB-CG2 4.03Å; L1184-I1208 HydrophobicContact CD2-CG2 4.12Å; L1184-R1209 HydrophobicContact CD1-CB 4.41Å; L1184-R1209 HydrophobicContact CD2-CB 4.09Å
1185	K	93.7	Very high	93.2	Very high	112 Å²	112	52.7 Å²	52.7	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-44	179.6	-172.9	-174.7	-63.6	167.9	0	111.5	Y1181 H1182 L1183 H1189	Y1181-K1185 WeakPolarHBondContact O-CB 3.34Å; Y1181-K1185 PolarHBondContact O-N 2.85Å; H1182-K1185 WeakPolarHBondContact O-CB 3.22Å; H1182-K1185 PolarHBondContact O-N 2.88Å; H1182-K1185 VanDerWaalsContact O-N 3.12Å; L1183-K1185 VanDerWaalsContact C-N 3.33Å; L1183-K1185 PolarHBondContact O-N 3.31Å; K1185-H1189 PolarHBondContact O-N 3.07Å
1186	V	93.3	Very high	93.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-40.3	178.8	-176.4	0	0	0	0	111.7	I972 H1182 L1183 K1188 H1189 D1190	I972-V1186 HydrophobicContact CD1-CB 3.86Å; I972-V1186 HydrophobicContact CD1-CG1 3.71Å; I972-V1186 HydrophobicContact CD1-CG2 3.66Å; H1182-V1186 PolarHBondContact O-N 3.1Å; L1183-V1186 PolarHBondContact O-N 3.15Å; V1186-K1188 VanDerWaalsContact C-N 3.33Å; V1186-K1188 PolarHBondContact O-N 2.92Å; V1186-H1189 WeakPolarHBondContact O-CA 3.33Å; V1186-H1189 WeakPolarHBondContact O-CB 3.31Å; V1186-H1189 PolarHBondContact O-N 3.4Å; V1186-D1190 PolarHBondContact O-N 3.23Å
1187	Q	93.8	Very high	92.6	Very high	11 Å²	11	51 Å²	51	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-38.2	177	-165.3	-75.5	-28.2	0	0	112.1	L1183 H1189 D1190 G1191 K1192 L1201 V1205	L1183-Q1187 WeakPolarHBondContact O-CB 3.48Å; L1183-Q1187 PolarHBondContact O-N 2.94Å; Q1187-H1189 PolarHBondContact O-N 2.99Å; Q1187-D1190 WeakPolarHBondContact CA-OD1 3.5Å; Q1187-G1191 WeakPolarHBondContact O-CA 3.24Å; Q1187-G1191 PolarHBondContact O-N 3.05Å; Q1187-K1192 PolarHBondContact NE2-O 3.05Å; Q1187-L1201 HydrophobicContact CG-CD1 4.42Å; Q1187-L1201 HydrophobicContact CG-CD2 4.25Å; Q1187-L1201 HydrophobicContact CG-CG 4.11Å; Q1187-V1205 HydrophobicContact CB-CG1 3.82Å; Q1187-V1205 HydrophobicContact CG-CB 4.49Å; Q1187-V1205 HydrophobicContact CG-CG1 3.91Å; Q1187-V1205 HydrophobicContact CG-CG2 4.02Å
1188	K	92.6	Very high	92.2	Very high	131 Å²	131	57.9 Å²	57.9	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-63.7	-28.4	172.6	-80.3	-176.4	174.6	-178.5	0	113	L1184 V1186	L1184-K1188 HydrophobicContact CD1-CD 4.31Å; L1184-K1188 HydrophobicContact CD1-CG 4.25Å; L1184-K1188 HydrophobicContact CG-CD 4.41Å; L1184-K1188 WeakPolarHBondContact O-CB 3.38Å; L1184-K1188 WeakPolarHBondContact O-CG 3.2Å; L1184-K1188 PolarHBondContact O-N 2.95Å; V1186-K1188 VanDerWaalsContact C-N 3.33Å; V1186-K1188 PolarHBondContact O-N 2.92Å
1189	H	91.4	Very high	91.9	Very high	135 Å²	135	58.1 Å²	58.1	63%	0.625	29%	0.292	S	S	*	.	H	α-helix	trans	-80.1	-44.5	179.1	172	-89.1	0	0	0	112.2	K1185 V1186 Q1187	K1185-H1189 PolarHBondContact O-N 3.07Å; V1186-H1189 WeakPolarHBondContact O-CA 3.33Å; V1186-H1189 WeakPolarHBondContact O-CB 3.31Å; V1186-H1189 PolarHBondContact O-N 3.4Å; Q1187-H1189 PolarHBondContact O-N 2.99Å
1190	D	91.3	Very high	91.7	Very high	46 Å²	46	59.7 Å²	59.7	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-96.3	-16.9	-175.2	72.3	7.5	0	0	0	115.2	G968 S969 V1186 Q1187 K1192	G968-D1190 WeakPolarHBondContact CA-OD2 3.41Å; S969-D1190 WeakPolarHBondContact CB-OD2 3.21Å; S969-D1190 PolarHBondContact N-OD2 3.49Å; S969-D1190 VanDerWaalsContact OG-CG 3.24Å; S969-D1190 PolarHBondContact OG-OD1 2.79Å; S969-D1190 PolarHBondContact OG-OD2 3.22Å; V1186-D1190 PolarHBondContact O-N 3.23Å; Q1187-D1190 WeakPolarHBondContact CA-OD1 3.5Å; D1190-K1192 HydrophobicContact CB-CG 4.37Å; D1190-K1192 PolarHBondContact O-N 2.84Å; D1190-K1192 PolarHBondContact OD1-N 3.23Å; D1190-K1192 VanDerWaalsContact OD1-N 3.14Å
1191	G	90.1	Very high	91.5	Very high	55 Å²	55	59.7 Å²	59.7	57%	0.567	30%	0.302	S	S	*	.			trans	67.6	13.1	176	0	0	0	0	0	115.5	Q1187	Q1187-G1191 WeakPolarHBondContact O-CA 3.24Å; Q1187-G1191 PolarHBondContact O-N 3.05Å
1192	K	90.1	Very high	91.3	Very high	94 Å²	94	63.2 Å²	63.2	41%	0.409	32%	0.318	S	S	.	.			trans	-73.9	151.1	-175.6	-65.2	-176.3	176.5	-174.2	0	112.6	P970 Q1187 D1190	P970-K1192 HydrophobicContact CG-CB 4.03Å; P970-K1192 HydrophobicContact CG-CD 3.84Å; Q1187-K1192 PolarHBondContact NE2-O 3.05Å; D1190-K1192 HydrophobicContact CB-CG 4.37Å; D1190-K1192 PolarHBondContact O-N 2.84Å; D1190-K1192 PolarHBondContact OD1-N 3.23Å; D1190-K1192 VanDerWaalsContact OD1-N 3.14Å
1193	D	91.3	Very high	91.1	Very high	100 Å²	100	68.9 Å²	68.9	54%	0.535	34%	0.342	S	S	.	.			trans	-141.8	101.7	175.3	-173.3	21.2	0	0	0	110.3	K1202	D1193-K1202 HydrophobicContact CB-CB 4.18Å; D1193-K1202 WeakPolarHBondContact OD1-CB 3.39Å; D1193-K1202 PolarHBondContact OD1-N 3.29Å; D1193-K1202 WeakPolarHBondContact OD2-CB 3.32Å
1194	E	91.4	Very high	91.1	Very high	91 Å²	91	68.9 Å²	68.9	43%	0.425	34%	0.342	S	S	.	.			trans	-130.1	159.2	-179.6	-67.1	176.3	-153.5	0	0	109.5	P970 I1196 L1201	P970-E1194 HydrophobicContact CB-CB 4.27Å; P970-E1194 HydrophobicContact CB-CG 4.47Å; P970-E1194 VanDerWaalsContact CB-OE2 3.32Å; P970-E1194 WeakPolarHBondContact CB-OE2 3.42Å; P970-E1194 HydrophobicContact CG-CB 4.22Å; P970-E1194 VanDerWaalsContact CG-CD 3.44Å; P970-E1194 HydrophobicContact CG-CG 4.06Å; P970-E1194 WeakPolarHBondContact CG-OE1 3.39Å; E1194-I1196 HydrophobicContact CB-CD1 4.07Å; E1194-I1196 HydrophobicContact CB-CG1 4.39Å; E1194-L1201 WeakPolarHBondContact O-CB 3.4Å; E1194-L1201 PolarHBondContact O-N 3.12Å
1195	I	91.5	Very high	91	Very high	125 Å²	125	68.6 Å²	68.6	64%	0.641	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	108.9	174.3	-59.6	171.7	0	0	0	108	P1200	I1195-P1200 HydrophobicContact CG1-CB 4.4Å
1196	I	89.1	Confident	91	Very high	22 Å²	22	66.8 Å²	66.8	11%	0.113	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120	-177.2	-54.4	-58.1	0	0	0	108.5	P970 L973 E974 E1194 N1198 V1199	P970-I1196 HydrophobicContact CB-CD1 3.95Å; P970-I1196 HydrophobicContact CB-CG1 4.08Å; L973-I1196 HydrophobicContact CD2-CB 3.81Å; L973-I1196 HydrophobicContact CD2-CG1 4.14Å; L973-I1196 HydrophobicContact CG-CB 4.12Å; L973-I1196 HydrophobicContact CG-CG2 4.3Å; E974-I1196 HydrophobicContact CB-CG2 3.73Å; E974-I1196 HydrophobicContact CG-CG2 4.25Å; E1194-I1196 HydrophobicContact CB-CD1 4.07Å; E1194-I1196 HydrophobicContact CB-CG1 4.39Å; I1196-N1198 VanDerWaalsContact C-N 3.31Å; I1196-N1198 PolarHBondContact O-N 2.83Å; I1196-V1199 PolarHBondContact N-O 2.95Å; I1196-V1199 WeakPolarHBondContact O-CA 3.48Å; I1196-V1199 VanDerWaalsContact O-CB 3.32Å; I1196-V1199 WeakPolarHBondContact O-CB 3.42Å; I1196-V1199 PolarHBondContact O-N 3.18Å
1197	K	83.5	Confident	91.1	Very high	105 Å²	105	68.6 Å²	68.6	46%	0.457	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	49.7	-175.4	-64.3	-166.9	-177.4	-178.2	0	113.6	H977 V1199	H977-K1197 HydrophobicContact CB-CD 3.94Å; K1197-V1199 PolarHBondContact O-N 2.72Å
1198	N	85.8	Confident	91.2	Very high	153 Å²	153	68.1 Å²	68.1	82%	0.818	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	10.4	-176	-59.8	-20.6	0	0	0	115.5	I1196 P1200	I1196-N1198 VanDerWaalsContact C-N 3.31Å; I1196-N1198 PolarHBondContact O-N 2.83Å; N1198-P1200 WeakPolarHBondContact O-CD 3.34Å
1199	V	90.4	Very high	91.3	Very high	5 Å²	5	67 Å²	67	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111	175.6	177.6	0	0	0	0	110	L973 H977 I1140 I1196 K1197 L1201 M1204	L973-V1199 HydrophobicContact CD2-CB 4.41Å; L973-V1199 HydrophobicContact CD2-CG1 4.12Å; H977-V1199 VanDerWaalsContact NE2-CG2 3.3Å; H977-V1199 WeakPolarHBondContact NE2-CG2 3.48Å; I1140-V1199 HydrophobicContact CG2-CG2 3.84Å; I1196-V1199 PolarHBondContact N-O 2.95Å; I1196-V1199 WeakPolarHBondContact O-CA 3.48Å; I1196-V1199 VanDerWaalsContact O-CB 3.32Å; I1196-V1199 WeakPolarHBondContact O-CB 3.42Å; I1196-V1199 PolarHBondContact O-N 3.18Å; K1197-V1199 PolarHBondContact O-N 2.72Å; V1199-L1201 PolarHBondContact O-N 2.88Å; V1199-M1204 HydrophobicContact CG1-CB 3.79Å; V1199-M1204 HydrophobicContact CG1-CG 4.08Å; V1199-M1204 HydrophobicContact CG1-SD 4.45Å
1200	P	92.2	Very high	91.4	Very high	32 Å²	32	68 Å²	68	21%	0.208	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.5	172.7	22.7	-27.4	0	0	0	110	P1141 I1195 N1198 K1202 K1203 M1204	P1141-P1200 HydrophobicContact CG-CG 4.34Å; I1195-P1200 HydrophobicContact CG1-CB 4.4Å; N1198-P1200 WeakPolarHBondContact O-CD 3.34Å; P1200-K1202 VanDerWaalsContact C-N 3.31Å; P1200-K1202 PolarHBondContact O-N 2.87Å; P1200-K1203 HydrophobicContact CB-CB 4.36Å; P1200-K1203 HydrophobicContact CB-CD 4.47Å; P1200-K1203 HydrophobicContact CB-CG 4.44Å; P1200-K1203 HydrophobicContact CG-CB 4.01Å; P1200-K1203 HydrophobicContact CG-CD 3.92Å; P1200-K1203 HydrophobicContact CG-CG 4.24Å; P1200-K1203 PolarHBondContact O-N 3.22Å; P1200-K1203 VanDerWaalsContact O-N 3.14Å; P1200-M1204 PolarHBondContact O-N 3.06Å
1201	L	91.3	Very high	91.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-55.9	-43.2	-172.7	177.3	61	0	0	0	112	S969 P970 L973 L1183 Q1187 E1194 V1199 K1203 M1204 V1205	S969-L1201 WeakPolarHBondContact OG-CD2 3.36Å; P970-L1201 HydrophobicContact CG-CD2 4Å; L973-L1201 HydrophobicContact CB-CD1 4.21Å; L973-L1201 HydrophobicContact CD2-CB 4.17Å; L973-L1201 HydrophobicContact CD2-CD1 3.73Å; L1183-L1201 HydrophobicContact CD1-CD1 4Å; L1183-L1201 HydrophobicContact CD2-CD1 4.31Å; L1183-L1201 HydrophobicContact CG-CD1 4.37Å; Q1187-L1201 HydrophobicContact CG-CD1 4.42Å; Q1187-L1201 HydrophobicContact CG-CD2 4.25Å; Q1187-L1201 HydrophobicContact CG-CG 4.11Å; E1194-L1201 WeakPolarHBondContact O-CB 3.4Å; E1194-L1201 PolarHBondContact O-N 3.12Å; V1199-L1201 PolarHBondContact O-N 2.88Å; L1201-K1203 PolarHBondContact O-N 3.11Å; L1201-M1204 WeakPolarHBondContact O-CB 3.48Å; L1201-M1204 PolarHBondContact O-N 2.89Å; L1201-V1205 HydrophobicContact CD1-CG1 4.12Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.32Å; L1201-V1205 PolarHBondContact O-N 3.16Å
1202	K	90.9	Very high	91.8	Very high	86 Å²	86	65.2 Å²	65.2	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-44.7	178.3	-177.3	61.2	-178.4	160.2	0	113.4	D1193 P1200 M1204 V1205 D1206	D1193-K1202 HydrophobicContact CB-CB 4.18Å; D1193-K1202 WeakPolarHBondContact OD1-CB 3.39Å; D1193-K1202 PolarHBondContact OD1-N 3.29Å; D1193-K1202 WeakPolarHBondContact OD2-CB 3.32Å; P1200-K1202 VanDerWaalsContact C-N 3.31Å; P1200-K1202 PolarHBondContact O-N 2.87Å; K1202-M1204 VanDerWaalsContact C-N 3.34Å; K1202-M1204 PolarHBondContact O-N 2.89Å; K1202-V1205 HydrophobicContact CD-CG2 4.41Å; K1202-V1205 VanDerWaalsContact O-CG2 3.23Å; K1202-V1205 WeakPolarHBondContact O-CG2 3.34Å; K1202-V1205 PolarHBondContact O-N 3.26Å; K1202-D1206 IonicContact NZ-OD1 3.16Å; K1202-D1206 PolarHBondContact NZ-OD1 3.27Å; K1202-D1206 VanDerWaalsContact NZ-OD1 3.16Å; K1202-D1206 WeakPolarHBondContact O-CB 3.47Å; K1202-D1206 PolarHBondContact O-N 2.74Å
1203	K	91.1	Very high	92	Very high	137 Å²	137	64.1 Å²	64.1	60%	0.596	31%	0.307	S	S	*	.	H	α-helix	trans	-68.3	-34.9	177.4	-68.3	-174.3	176.6	178.8	0	112.1	P1141 P1200 L1201 R1207	P1141-K1203 HydrophobicContact CB-CB 4.42Å; P1141-K1203 HydrophobicContact CG-CB 3.87Å; P1200-K1203 HydrophobicContact CB-CB 4.36Å; P1200-K1203 HydrophobicContact CB-CD 4.47Å; P1200-K1203 HydrophobicContact CB-CG 4.44Å; P1200-K1203 HydrophobicContact CG-CB 4.01Å; P1200-K1203 HydrophobicContact CG-CD 3.92Å; P1200-K1203 HydrophobicContact CG-CG 4.24Å; P1200-K1203 PolarHBondContact O-N 3.22Å; P1200-K1203 VanDerWaalsContact O-N 3.14Å; L1201-K1203 PolarHBondContact O-N 3.11Å; K1203-R1207 WeakPolarHBondContact O-CG 3.49Å; K1203-R1207 PolarHBondContact O-N 3Å
1204	M	93.2	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-52.8	175.2	176.6	58.9	171	0	0	110.7	F1136 C1139 I1140 P1141 L1183 V1199 P1200 L1201 K1202 D1206 R1207 I1208	F1136-M1204 HydrophobicContact CD2-CE 3.66Å; F1136-M1204 HydrophobicContact CE2-CE 3.67Å; F1136-M1204 HydrophobicContact CG-CE 4.34Å; F1136-M1204 HydrophobicContact CZ-CE 4.35Å; C1139-M1204 HydrophobicContact CB-CE 3.66Å; C1139-M1204 HydrophobicContact CB-SD 3.67Å; I1140-M1204 HydrophobicContact CG1-CE 4.27Å; I1140-M1204 HydrophobicContact CG1-SD 4.46Å; P1141-M1204 HydrophobicContact CG-CB 4.38Å; L1183-M1204 HydrophobicContact CD2-CG 4.24Å; V1199-M1204 HydrophobicContact CG1-CB 3.79Å; V1199-M1204 HydrophobicContact CG1-CG 4.08Å; V1199-M1204 HydrophobicContact CG1-SD 4.45Å; P1200-M1204 PolarHBondContact O-N 3.06Å; L1201-M1204 WeakPolarHBondContact O-CB 3.48Å; L1201-M1204 PolarHBondContact O-N 2.89Å; K1202-M1204 VanDerWaalsContact C-N 3.34Å; K1202-M1204 PolarHBondContact O-N 2.89Å; M1204-D1206 VanDerWaalsContact C-N 3.34Å; M1204-D1206 PolarHBondContact O-N 3.04Å; M1204-R1207 PolarHBondContact O-N 3.45Å; M1204-I1208 HydrophobicContact CE-CD1 4.03Å; M1204-I1208 HydrophobicContact CE-CG1 4.41Å; M1204-I1208 HydrophobicContact CG-CD1 4Å; M1204-I1208 VanDerWaalsContact O-CG1 3.28Å; M1204-I1208 WeakPolarHBondContact O-CG1 3.39Å; M1204-I1208 PolarHBondContact O-N 3.45Å; M1204-I1208 HydrophobicContact SD-CD1 4.28Å; M1204-I1208 HydrophobicContact SD-CG1 4.44Å
1205	V	93.3	Very high	92.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-31.3	-179.2	-60.8	0	0	0	0	113.3	L1183 L1184 Q1187 L1201 K1202 I1208 R1209	L1183-V1205 HydrophobicContact CG-CG1 4.2Å; L1184-V1205 HydrophobicContact CD1-CB 3.84Å; Q1187-V1205 HydrophobicContact CB-CG1 3.82Å; Q1187-V1205 HydrophobicContact CG-CB 4.49Å; Q1187-V1205 HydrophobicContact CG-CG1 3.91Å; Q1187-V1205 HydrophobicContact CG-CG2 4.02Å; L1201-V1205 HydrophobicContact CD1-CG1 4.12Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.32Å; L1201-V1205 PolarHBondContact O-N 3.16Å; K1202-V1205 HydrophobicContact CD-CG2 4.41Å; K1202-V1205 VanDerWaalsContact O-CG2 3.23Å; K1202-V1205 WeakPolarHBondContact O-CG2 3.34Å; K1202-V1205 PolarHBondContact O-N 3.26Å; V1205-I1208 HydrophobicContact CG1-CD1 4.4Å; V1205-I1208 PolarHBondContact O-N 3.4Å; V1205-R1209 PolarHBondContact O-N 2.99Å
1206	D	93.2	Very high	92.5	Very high	74 Å²	74	53.5 Å²	53.5	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-39.4	173.3	-69.9	-14.4	0	0	0	111.1	K1202 M1204 R1209 K1210	K1202-D1206 IonicContact NZ-OD1 3.16Å; K1202-D1206 PolarHBondContact NZ-OD1 3.27Å; K1202-D1206 VanDerWaalsContact NZ-OD1 3.16Å; K1202-D1206 WeakPolarHBondContact O-CB 3.47Å; K1202-D1206 PolarHBondContact O-N 2.74Å; M1204-D1206 VanDerWaalsContact C-N 3.34Å; M1204-D1206 PolarHBondContact O-N 3.04Å; D1206-R1209 PolarHBondContact O-N 2.93Å; D1206-K1210 PolarHBondContact O-N 3.49Å
1207	R	94.9	Very high	92.7	Very high	39 Å²	39	57.8 Å²	57.8	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-44.8	171.4	-76.1	-177.3	64.9	75.1	3.4	111.8	Y1138 C1139 E1150 K1203 M1204 R1209 K1210 F1211	Y1138-R1207 PolarHBondContact O-NH2 3.01Å; C1139-R1207 VanDerWaalsContact O-CD 3.3Å; C1139-R1207 WeakPolarHBondContact O-CD 3.45Å; C1139-R1207 PolarHBondContact O-NE 3.33Å; E1150-R1207 IonicContact OE1-CZ 3.87Å; E1150-R1207 IonicContact OE1-NH1 2.91Å; E1150-R1207 PolarHBondContact OE1-NH1 2.97Å; E1150-R1207 IonicContact OE1-NH2 3.76Å; E1150-R1207 PolarHBondContact OE1-NH2 3.29Å; E1150-R1207 IonicContact OE2-CZ 3.72Å; E1150-R1207 IonicContact OE2-NH1 3.99Å; E1150-R1207 IonicContact OE2-NH2 2.73Å; E1150-R1207 PolarHBondContact OE2-NH2 2.9Å; K1203-R1207 WeakPolarHBondContact O-CG 3.49Å; K1203-R1207 PolarHBondContact O-N 3Å; M1204-R1207 PolarHBondContact O-N 3.45Å; R1207-R1209 VanDerWaalsContact C-N 3.26Å; R1207-R1209 PolarHBondContact O-N 3.02Å; R1207-K1210 WeakPolarHBondContact O-CB 3.32Å; R1207-K1210 PolarHBondContact O-N 3.12Å; R1207-F1211 VanDerWaalsContact O-CD2 3.28Å; R1207-F1211 WeakPolarHBondContact O-CD2 3.43Å; R1207-F1211 PolarHBondContact O-N 3.49Å; R1207-F1211 VanDerWaalsContact O-N 3.15Å
1208	I	95.7	Very high	93.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-45.2	175.7	-67.5	165.3	0	0	0	110.5	C1139 Y1181 L1183 L1184 M1204 V1205 K1210 F1211 Q1212	C1139-I1208 HydrophobicContact CB-CG1 3.77Å; Y1181-I1208 HydrophobicContact CD1-CG2 4.16Å; L1183-I1208 HydrophobicContact CD2-CD1 4.09Å; L1184-I1208 HydrophobicContact CB-CG2 4.03Å; L1184-I1208 HydrophobicContact CD2-CG2 4.12Å; M1204-I1208 HydrophobicContact CE-CD1 4.03Å; M1204-I1208 HydrophobicContact CE-CG1 4.41Å; M1204-I1208 HydrophobicContact CG-CD1 4Å; M1204-I1208 VanDerWaalsContact O-CG1 3.28Å; M1204-I1208 WeakPolarHBondContact O-CG1 3.39Å; M1204-I1208 PolarHBondContact O-N 3.45Å; M1204-I1208 HydrophobicContact SD-CD1 4.28Å; M1204-I1208 HydrophobicContact SD-CG1 4.44Å; V1205-I1208 HydrophobicContact CG1-CD1 4.4Å; V1205-I1208 PolarHBondContact O-N 3.4Å; I1208-K1210 VanDerWaalsContact C-N 3.27Å; I1208-K1210 PolarHBondContact O-N 3.44Å; I1208-F1211 PolarHBondContact O-N 2.9Å; I1208-Q1212 WeakPolarHBondContact O-CB 3.37Å; I1208-Q1212 PolarHBondContact O-N 2.76Å
1209	R	95.2	Very high	93.7	Very high	107 Å²	107	45.6 Å²	45.6	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-35.7	179.5	-179.6	55.7	-178.2	169.7	7.9	112.3	L1184 V1205 D1206 R1207 V1213	L1184-R1209 HydrophobicContact CD1-CB 4.41Å; L1184-R1209 HydrophobicContact CD2-CB 4.09Å; V1205-R1209 PolarHBondContact O-N 2.99Å; D1206-R1209 PolarHBondContact O-N 2.93Å; R1207-R1209 VanDerWaalsContact C-N 3.26Å; R1207-R1209 PolarHBondContact O-N 3.02Å; R1209-V1213 WeakPolarHBondContact O-CG2 3.48Å; R1209-V1213 PolarHBondContact O-N 2.73Å; R1209-V1213 VanDerWaalsContact O-N 3.16Å
1210	K	94.1	Very high	93.8	Very high	156 Å²	156	48.3 Å²	48.3	68%	0.678	24%	0.237	S	C	*	.	H	α-helix	trans	-65.4	-48.8	176.4	-67.8	179.8	-179.7	-174.8	0	111.7	D1206 R1207 I1208 Q1212 V1213 L1214	D1206-K1210 PolarHBondContact O-N 3.49Å; R1207-K1210 WeakPolarHBondContact O-CB 3.32Å; R1207-K1210 PolarHBondContact O-N 3.12Å; I1208-K1210 VanDerWaalsContact C-N 3.27Å; I1208-K1210 PolarHBondContact O-N 3.44Å; K1210-Q1212 VanDerWaalsContact C-N 3.3Å; K1210-Q1212 PolarHBondContact O-N 2.97Å; K1210-V1213 PolarHBondContact O-N 2.88Å; K1210-L1214 PolarHBondContact O-N 3.16Å
1211	F	95	Very high	93.8	Very high	12 Å²	12	49 Å²	49	5%	0.053	24%	0.239	C	C	.	.	H	α-helix	trans	-68	-30.3	177.5	-67.9	-66.6	0	0	0	112.8	Y1138 C1139 V1149 H1158 R1207 I1208 L1214 N1215	Y1138-F1211 HydrophobicContact CD2-CD1 4.36Å; Y1138-F1211 AromaticContact CD2-CD2 3.98Å; Y1138-F1211 HydrophobicContact CD2-CD2 3.98Å; Y1138-F1211 HydrophobicContact CD2-CE1 4.32Å; Y1138-F1211 AromaticContact CD2-CE2 3.91Å; Y1138-F1211 HydrophobicContact CD2-CE2 3.91Å; Y1138-F1211 HydrophobicContact CD2-CG 4.2Å; Y1138-F1211 HydrophobicContact CD2-CZ 4.09Å; Y1138-F1211 HydrophobicContact CE2-CB 4.13Å; Y1138-F1211 AromaticContact CE2-CD1 3.96Å; Y1138-F1211 HydrophobicContact CE2-CD1 3.96Å; Y1138-F1211 AromaticContact CE2-CD2 3.9Å; Y1138-F1211 HydrophobicContact CE2-CD2 3.9Å; Y1138-F1211 HydrophobicContact CE2-CE1 4.35Å; Y1138-F1211 HydrophobicContact CE2-CE2 4.28Å; Y1138-F1211 AromaticContact CE2-CG 3.73Å; Y1138-F1211 HydrophobicContact CE2-CG 3.73Å; Y1138-F1211 HydrophobicContact CE2-CZ 4.49Å; C1139-F1211 VanDerWaalsContact SG-CD2 3.57Å; V1149-F1211 HydrophobicContact CG1-CE1 4.2Å; V1149-F1211 HydrophobicContact CG1-CZ 3.7Å; H1158-F1211 AromaticContact CE1-CD1 3.48Å; H1158-F1211 VanDerWaalsContact CE1-CD1 3.48Å; H1158-F1211 WeakPolarHBondContact CE1-CD1 3.35Å; H1158-F1211 AromaticContact CE1-CE1 3.46Å; H1158-F1211 VanDerWaalsContact CE1-CE1 3.46Å; H1158-F1211 WeakPolarHBondContact CE1-CE1 3.47Å; H1158-F1211 AromaticContact NE2-CD1 3.65Å; H1158-F1211 AromaticContact NE2-CE1 3.29Å; H1158-F1211 VanDerWaalsContact NE2-CE1 3.29Å; H1158-F1211 WeakPolarHBondContact NE2-CE1 3.25Å; R1207-F1211 VanDerWaalsContact O-CD2 3.28Å; R1207-F1211 WeakPolarHBondContact O-CD2 3.43Å; R1207-F1211 PolarHBondContact O-N 3.49Å; R1207-F1211 VanDerWaalsContact O-N 3.15Å; I1208-F1211 PolarHBondContact O-N 2.9Å; F1211-L1214 HydrophobicContact CD1-CD2 4.35Å; F1211-L1214 PolarHBondContact O-N 3.38Å; F1211-N1215 WeakPolarHBondContact O-CB 3.29Å; F1211-N1215 PolarHBondContact O-N 3.22Å; F1211-N1215 PolarHBondContact O-ND2 3.38Å; F1211-N1215 PolarHBondContact O-OD1 3.09Å
1212	Q	95	Very high	93.8	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-49.9	170.9	-177.2	175.4	51	0	0	111.3	Y1181 I1208 K1210 L1214 N1215 D1216	Y1181-Q1212 HydrophobicContact CD1-CB 4.21Å; Y1181-Q1212 HydrophobicContact CD1-CG 4.19Å; Y1181-Q1212 HydrophobicContact CE1-CB 3.55Å; Y1181-Q1212 HydrophobicContact CE1-CG 3.7Å; Y1181-Q1212 HydrophobicContact CE2-CG 4.3Å; I1208-Q1212 WeakPolarHBondContact O-CB 3.37Å; I1208-Q1212 PolarHBondContact O-N 2.76Å; K1210-Q1212 VanDerWaalsContact C-N 3.3Å; K1210-Q1212 PolarHBondContact O-N 2.97Å; Q1212-L1214 VanDerWaalsContact C-N 3.32Å; Q1212-L1214 PolarHBondContact O-N 2.97Å; Q1212-N1215 PolarHBondContact O-N 3.27Å; Q1212-D1216 WeakPolarHBondContact O-CB 2.88Å; Q1212-D1216 PolarHBondContact O-N 3.01Å
1213	V	94.8	Very high	93.7	Very high	71 Å²	71	47.3 Å²	47.3	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-61.5	-42.1	178	173.4	0	0	0	0	111.3	R1209 K1210 D1216 E1217	R1209-V1213 WeakPolarHBondContact O-CG2 3.48Å; R1209-V1213 PolarHBondContact O-N 2.73Å; R1209-V1213 VanDerWaalsContact O-N 3.16Å; K1210-V1213 PolarHBondContact O-N 2.88Å; V1213-D1216 PolarHBondContact O-N 3.12Å; V1213-E1217 WeakPolarHBondContact O-CB 3.46Å; V1213-E1217 PolarHBondContact O-N 3.06Å
1214	L	94.3	Very high	93.6	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-47.6	177.4	-179.3	62.7	0	0	0	112.1	H1158 K1210 F1211 Q1212 E1217 I1218	H1158-L1214 HydrophobicContact CB-CD2 4.09Å; K1210-L1214 PolarHBondContact O-N 3.16Å; F1211-L1214 HydrophobicContact CD1-CD2 4.35Å; F1211-L1214 PolarHBondContact O-N 3.38Å; Q1212-L1214 VanDerWaalsContact C-N 3.32Å; Q1212-L1214 PolarHBondContact O-N 2.97Å; L1214-E1217 PolarHBondContact O-N 3.18Å; L1214-I1218 HydrophobicContact CD1-CD1 4.05Å; L1214-I1218 HydrophobicContact CD1-CG1 4.43Å; L1214-I1218 HydrophobicContact CG-CD1 3.94Å; L1214-I1218 VanDerWaalsContact O-CG1 3.28Å; L1214-I1218 WeakPolarHBondContact O-CG1 3.4Å; L1214-I1218 PolarHBondContact O-N 3.49Å
1215	N	94.8	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-44.5	178.5	-66.8	-8.5	0	0	0	111.1	Q1135 Y1181 F1211 Q1212 E1217 I1218 F1219	Q1135-N1215 PolarHBondContact OE1-ND2 2.64Å; Y1181-N1215 PolarHBondContact OH-ND2 2.83Å; F1211-N1215 WeakPolarHBondContact O-CB 3.29Å; F1211-N1215 PolarHBondContact O-N 3.22Å; F1211-N1215 PolarHBondContact O-ND2 3.38Å; F1211-N1215 PolarHBondContact O-OD1 3.09Å; Q1212-N1215 PolarHBondContact O-N 3.27Å; N1215-E1217 VanDerWaalsContact C-N 3.28Å; N1215-E1217 PolarHBondContact O-N 3.47Å; N1215-I1218 PolarHBondContact O-N 3.07Å; N1215-F1219 HydrophobicContact CB-CD2 4.21Å; N1215-F1219 HydrophobicContact CB-CE2 4.02Å; N1215-F1219 WeakPolarHBondContact O-CB 3.37Å; N1215-F1219 WeakPolarHBondContact O-CD2 3.34Å; N1215-F1219 WeakPolarHBondContact O-CG 3.48Å; N1215-F1219 PolarHBondContact O-N 2.7Å
1216	D	93.9	Very high	92.6	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-41.8	178.3	-70.7	-21	0	0	0	111.1	Q1212 V1213 A1220	Q1212-D1216 WeakPolarHBondContact O-CB 2.88Å; Q1212-D1216 PolarHBondContact O-N 3.01Å; V1213-D1216 PolarHBondContact O-N 3.12Å; D1216-A1220 VanDerWaalsContact O-CB 3.31Å; D1216-A1220 WeakPolarHBondContact O-CB 3.38Å; D1216-A1220 PolarHBondContact O-N 3.12Å
1217	E	94.3	Very high	91.3	Very high	112 Å²	112	56.7 Å²	56.7	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-49.8	175.2	-177.6	178.6	176.8	0	0	111.7	V1213 L1214 N1215 F1219 A1220 I1221	V1213-E1217 WeakPolarHBondContact O-CB 3.46Å; V1213-E1217 PolarHBondContact O-N 3.06Å; L1214-E1217 PolarHBondContact O-N 3.18Å; N1215-E1217 VanDerWaalsContact C-N 3.28Å; N1215-E1217 PolarHBondContact O-N 3.47Å; E1217-F1219 PolarHBondContact O-N 3.3Å; E1217-A1220 WeakPolarHBondContact O-CB 3.46Å; E1217-A1220 PolarHBondContact O-N 3.19Å; E1217-I1221 HydrophobicContact CG-CD1 4.15Å; E1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; E1217-I1221 PolarHBondContact O-N 2.95Å
1218	I	95.4	Very high	89.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-46.5	179.6	-65.4	168.9	0	0	0	110.5	H1158 W1159 C1162 L1214 N1215 A1220 I1221 L1222	H1158-I1218 HydrophobicContact CB-CD1 3.83Å; W1159-I1218 HydrophobicContact CD2-CD1 4.49Å; W1159-I1218 HydrophobicContact CD2-CG1 4.28Å; W1159-I1218 HydrophobicContact CD2-CG2 3.96Å; W1159-I1218 HydrophobicContact CE3-CG2 4.09Å; W1159-I1218 HydrophobicContact CG-CD1 4.07Å; W1159-I1218 HydrophobicContact CG-CG1 4.38Å; W1159-I1218 HydrophobicContact CG-CG2 4.32Å; W1159-I1218 HydrophobicContact CZ2-CG1 4.31Å; W1159-I1218 HydrophobicContact CZ3-CG2 4.49Å; C1162-I1218 HydrophobicContact CB-CB 4.3Å; C1162-I1218 HydrophobicContact CB-CG2 3.61Å; L1214-I1218 HydrophobicContact CD1-CD1 4.05Å; L1214-I1218 HydrophobicContact CD1-CG1 4.43Å; L1214-I1218 HydrophobicContact CG-CD1 3.94Å; L1214-I1218 VanDerWaalsContact O-CG1 3.28Å; L1214-I1218 WeakPolarHBondContact O-CG1 3.4Å; L1214-I1218 PolarHBondContact O-N 3.49Å; N1215-I1218 PolarHBondContact O-N 3.07Å; I1218-A1220 VanDerWaalsContact C-N 3.32Å; I1218-A1220 PolarHBondContact O-N 3.44Å; I1218-I1221 PolarHBondContact O-N 3.02Å; I1218-L1222 HydrophobicContact CG2-CD1 3.72Å; I1218-L1222 HydrophobicContact CG2-CG 4.2Å; I1218-L1222 WeakPolarHBondContact O-CG 3.34Å; I1218-L1222 PolarHBondContact O-N 2.97Å
1219	F	94.6	Very high	86.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-40.9	176.6	-74.7	-51.7	0	0	0	112.1	C1162 I1165 A1166 Q1171 F1174 N1215 E1217 I1221 N1223	C1162-F1219 HydrophobicContact CB-CD1 4.02Å; C1162-F1219 HydrophobicContact CB-CE1 3.64Å; C1162-F1219 HydrophobicContact CB-CZ 3.9Å; C1162-F1219 VanDerWaalsContact O-CE1 3.27Å; C1162-F1219 WeakPolarHBondContact O-CE1 3.3Å; I1165-F1219 HydrophobicContact CB-CE1 3.94Å; I1165-F1219 HydrophobicContact CB-CZ 4.09Å; I1165-F1219 HydrophobicContact CD1-CZ 4.31Å; I1165-F1219 HydrophobicContact CG2-CE1 3.75Å; I1165-F1219 HydrophobicContact CG2-CZ 3.75Å; A1166-F1219 HydrophobicContact CB-CD1 4.23Å; A1166-F1219 HydrophobicContact CB-CE1 4.41Å; Q1171-F1219 HydrophobicContact CB-CD1 4.31Å; Q1171-F1219 HydrophobicContact CB-CE1 4.19Å; Q1171-F1219 HydrophobicContact CG-CB 4.37Å; Q1171-F1219 HydrophobicContact CG-CD1 3.74Å; Q1171-F1219 HydrophobicContact CG-CD2 3.85Å; Q1171-F1219 HydrophobicContact CG-CE1 3.88Å; Q1171-F1219 HydrophobicContact CG-CE2 4Å; Q1171-F1219 HydrophobicContact CG-CG 3.75Å; Q1171-F1219 HydrophobicContact CG-CZ 4.02Å; F1174-F1219 HydrophobicContact CD1-CE2 4.04Å; F1174-F1219 HydrophobicContact CD1-CZ 4.23Å; F1174-F1219 HydrophobicContact CE1-CE2 4.09Å; F1174-F1219 HydrophobicContact CE1-CZ 4.46Å; N1215-F1219 HydrophobicContact CB-CD2 4.21Å; N1215-F1219 HydrophobicContact CB-CE2 4.02Å; N1215-F1219 WeakPolarHBondContact O-CB 3.37Å; N1215-F1219 WeakPolarHBondContact O-CD2 3.34Å; N1215-F1219 WeakPolarHBondContact O-CG 3.48Å; N1215-F1219 PolarHBondContact O-N 2.7Å; E1217-F1219 PolarHBondContact O-N 3.3Å; F1219-I1221 VanDerWaalsContact C-N 3.32Å; F1219-I1221 PolarHBondContact O-N 3.42Å; F1219-N1223 VanDerWaalsContact O-CB 3.26Å; F1219-N1223 WeakPolarHBondContact O-CB 3.44Å; F1219-N1223 VanDerWaalsContact O-CG 3.26Å; F1219-N1223 PolarHBondContact O-N 3.25Å; F1219-N1223 PolarHBondContact O-ND2 3.21Å
1220	A	92.5	Very high	84.3	Confident	62 Å²	62	61 Å²	61	51%	0.512	32%	0.322	S	S	.	.	H	α-helix	trans	-61.2	-42.1	176.4	0	0	0	0	0	111.5	D1216 E1217 I1218 K1224	D1216-A1220 VanDerWaalsContact O-CB 3.31Å; D1216-A1220 WeakPolarHBondContact O-CB 3.38Å; D1216-A1220 PolarHBondContact O-N 3.12Å; E1217-A1220 WeakPolarHBondContact O-CB 3.46Å; E1217-A1220 PolarHBondContact O-N 3.19Å; I1218-A1220 VanDerWaalsContact C-N 3.32Å; I1218-A1220 PolarHBondContact O-N 3.44Å; A1220-K1224 WeakPolarHBondContact O-CB 3.33Å; A1220-K1224 PolarHBondContact O-N 2.83Å
1221	I	92.3	Very high	81.7	Confident	47 Å²	47	56 Å²	56	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-51.9	177.5	-64.2	165.5	0	0	0	110.9	W1159 E1217 I1218 F1219 N1223 K1224 Y1225	W1159-I1221 HydrophobicContact CH2-CB 4.3Å; W1159-I1221 HydrophobicContact CH2-CD1 4.19Å; W1159-I1221 HydrophobicContact CH2-CG2 3.87Å; W1159-I1221 HydrophobicContact CZ2-CD1 4.14Å; E1217-I1221 HydrophobicContact CG-CD1 4.15Å; E1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; E1217-I1221 PolarHBondContact O-N 2.95Å; I1218-I1221 PolarHBondContact O-N 3.02Å; F1219-I1221 VanDerWaalsContact C-N 3.32Å; F1219-I1221 PolarHBondContact O-N 3.42Å; I1221-N1223 VanDerWaalsContact C-N 3.34Å; I1221-N1223 PolarHBondContact O-N 2.83Å; I1221-K1224 WeakPolarHBondContact O-CB 3.34Å; I1221-K1224 PolarHBondContact O-N 3.32Å; I1221-K1224 VanDerWaalsContact O-N 3.08Å; I1221-Y1225 HydrophobicContact CG2-CD2 3.93Å; I1221-Y1225 HydrophobicContact CG2-CE2 3.94Å; I1221-Y1225 WeakPolarHBondContact O-CD2 3.37Å; I1221-Y1225 PolarHBondContact O-N 3.34Å
1222	L	92.1	Very high	79	Confident	3 Å²	3	65 Å²	65	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-58.5	-45.6	-179.2	-69	170.7	0	0	0	111.7	F1093 L1097 W1159 C1162 M1163 A1166 I1218 K1224 Y1225 M1226	F1093-L1222 HydrophobicContact CE1-CD2 4.32Å; F1093-L1222 HydrophobicContact CZ-CD2 4.33Å; L1097-L1222 HydrophobicContact CD1-CD2 4.03Å; L1097-L1222 HydrophobicContact CD2-CD2 3.93Å; W1159-L1222 HydrophobicContact CE3-CD2 4.4Å; W1159-L1222 HydrophobicContact CZ3-CD2 4.07Å; W1159-L1222 HydrophobicContact CZ3-CG 4.45Å; C1162-L1222 HydrophobicContact CB-CD1 4.33Å; M1163-L1222 HydrophobicContact CB-CD1 4.16Å; A1166-L1222 HydrophobicContact CB-CB 4.42Å; A1166-L1222 HydrophobicContact CB-CD1 4.16Å; I1218-L1222 HydrophobicContact CG2-CD1 3.72Å; I1218-L1222 HydrophobicContact CG2-CG 4.2Å; I1218-L1222 WeakPolarHBondContact O-CG 3.34Å; I1218-L1222 PolarHBondContact O-N 2.97Å; L1222-K1224 VanDerWaalsContact C-N 3.29Å; L1222-K1224 PolarHBondContact O-N 3.36Å; L1222-Y1225 PolarHBondContact O-N 3.14Å; L1222-M1226 WeakPolarHBondContact O-CB 3.42Å; L1222-M1226 VanDerWaalsContact O-CG 3.28Å; L1222-M1226 WeakPolarHBondContact O-CG 3.41Å; L1222-M1226 PolarHBondContact O-N 3.15Å
1223	N	88.5	Confident	76.3	Confident	46 Å²	46	71.3 Å²	71.3	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-66.5	-30.4	177.4	-74	-49.1	0	0	0	113	Q1171 F1219 I1221 K1227	Q1171-N1223 PolarHBondContact OE1-ND2 3.04Å; F1219-N1223 VanDerWaalsContact O-CB 3.26Å; F1219-N1223 WeakPolarHBondContact O-CB 3.44Å; F1219-N1223 VanDerWaalsContact O-CG 3.26Å; F1219-N1223 PolarHBondContact O-N 3.25Å; F1219-N1223 PolarHBondContact O-ND2 3.21Å; I1221-N1223 VanDerWaalsContact C-N 3.34Å; I1221-N1223 PolarHBondContact O-N 2.83Å; N1223-K1227 WeakPolarHBondContact O-CD 3.47Å; N1223-K1227 WeakPolarHBondContact O-CG 3.07Å; N1223-K1227 PolarHBondContact O-N 3.11Å
1224	K	87.9	Confident	73.7	Confident	157 Å²	157	74.6 Å²	74.6	68%	0.683	41%	0.405	S	S	*	.	H	α-helix	trans	-64.8	-43.6	176.3	-178	-176.4	174.8	-172.8	0	110.9	A1220 I1221 L1222	A1220-K1224 WeakPolarHBondContact O-CB 3.33Å; A1220-K1224 PolarHBondContact O-N 2.83Å; I1221-K1224 WeakPolarHBondContact O-CB 3.34Å; I1221-K1224 PolarHBondContact O-N 3.32Å; I1221-K1224 VanDerWaalsContact O-N 3.08Å; L1222-K1224 VanDerWaalsContact C-N 3.29Å; L1222-K1224 PolarHBondContact O-N 3.36Å
1225	Y	85.9	Confident	71.3	Confident	59 Å²	59	78.6 Å²	78.6	23%	0.231	43%	0.432	C	S	.	.	H	α-helix	trans	-77.2	-23	178.4	-78.1	-80.2	0	0	0	113.8	L1008 F1093 E1094 I1221 L1222 K1227 S1228	L1008-Y1225 HydrophobicContact CD1-CE2 4.16Å; F1093-Y1225 HydrophobicContact CB-CD1 4.35Å; F1093-Y1225 HydrophobicContact CD1-CD1 4.04Å; F1093-Y1225 AromaticContact CD1-CD2 3.83Å; F1093-Y1225 HydrophobicContact CD1-CD2 3.83Å; F1093-Y1225 HydrophobicContact CD1-CE1 4.49Å; F1093-Y1225 HydrophobicContact CD1-CE2 4.32Å; F1093-Y1225 AromaticContact CD1-CG 3.68Å; F1093-Y1225 HydrophobicContact CD1-CG 3.68Å; F1093-Y1225 HydrophobicContact CE1-CD2 4.16Å; F1093-Y1225 HydrophobicContact CE1-CG 4.36Å; E1094-Y1225 WeakPolarHBondContact CB-O 3.31Å; E1094-Y1225 VanDerWaalsContact CG-O 3.31Å; E1094-Y1225 WeakPolarHBondContact CG-O 3.47Å; I1221-Y1225 HydrophobicContact CG2-CD2 3.93Å; I1221-Y1225 HydrophobicContact CG2-CE2 3.94Å; I1221-Y1225 WeakPolarHBondContact O-CD2 3.37Å; I1221-Y1225 PolarHBondContact O-N 3.34Å; L1222-Y1225 PolarHBondContact O-N 3.14Å; Y1225-K1227 VanDerWaalsContact C-N 3.31Å; Y1225-S1228 PolarHBondContact O-OG 3.47Å
1226	M	79.6	Confident	68.9	Low	50 Å²	50	85.5 Å²	85.5	25%	0.246	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.1	175.1	-73	-66.5	-60.3	0	0	113.9	L1097 L1167 L1222	L1097-M1226 HydrophobicContact CB-SD 3.62Å; L1097-M1226 HydrophobicContact CD1-CG 4.08Å; L1097-M1226 HydrophobicContact CD1-SD 4.03Å; L1097-M1226 HydrophobicContact CG-SD 4.49Å; L1167-M1226 HydrophobicContact CD2-CE 4.04Å; L1167-M1226 HydrophobicContact CD2-SD 3.91Å; L1222-M1226 WeakPolarHBondContact O-CB 3.42Å; L1222-M1226 VanDerWaalsContact O-CG 3.28Å; L1222-M1226 WeakPolarHBondContact O-CG 3.41Å; L1222-M1226 PolarHBondContact O-N 3.15Å
1227	K	66.6	Low	67.2	Low	143 Å²	143	90.4 Å²	90.4	62%	0.622	50%	0.495	S	S	*	.	S	Bend	trans	-103.3	-5.6	-176.6	-74.9	178.1	-177.3	-174.3	0	114.3	N1223 Y1225 G1229	N1223-K1227 WeakPolarHBondContact O-CD 3.47Å; N1223-K1227 WeakPolarHBondContact O-CG 3.07Å; N1223-K1227 PolarHBondContact O-N 3.11Å; Y1225-K1227 VanDerWaalsContact C-N 3.31Å; K1227-G1229 PolarHBondContact O-N 3.32Å
1228	S	52.2	Low	66.1	Low	74 Å²	74	93.7 Å²	93.7	52%	0.517	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.3	-174.9	24.6	0	0	0	0	114.7	E1094 Y1225	E1094-S1228 VanDerWaalsContact OE2-CB 3.3Å; E1094-S1228 WeakPolarHBondContact OE2-CB 3.32Å; E1094-S1228 PolarHBondContact OE2-OG 3.37Å; Y1225-S1228 PolarHBondContact O-OG 3.47Å
1229	G	44.3	Very low	65.3	Low	50 Å²	50	99 Å²	99	52%	0.515	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.4	175.7	0	0	0	0	0	117.1	E1094 K1227 G1231	E1094-G1229 PolarHBondContact OE1-N 2.87Å; K1227-G1229 PolarHBondContact O-N 3.32Å; G1229-G1231 VanDerWaalsContact C-N 3.27Å; G1229-G1231 PolarHBondContact O-N 3.29Å
1230	D	42.1	Very low	64.6	Low	111 Å²	111	106.1 Å²	106.1	59%	0.594	57%	0.569	S	S	*	*			trans	-81.3	73.1	177.8	-75.1	-25.4	0	0	0	110.7
1231	G	39.9	Very low	64.2	Low	52 Å²	52	108.3 Å²	108.3	54%	0.536	58%	0.579	S	S	.	*			trans	-62.1	150.1	165.7	0	0	0	0	0	111.2	G1229 N1233	G1229-G1231 VanDerWaalsContact C-N 3.27Å; G1229-G1231 PolarHBondContact O-N 3.29Å; G1231-N1233 PolarHBondContact O-N 2.75Å
1232	E	37.9	Very low	63.9	Low	202 Å²	202	112 Å²	112	94%	0.944	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	10.6	-172.5	-65.7	-176.2	146.8	0	0	117.3
1233	N	39.1	Very low	63.3	Low	163 Å²	163	120.1 Å²	120.1	87%	0.872	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	20.9	-174.8	-83.8	-22.8	0	0	0	115.6	G1231	G1231-N1233 PolarHBondContact O-N 2.75Å
1234	M	39.2	Very low	63.1	Low	140 Å²	140	122.4 Å²	122.4	69%	0.69	65%	0.649	S	S	*	*	S	Bend	trans	-88	134.3	166.9	-79.1	-83.9	-103.9	0	0	110.7	V1236	M1234-V1236 PolarHBondContact O-N 3.3Å
1235	P	44.2	Very low	62.6	Low	112 Å²	112	121.4 Å²	121.4	73%	0.727	66%	0.659	S	S	*	*			trans	-61.3	138.7	172.4	27.2	-31.7	0	0	0	108.7	E1237	P1235-E1237 PolarHBondContact O-N 3.49Å; P1235-E1237 VanDerWaalsContact O-N 3.07Å
1236	V	45.3	Very low	62.3	Low	145 Å²	145	124.1 Å²	124.1	88%	0.879	68%	0.676	S	S	*	*			trans	-35.6	115.1	178.9	-175	0	0	0	0	110.6	M1234 H1238	M1234-V1236 PolarHBondContact O-N 3.3Å; V1236-H1238 PolarHBondContact O-N 3.34Å
1237	E	57.5	Low	62.2	Low	168 Å²	168	128.1 Å²	128.1	79%	0.785	69%	0.694	S	S	*	*			trans	-48.5	129.2	179	-90.9	-160.9	142.5	0	0	110.3	P1235 V1239	P1235-E1237 PolarHBondContact O-N 3.49Å; P1235-E1237 VanDerWaalsContact O-N 3.07Å; E1237-V1239 PolarHBondContact O-N 2.98Å
1238	H	70.3	Confident	62.3	Low	181 Å²	181	129.5 Å²	129.5	84%	0.838	70%	0.702	S	S	*	*			trans	-68.8	106	-176.7	-174.1	69.3	0	0	0	110.9	V1236	V1236-H1238 PolarHBondContact O-N 3.34Å
1239	V	78.6	Confident	63.2	Low	113 Å²	113	130 Å²	130	69%	0.685	71%	0.706	S	S	*	*			trans	-82.7	135.2	172.9	-176.7	0	0	0	0	109.7	E1237 C1241	E1237-V1239 PolarHBondContact O-N 2.98Å; V1239-C1241 PolarHBondContact O-N 3.49Å; V1239-C1241 VanDerWaalsContact O-N 3.12Å
1240	R	80.9	Confident	64.1	Low	151 Å²	151	132.8 Å²	132.8	57%	0.57	71%	0.709	S	S	*	*			trans	-62.9	112.6	176	-175.7	178.1	179.6	-172.4	-3.8	110.9	G1117	G1117-R1240 PolarHBondContact O-NH1 3.23Å; G1117-R1240 PolarHBondContact O-NH2 3.35Å; G1117-R1240 VanDerWaalsContact O-NH2 3.07Å
1241	C	84.8	Confident	64.9	Low	108 Å²	108	130.7 Å²	130.7	73%	0.73	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-83.2	148.2	175	-64.1	0	0	0	0	111.9	V1239	V1239-C1241 PolarHBondContact O-N 3.49Å; V1239-C1241 VanDerWaalsContact O-N 3.12Å
1242	F	84.6	Confident	65.6	Low	125 Å²	125	133.6 Å²	133.6	55%	0.548	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-103.8	140.4	170.4	-58.4	-74	0	0	0	109.6	V1118	V1118-F1242 HydrophobicContact CB-CZ 4.34Å; V1118-F1242 HydrophobicContact CG1-CZ 4.11Å; V1118-F1242 HydrophobicContact CG2-CE1 3.8Å; V1118-F1242 HydrophobicContact CG2-CZ 3.77Å
1243	Q	80.4	Confident	66	Low	172 Å²	172	131.6 Å²	131.6	80%	0.804	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.6	175.9	-67.1	-65	-20.9	0	0	109.4
1244	P	83.1	Confident	67.3	Low	94 Å²	94	130.1 Å²	130.1	61%	0.61	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-61.5	156.8	167.7	28.8	-33.5	0	0	0	109.4	I1246	P1244-I1246 PolarHBondContact O-N 2.93Å
1245	P	78.5	Confident	68.8	Low	137 Å²	137	129.5 Å²	129.5	89%	0.89	72%	0.721	S	S	*	*			trans	-55.3	112.3	175.6	21.7	-31.2	0	0	0	109.6
1246	I	78.8	Confident	70.2	Confident	115 Å²	115	130.5 Å²	130.5	59%	0.59	72%	0.721	S	S	*	*			trans	-80	128.9	-177.6	-162	160.2	0	0	0	109.4	P1244 Q1248 L1250 A1251	P1244-I1246 PolarHBondContact O-N 2.93Å; I1246-Q1248 PolarHBondContact O-N 3.48Å; I1246-L1250 HydrophobicContact CG1-CB 4.36Å; I1246-A1251 HydrophobicContact CG2-CB 4.09Å
1247	H	76.9	Confident	71.6	Confident	134 Å²	134	129.6 Å²	129.6	62%	0.62	71%	0.712	S	S	*	*			trans	-65.3	134.4	175.7	-168.1	-96.8	0	0	0	109.2	S1249 L1250	H1247-S1249 PolarHBondContact ND1-N 2.7Å; H1247-S1249 PolarHBondContact ND1-OG 2.94Å; H1247-S1249 PolarHBondContact O-N 3.27Å; H1247-L1250 PolarHBondContact O-N 2.96Å
1248	Q	69.3	Low	72.5	Confident	172 Å²	172	127.3 Å²	127.3	80%	0.804	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-54.5	-24.4	-174.3	-75.2	172	-16.4	0	0	113.6	I1246 L1250	I1246-Q1248 PolarHBondContact O-N 3.48Å; Q1248-L1250 VanDerWaalsContact C-N 3.28Å; Q1248-L1250 PolarHBondContact O-N 2.99Å
1249	S	71.5	Confident	72.6	Confident	85 Å²	85	123.7 Å²	123.7	59%	0.594	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-71.6	-12.4	178.2	75.7	0	0	0	0	115.5	H1247	H1247-S1249 PolarHBondContact ND1-N 2.7Å; H1247-S1249 PolarHBondContact ND1-OG 2.94Å; H1247-S1249 PolarHBondContact O-N 3.27Å
1250	L	64.1	Low	72.2	Confident	109 Å²	109	124.4 Å²	124.4	57%	0.571	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-112.8	-6.5	-179.6	-69.3	157.3	0	0	0	112.6	I1246 H1247 Q1248 S1253	I1246-L1250 HydrophobicContact CG1-CB 4.36Å; H1247-L1250 PolarHBondContact O-N 2.96Å; Q1248-L1250 VanDerWaalsContact C-N 3.28Å; Q1248-L1250 PolarHBondContact O-N 2.99Å; L1250-S1253 PolarHBondContact O-OG 3.23Å
1251	A	57.5	Low	71.6	Confident	67 Å²	67	122.4 Å²	122.4	55%	0.554	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-2.2	-175.6	0	0	0	0	0	114.1	I1246	I1246-A1251 HydrophobicContact CG2-CB 4.09Å
1252	S	54.8	Low	70.5	Confident	113 Å²	113	123.6 Å²	123.6	79%	0.79	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	13.6	-178.7	39.3	0	0	0	0	113.8
1253	S	46	Very low	69.2	Low	160 Å²	160	123.5 Å²	123.5	100%	1.119	72%	0.722	S	S	*	*			trans	-107.7	0	171.4	55.5	0	0	0	0	111.8	L1250	L1250-S1253 PolarHBondContact O-OG 3.23Å

Retrieved 1,253 of 1,253 residues in 404 ms (Link to these results)

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