FGDH_CAEEL Loading...

FYVE, RhoGEF and PH domain-containing protein tag-77

Activates cdc-42, a member of the Ras-like family of Rho- and Rac proteins, by exchanging bound GDP for free GTP (By similarity). May play a role in regulating the actin cytoskeleton and cell shape (By similarity). Required for normal lifespan¹.

AlphaFold DB , UniProt , Accession X5LX76, Species CAEEL (Caenorhabditis elegans), Gene tag-77, Length 1,029 aa.

						>FGDH_CAEEL|X5LX76|tag-77
MKYDMNHRKNSDDTPPASRTVKEMMAEFQNKLDDGDNRFRKQPPPPPSPRRAPPPPPHRKPASLSPPPDDENTIRPPSSSESSENIPEEPQELITPNTTRRSLGPKPTVAPKPLFLNGLLPSSSTSDVSSQNSPKCDPHPSCTTPTILVSPATSEYSNGVFFGANETNGSGVKDRARQLVNMGFVPRMQNGGTGTPSERPISQVSTLSQVSDEFDEGDTSASDEESMNSEKHLRRHRHEDDFDELPLPKNERKTTTVAATHSEIMNEMEHLFVRGGKKNNGVHKQQRRQSNIDEIPSDVGKLRDNRKGRHNSLFVSPTSGMSSSSTDDFSRITSMTSDRSSILTSHSGGEDSTDGASPVPDYETGDEKDDQRLKKLHYAAVEFLKVQNNYVQYLKEMAVLYPEYMERFGKRVGRDLLASHNGHENVVLQIKKIMVQILPIHEMLLKEIDKVCSNWDSRYPNMSKTIGTFADFLKCCQPFLDNKADFLNKLLQLRNEDKEFDEATYMFETEVFKRGKKGAVIQQLDQVHQNFMRYKLLMLRYSEYLIDDCDEKEKAQEAIQKLENVTQAVNQKMGLPTTEELTKLYYRFQCQFNVLEPGRVLIRQSEVMKQTRKELQPRYLVLFTDYLWICRVSSSGQFDINRSYRIPLEYMKFERMEEDERIRCLQIRSRVKSALIIFSSEKERNQWTDDLTKAQYDRKSYKRRQSTAVQRHDENKKKMNKLLMLTPEVPDASDLERPQLIDSRSRSMSCESQDELSSVPVTPLDNGEIDETLGFGEVTRNGSGKKPPSEMIKPVWLPDNISNECLMEGCSTEFNIINRRHHCRDCGWLICKFCKGQAPLSKYDFTKQNVCSECFDRHYKAYKDGVLFPSKNMIVQSDETILVKIGKRNDKEIVDPRKLFKAPVNYGFRHRNVEEKRAQSIVFGRVYLSFRSRKTETVRHALLRRDDLKLVFYKAELDSKSVLELLIYGYFYRETPLDDGWLFELVHRNQIRTDDTKDDVISFRVDNSASAKKWSAAFADKLELDPTRG
					

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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	35	Very low	32.3	Very low	242 Å²	242	185.2 Å²	185.2	100%	1.192	88%	0.875	S	S	*	*				0	156.4	0	-76.4	173.7	168.7	0	0	108.5
2	K	27.9	Very low	32.1	Very low	204 Å²	204	182 Å²	182	89%	0.887	87%	0.867	S	S	*	*			trans	-69.3	139.9	175.6	-64.5	-177.4	177.8	-175.1	0	110.3
3	Y	33.3	Very low	32.1	Very low	234 Å²	234	180.7 Å²	180.7	92%	0.918	87%	0.869	S	S	*	*			trans	-122.1	128.7	150.3	-106	-85.8	0	0	0	108.1
4	D	34.7	Very low	32.1	Very low	146 Å²	146	177 Å²	177	78%	0.781	86%	0.863	S	S	*	*			trans	-91.3	141.5	-175.7	-151.3	-22.3	0	0	0	109.7
5	M	31.2	Very low	32.3	Very low	177 Å²	177	172.6 Å²	172.6	87%	0.872	85%	0.854	S	S	*	*			trans	-88.2	114.9	178.8	-89.7	-74.2	-170.9	0	0	109.2
6	N	36.5	Very low	32.4	Very low	154 Å²	154	169.8 Å²	169.8	82%	0.824	85%	0.852	S	S	*	*			trans	-148.6	134.7	161.2	-110.4	-63.8	0	0	0	113.1
7	H	31.2	Very low	32.8	Very low	176 Å²	176	165.6 Å²	165.6	82%	0.815	85%	0.85	S	S	*	*			trans	-73.1	150.9	-176.1	-66.9	-66.9	0	0	0	112.9
8	R	32.4	Very low	33.4	Very low	250 Å²	250	160.9 Å²	160.9	94%	0.943	83%	0.834	S	S	*	*				-151	140	117.6	-110.6	164	-172.1	-169.4	0.3	111.4
9	K	30.4	Very low	34.6	Very low	190 Å²	190	160.9 Å²	160.9	83%	0.826	82%	0.823	S	S	*	*			trans	-75.7	145.7	177	-61.4	177.7	179	-178.9	0	110
10	N	33.6	Very low	35.9	Very low	170 Å²	170	155.8 Å²	155.8	91%	0.909	80%	0.799	S	S	*	*			trans	-156.4	169.6	132.4	-96.8	-10.6	0	0	0	108.6
11	S	29.2	Very low	36.4	Very low	94 Å²	94	150.9 Å²	150.9	66%	0.657	78%	0.776	S	S	*	*			trans	-90.8	173.6	-158.9	57	0	0	0	0	115.5
12	D	30.2	Very low	37.2	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	73%	0.731	S	S	*	*			trans	71.1	78.3	159.4	-48.3	-47.3	0	0	0	117.4
13	D	31.9	Very low	38.6	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	71%	0.709	S	S	*	*			trans	-138.5	131.9	155.3	-119.9	-35.9	0	0	0	110.1
14	T	32.5	Very low	39.5	Very low	129 Å²	129	127 Å²	127	79%	0.791	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-101.4	129.4	-177	-56.9	0	0	0	0	109.9
15	P	34.5	Very low	40.1	Very low	111 Å²	111	120.2 Å²	120.2	72%	0.721	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-64.8	142.3	-176.5	26.1	-34.5	0	0	0	111.9
16	P	34.7	Very low	41.3	Very low	127 Å²	127	112.2 Å²	112.2	83%	0.825	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-66.9	135.7	-175.5	27.1	-34.8	0	0	0	111.7	S18	P16-S18 PolarHBondContact O-N 3.3Å
17	A	38.1	Very low	42.1	Very low	99 Å²	99	107.9 Å²	107.9	82%	0.818	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.8	-174.3	0	0	0	0	0	112.8	R19	A17-R19 PolarHBondContact O-N 3.23Å
18	S	43.9	Very low	43	Very low	82 Å²	82	99.9 Å²	99.9	57%	0.573	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-62.7	127.4	-179.9	82.4	0	0	0	0	111.2	P16 T20 K450	P16-S18 PolarHBondContact O-N 3.3Å; S18-T20 PolarHBondContact O-N 3.21Å; S18-K450 PolarHBondContact OG-NZ 3Å
19	R	57.1	Low	43.8	Very low	161 Å²	161	90 Å²	90	61%	0.608	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-56.8	138.8	-180	-71.8	-171.2	-176.9	178.7	2.8	111.7	A17 E23 E27 K450	A17-R19 PolarHBondContact O-N 3.23Å; R19-E23 WeakPolarHBondContact CA-OE2 3.34Å; R19-E23 WeakPolarHBondContact CB-OE2 3.14Å; R19-E27 IonicContact NH1-OE2 3.23Å; R19-E27 PolarHBondContact NH1-OE2 2.87Å; R19-K450 PolarHBondContact O-NZ 3.11Å
20	T	58.9	Low	44.9	Very low	57 Å²	57	83.2 Å²	83.2	35%	0.35	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-82.4	160.4	-177.2	72.7	0	0	0	0	112.5	S18 K22 E23 M24	S18-T20 PolarHBondContact O-N 3.21Å; T20-K22 PolarHBondContact O-N 3.22Å; T20-K22 VanDerWaalsContact O-N 3.14Å; T20-K22 PolarHBondContact OG1-N 2.88Å; T20-E23 VanDerWaalsContact CB-OE1 3.3Å; T20-E23 WeakPolarHBondContact CB-OE1 3.43Å; T20-E23 VanDerWaalsContact CG2-OE1 3.26Å; T20-E23 WeakPolarHBondContact CG2-OE1 3.5Å; T20-E23 VanDerWaalsContact N-CD 3.33Å; T20-E23 PolarHBondContact N-OE1 3.3Å; T20-E23 PolarHBondContact N-OE2 2.81Å; T20-E23 PolarHBondContact O-N 2.95Å; T20-E23 VanDerWaalsContact OG1-CD 3.26Å; T20-E23 PolarHBondContact OG1-N 3.38Å; T20-E23 PolarHBondContact OG1-OE1 3.49Å; T20-M24 PolarHBondContact O-N 2.98Å
21	V	47.5	Very low	45.8	Very low	54 Å²	54	79.4 Å²	79.4	33%	0.327	45%	0.449	S	S	.	.	H	α-helix	trans	-43.5	-45.8	168.1	-172.8	0	0	0	0	111.5	E23 M24 M25 E447	V21-E23 PolarHBondContact O-N 2.89Å; V21-M24 PolarHBondContact O-N 3.2Å; V21-M25 HydrophobicContact CG1-CE 3.93Å; V21-M25 HydrophobicContact CG1-CG 4.41Å; V21-M25 HydrophobicContact CG1-SD 4.11Å; V21-M25 WeakPolarHBondContact O-CB 3.37Å; V21-M25 VanDerWaalsContact O-CG 3.26Å; V21-M25 WeakPolarHBondContact O-CG 3.38Å; V21-M25 PolarHBondContact O-N 3.44Å; V21-E447 VanDerWaalsContact CA-OE1 3.26Å; V21-E447 WeakPolarHBondContact CA-OE1 3.34Å; V21-E447 WeakPolarHBondContact CB-OE1 3.29Å; V21-E447 VanDerWaalsContact CG1-CD 3.44Å; V21-E447 HydrophobicContact CG1-CG 4Å; V21-E447 WeakPolarHBondContact CG1-OE1 3.3Å; V21-E447 VanDerWaalsContact CG2-CD 3.46Å; V21-E447 WeakPolarHBondContact CG2-OE1 3.19Å; V21-E447 WeakPolarHBondContact CG2-OE2 3.47Å
22	K	51.8	Low	46.4	Very low	57 Å²	57	77.9 Å²	77.9	25%	0.248	43%	0.433	C	S	.	.	H	α-helix	trans	-62.3	-41.4	-178	171.2	-175.9	165	-173.9	0	111.5	T20 A26 S811 T812	T20-K22 PolarHBondContact O-N 3.22Å; T20-K22 VanDerWaalsContact O-N 3.14Å; T20-K22 PolarHBondContact OG1-N 2.88Å; K22-A26 VanDerWaalsContact O-CB 3.22Å; K22-A26 WeakPolarHBondContact O-CB 3.34Å; K22-A26 PolarHBondContact O-N 2.98Å; K22-S811 WeakPolarHBondContact CE-O 3.4Å; K22-S811 PolarHBondContact NZ-O 2.89Å; K22-T812 PolarHBondContact NZ-OG1 3.15Å
23	E	57.1	Low	47.1	Very low	87 Å²	87	73.4 Å²	73.4	41%	0.407	41%	0.409	S	S	.	.	H	α-helix	trans	-71	-42.3	173.8	-68.9	132.8	-122.2	0	0	112.1	R19 T20 V21 M25 A26 E27	R19-E23 WeakPolarHBondContact CA-OE2 3.34Å; R19-E23 WeakPolarHBondContact CB-OE2 3.14Å; T20-E23 VanDerWaalsContact CB-OE1 3.3Å; T20-E23 WeakPolarHBondContact CB-OE1 3.43Å; T20-E23 VanDerWaalsContact CG2-OE1 3.26Å; T20-E23 WeakPolarHBondContact CG2-OE1 3.5Å; T20-E23 VanDerWaalsContact N-CD 3.33Å; T20-E23 PolarHBondContact N-OE1 3.3Å; T20-E23 PolarHBondContact N-OE2 2.81Å; T20-E23 PolarHBondContact O-N 2.95Å; T20-E23 VanDerWaalsContact OG1-CD 3.26Å; T20-E23 PolarHBondContact OG1-N 3.38Å; T20-E23 PolarHBondContact OG1-OE1 3.49Å; V21-E23 PolarHBondContact O-N 2.89Å; E23-M25 PolarHBondContact O-N 2.82Å; E23-A26 PolarHBondContact O-N 2.95Å; E23-E27 VanDerWaalsContact O-CB 3.31Å; E23-E27 WeakPolarHBondContact O-CB 3.36Å; E23-E27 PolarHBondContact O-N 2.77Å
24	M	52.8	Low	47.9	Very low	34 Å²	34	67.2 Å²	67.2	17%	0.167	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-29.3	178.4	-68.7	-156.5	-60.7	0	0	112.9	T20 V21 F28 K446 E447 K450	T20-M24 PolarHBondContact O-N 2.98Å; V21-M24 PolarHBondContact O-N 3.2Å; M24-F28 VanDerWaalsContact O-CB 3.24Å; M24-F28 WeakPolarHBondContact O-CB 2.97Å; M24-F28 PolarHBondContact O-N 3.08Å; M24-K446 HydrophobicContact CB-CD 3.88Å; M24-K446 HydrophobicContact CE-CB 3.89Å; M24-K446 HydrophobicContact CG-CD 4.48Å; M24-K446 PolarHBondContact O-NZ 3.4Å; M24-K446 HydrophobicContact SD-CB 4.12Å; M24-K446 HydrophobicContact SD-CD 4.18Å; M24-E447 WeakPolarHBondContact CE-OE1 3.35Å; M24-K450 HydrophobicContact CE-CB 4.22Å; M24-K450 HydrophobicContact CE-CD 4.11Å
25	M	47.3	Very low	48.1	Very low	4 Å²	4	62.6 Å²	62.6	2%	0.02	35%	0.354	C	S	.	.	H	α-helix	trans	-80.8	-36.5	171.2	-72.9	-169.6	173.1	0	0	113.3	V21 E23 F28 Q29 M443 F469 N815 I817	V21-M25 HydrophobicContact CG1-CE 3.93Å; V21-M25 HydrophobicContact CG1-CG 4.41Å; V21-M25 HydrophobicContact CG1-SD 4.11Å; V21-M25 WeakPolarHBondContact O-CB 3.37Å; V21-M25 VanDerWaalsContact O-CG 3.26Å; V21-M25 WeakPolarHBondContact O-CG 3.38Å; V21-M25 PolarHBondContact O-N 3.44Å; E23-M25 PolarHBondContact O-N 2.82Å; M25-F28 PolarHBondContact O-N 2.92Å; M25-Q29 WeakPolarHBondContact O-CB 3.3Å; M25-Q29 PolarHBondContact O-N 2.91Å; M25-M443 HydrophobicContact CB-CE 4.01Å; M25-M443 HydrophobicContact CE-CB 3.8Å; M25-M443 HydrophobicContact CE-CG 4.03Å; M25-M443 HydrophobicContact CE-SD 3.83Å; M25-M443 HydrophobicContact CG-CE 3.92Å; M25-M443 HydrophobicContact CG-CG 4.03Å; M25-M443 HydrophobicContact CG-SD 4.08Å; M25-M443 HydrophobicContact SD-CE 4.21Å; M25-M443 HydrophobicContact SD-SD 4.02Å; M25-F469 HydrophobicContact CE-CE1 3.99Å; M25-F469 HydrophobicContact CE-CE2 4.26Å; M25-F469 HydrophobicContact CE-CZ 3.38Å; M25-N815 WeakPolarHBondContact CB-ND2 3.43Å; M25-I817 HydrophobicContact CE-CD1 3.31Å; M25-I817 HydrophobicContact CE-CG1 3.81Å; M25-I817 HydrophobicContact SD-CB 3.94Å; M25-I817 HydrophobicContact SD-CD1 3.83Å; M25-I817 HydrophobicContact SD-CG1 3.77Å
26	A	55.1	Low	48.4	Very low	8 Å²	8	62 Å²	62	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-60.9	-54.1	171.5	0	0	0	0	0	110.6	K22 E23 F28 Q29 N30 E813	K22-A26 VanDerWaalsContact O-CB 3.22Å; K22-A26 WeakPolarHBondContact O-CB 3.34Å; K22-A26 PolarHBondContact O-N 2.98Å; E23-A26 PolarHBondContact O-N 2.95Å; A26-F28 PolarHBondContact O-N 3.31Å; A26-F28 VanDerWaalsContact O-N 3.12Å; A26-Q29 PolarHBondContact O-N 3.06Å; A26-N30 VanDerWaalsContact O-CB 3.28Å; A26-N30 WeakPolarHBondContact O-CB 3.45Å; A26-N30 VanDerWaalsContact O-CG 3.27Å; A26-N30 PolarHBondContact O-N 3.22Å; A26-N30 PolarHBondContact O-ND2 2.78Å; A26-E813 HydrophobicContact CB-CB 4.38Å; A26-E813 VanDerWaalsContact CB-OE2 3.25Å; A26-E813 WeakPolarHBondContact CB-OE2 3.5Å
27	E	54.7	Low	48.2	Very low	63 Å²	63	56.7 Å²	56.7	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-56.6	-29.2	174.8	-163.1	-156.4	100	0	0	112.1	R19 E23 K31 K446	R19-E27 IonicContact NH1-OE2 3.23Å; R19-E27 PolarHBondContact NH1-OE2 2.87Å; E23-E27 VanDerWaalsContact O-CB 3.31Å; E23-E27 WeakPolarHBondContact O-CB 3.36Å; E23-E27 PolarHBondContact O-N 2.77Å; E27-K31 WeakPolarHBondContact O-CB 3.46Å; E27-K31 WeakPolarHBondContact O-CD 3.11Å; E27-K31 VanDerWaalsContact O-CG 3.24Å; E27-K31 WeakPolarHBondContact O-CG 3.33Å; E27-K31 PolarHBondContact O-N 2.68Å; E27-K31 VanDerWaalsContact O-N 3.09Å; E27-K31 IonicContact OE1-NZ 3.13Å; E27-K31 PolarHBondContact OE1-NZ 3.49Å; E27-K446 IonicContact OE1-NZ 2.97Å
28	F	48.8	Very low	47.9	Very low	8 Å²	8	58.2 Å²	58.2	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-83.2	-43.3	177.9	-173.8	-98.8	0	0	0	114.1	M24 M25 A26 N30 K31 L32 P439 E442 M443	M24-F28 VanDerWaalsContact O-CB 3.24Å; M24-F28 WeakPolarHBondContact O-CB 2.97Å; M24-F28 PolarHBondContact O-N 3.08Å; M25-F28 PolarHBondContact O-N 2.92Å; A26-F28 PolarHBondContact O-N 3.31Å; A26-F28 VanDerWaalsContact O-N 3.12Å; F28-N30 PolarHBondContact O-N 3.38Å; F28-K31 CarbonylContact O-C 3.57Å; F28-K31 WeakPolarHBondContact O-CA 3.27Å; F28-K31 WeakPolarHBondContact O-CB 3.22Å; F28-K31 PolarHBondContact O-N 2.97Å; F28-L32 HydrophobicContact CD1-CD1 4.29Å; F28-L32 HydrophobicContact CD1-CG 4.46Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 HydrophobicContact CE1-CD2 4.12Å; F28-L32 HydrophobicContact CE1-CG 3.94Å; F28-L32 HydrophobicContact CZ-CD1 4.43Å; F28-L32 HydrophobicContact CZ-CD2 3.95Å; F28-L32 HydrophobicContact CZ-CG 4.21Å; F28-L32 PolarHBondContact O-N 2.92Å; F28-P439 VanDerWaalsContact CE1-CA 3.47Å; F28-P439 HydrophobicContact CE1-CB 3.81Å; F28-P439 HydrophobicContact CE1-CG 4.47Å; F28-P439 WeakPolarHBondContact CE1-O 3.45Å; F28-P439 HydrophobicContact CZ-CB 4.37Å; F28-E442 HydrophobicContact CD2-CB 4.43Å; F28-E442 HydrophobicContact CE1-CB 4.47Å; F28-E442 HydrophobicContact CE2-CB 3.74Å; F28-E442 HydrophobicContact CE2-CG 4.27Å; F28-E442 WeakPolarHBondContact CE2-OE2 3.26Å; F28-E442 HydrophobicContact CZ-CB 3.77Å; F28-E442 HydrophobicContact CZ-CG 4.32Å; F28-E442 WeakPolarHBondContact CZ-OE2 3.33Å; F28-M443 HydrophobicContact CD1-CE 4.01Å; F28-M443 HydrophobicContact CD1-CG 3.91Å; F28-M443 HydrophobicContact CE1-CG 4.41Å
29	Q	48.7	Very low	47.2	Very low	44 Å²	44	60.6 Å²	60.6	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-44.4	169.7	-176	63.4	58.1	0	0	109.4	M25 A26 K31 L32 D33 N815	M25-Q29 WeakPolarHBondContact O-CB 3.3Å; M25-Q29 PolarHBondContact O-N 2.91Å; A26-Q29 PolarHBondContact O-N 3.06Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 2.74Å; Q29-L32 WeakPolarHBondContact O-CA 3.44Å; Q29-L32 WeakPolarHBondContact O-CB 3.35Å; Q29-L32 PolarHBondContact O-N 2.92Å; Q29-D33 PolarHBondContact NE2-OD1 3.05Å; Q29-D33 PolarHBondContact O-N 2.74Å; Q29-N815 HydrophobicContact CB-CB 4.38Å
30	N	55.5	Low	46.1	Very low	47 Å²	47	59 Å²	59	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-54.1	-46.9	170.6	-75.5	-53.9	0	0	0	111.7	A26 F28 L32 D33 D34 K954	A26-N30 VanDerWaalsContact O-CB 3.28Å; A26-N30 WeakPolarHBondContact O-CB 3.45Å; A26-N30 VanDerWaalsContact O-CG 3.27Å; A26-N30 PolarHBondContact O-N 3.22Å; A26-N30 PolarHBondContact O-ND2 2.78Å; F28-N30 PolarHBondContact O-N 3.38Å; N30-L32 PolarHBondContact O-N 3.19Å; N30-D33 CarbonylContact O-C 3.43Å; N30-D33 PolarHBondContact O-N 3.17Å; N30-D34 VanDerWaalsContact O-CB 3.24Å; N30-D34 WeakPolarHBondContact O-CB 3.48Å; N30-D34 PolarHBondContact O-N 3.49Å; N30-K954 PolarHBondContact O-NZ 2.92Å; N30-K954 WeakPolarHBondContact OD1-CD 3.26Å; N30-K954 WeakPolarHBondContact OD1-CE 3.41Å; N30-K954 PolarHBondContact OD1-NZ 3.3Å
31	K	51.1	Low	44.9	Very low	89 Å²	89	65 Å²	65	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-9.7	175.1	-77.8	167	178.3	174.8	0	115.7	E27 F28 Q29 R38	E27-K31 WeakPolarHBondContact O-CB 3.46Å; E27-K31 WeakPolarHBondContact O-CD 3.11Å; E27-K31 VanDerWaalsContact O-CG 3.24Å; E27-K31 WeakPolarHBondContact O-CG 3.33Å; E27-K31 PolarHBondContact O-N 2.68Å; E27-K31 VanDerWaalsContact O-N 3.09Å; E27-K31 IonicContact OE1-NZ 3.13Å; E27-K31 PolarHBondContact OE1-NZ 3.49Å; F28-K31 CarbonylContact O-C 3.57Å; F28-K31 WeakPolarHBondContact O-CA 3.27Å; F28-K31 WeakPolarHBondContact O-CB 3.22Å; F28-K31 PolarHBondContact O-N 2.97Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 2.74Å; K31-R38 PolarHBondContact O-NH2 3.36Å
32	L	42.1	Very low	44.4	Very low	62 Å²	62	71.4 Å²	71.4	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-92.9	-44.9	168	-61.5	175.9	0	0	0	111.4	F28 Q29 N30 D34 G35 P439	F28-L32 HydrophobicContact CD1-CD1 4.29Å; F28-L32 HydrophobicContact CD1-CG 4.46Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 HydrophobicContact CE1-CD2 4.12Å; F28-L32 HydrophobicContact CE1-CG 3.94Å; F28-L32 HydrophobicContact CZ-CD1 4.43Å; F28-L32 HydrophobicContact CZ-CD2 3.95Å; F28-L32 HydrophobicContact CZ-CG 4.21Å; F28-L32 PolarHBondContact O-N 2.92Å; Q29-L32 WeakPolarHBondContact O-CA 3.44Å; Q29-L32 WeakPolarHBondContact O-CB 3.35Å; Q29-L32 PolarHBondContact O-N 2.92Å; N30-L32 PolarHBondContact O-N 3.19Å; L32-D34 PolarHBondContact O-N 3.07Å; L32-G35 WeakPolarHBondContact O-CA 3.38Å; L32-G35 PolarHBondContact O-N 2.85Å; L32-P439 HydrophobicContact CD1-CB 3.97Å; L32-P439 HydrophobicContact CD1-CG 3.87Å; L32-P439 HydrophobicContact CD2-CG 4.05Å
33	D	44.6	Very low	43.5	Very low	54 Å²	54	73.4 Å²	73.4	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-69.5	-15.7	175.5	-44.3	-30.9	0	0	0	112.5	Q29 N30 R939	Q29-D33 PolarHBondContact NE2-OD1 3.05Å; Q29-D33 PolarHBondContact O-N 2.74Å; N30-D33 CarbonylContact O-C 3.43Å; N30-D33 PolarHBondContact O-N 3.17Å; D33-R939 PolarHBondContact O-NH2 2.9Å
34	D	48.4	Very low	42.4	Very low	35 Å²	35	74.4 Å²	74.4	19%	0.187	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	19	167.6	-58.3	-55.5	0	0	0	111.3	N30 L32 N37 R38 R939 K954	N30-D34 VanDerWaalsContact O-CB 3.24Å; N30-D34 WeakPolarHBondContact O-CB 3.48Å; N30-D34 PolarHBondContact O-N 3.49Å; L32-D34 PolarHBondContact O-N 3.07Å; D34-N37 HydrophobicContact CB-CB 4.1Å; D34-N37 CarbonylContact O-C 3.37Å; D34-N37 VanDerWaalsContact O-C 3.29Å; D34-N37 WeakPolarHBondContact O-CA 3.21Å; D34-N37 PolarHBondContact O-N 2.98Å; D34-R38 VanDerWaalsContact O-CG 3.28Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; D34-R939 IonicContact OD1-CZ 3.31Å; D34-R939 IonicContact OD1-NH2 2.77Å; D34-R939 PolarHBondContact OD1-NH2 3.21Å; D34-K954 IonicContact OD1-NZ 2.62Å; D34-K954 IonicContact OD2-NZ 2.8Å; D34-K954 PolarHBondContact OD2-NZ 3.41Å
35	G	38.1	Very low	41.8	Very low	32 Å²	32	78.3 Å²	78.3	33%	0.33	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-42.4	175.4	0	0	0	0	0	112.1	L32 N37 R933	L32-G35 WeakPolarHBondContact O-CA 3.38Å; L32-G35 PolarHBondContact O-N 2.85Å; G35-N37 PolarHBondContact O-N 3.46Å; G35-R933 PolarHBondContact O-NH1 3.15Å
36	D	39.5	Very low	41.3	Very low	97 Å²	97	83.6 Å²	83.6	52%	0.519	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.7	167.1	-74.6	-53.1	0	0	0	113.1	R933 T935 T937	D36-R933 VanDerWaalsContact C-NH1 3.34Å; D36-R933 VanDerWaalsContact O-CD 3.28Å; D36-R933 WeakPolarHBondContact O-CD 3.46Å; D36-R933 PolarHBondContact O-NH1 3.08Å; D36-T935 HydrophobicContact CB-CG2 4.38Å; D36-T935 PolarHBondContact O-OG1 2.89Å; D36-T937 HydrophobicContact CB-CG2 4.23Å
37	N	32.2	Very low	40.4	Very low	16 Å²	16	89.1 Å²	89.1	9%	0.086	47%	0.466	C	S	.	.			trans	-137.2	52.6	-156.2	-134.7	24.3	0	0	0	114.9	D34 G35 F930 T937	D34-N37 HydrophobicContact CB-CB 4.1Å; D34-N37 CarbonylContact O-C 3.37Å; D34-N37 VanDerWaalsContact O-C 3.29Å; D34-N37 WeakPolarHBondContact O-CA 3.21Å; D34-N37 PolarHBondContact O-N 2.98Å; G35-N37 PolarHBondContact O-N 3.46Å; N37-F930 WeakPolarHBondContact ND2-CE2 3.45Å; N37-F930 WeakPolarHBondContact OD1-CD2 3.36Å; N37-T937 HydrophobicContact CB-CG2 3.69Å; N37-T937 WeakPolarHBondContact ND2-CG2 3.39Å; N37-T937 PolarHBondContact ND2-OG1 3.11Å
38	R	31.8	Very low	39.8	Very low	132 Å²	132	91.4 Å²	91.4	50%	0.498	49%	0.489	S	S	.	.			trans	-111.6	90.2	178.3	-57.3	-168.3	-173.6	172.2	4.9	113.1	K31 D34 R933	K31-R38 PolarHBondContact O-NH2 3.36Å; D34-R38 VanDerWaalsContact O-CG 3.28Å; D34-R38 WeakPolarHBondContact O-CG 3.49Å; R38-R933 PolarHBondContact O-NE 2.71Å
39	F	28.3	Very low	39.6	Very low	131 Å²	131	97 Å²	97	58%	0.575	53%	0.527	S	S	*	.			trans	-167	93	153.8	-93.2	-64.7	0	0	0	112.9	S932 R933	F39-S932 WeakPolarHBondContact CB-OG 3.44Å; F39-S932 WeakPolarHBondContact CD2-OG 3.33Å; F39-S932 WeakPolarHBondContact CG-OG 3.39Å; F39-R933 HydrophobicContact CD2-CG 4.24Å
40	R	33.1	Very low	39.2	Very low	127 Å²	127	106.7 Å²	106.7	48%	0.479	56%	0.561	S	S	.	*			trans	-159.8	141.9	138.6	-128	173.4	-178.4	171.6	2.1	110	R992 D999	R40-R992 VanDerWaalsContact CZ-NH1 3.33Å; R40-D999 IonicContact CZ-OD1 3.74Å; R40-D999 IonicContact CZ-OD2 3.83Å; R40-D999 IonicContact NH1-OD1 3.8Å; R40-D999 PolarHBondContact NH1-OD1 3.09Å; R40-D999 IonicContact NH1-OD2 2.91Å; R40-D999 PolarHBondContact NH1-OD2 3.25Å; R40-D999 VanDerWaalsContact NH2-CG 3.26Å; R40-D999 IonicContact NH2-OD1 2.71Å; R40-D999 PolarHBondContact NH2-OD1 3.19Å; R40-D999 IonicContact NH2-OD2 3.11Å; R40-D999 PolarHBondContact NH2-OD2 2.94Å
41	K	34.4	Very low	38.4	Very low	185 Å²	185	116.5 Å²	116.5	80%	0.804	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-75.6	148.9	174.2	-64.2	172.9	-179.2	172.2	0	109.6
42	Q	37.1	Very low	38	Very low	187 Å²	187	116.1 Å²	116.1	87%	0.874	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-69.7	142.5	165.4	-73	-177.3	-25.2	0	0	109.9
43	P	33.3	Very low	38	Very low	100 Å²	100	118.7 Å²	118.7	65%	0.649	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-72	157.7	168.6	32.7	-34.6	0	0	0	110.8
44	P	32.8	Very low	38.2	Very low	107 Å²	107	121.8 Å²	121.8	70%	0.695	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-66.8	157.8	172.2	30.2	-35.6	0	0	0	111.7
45	P	40.1	Very low	38.3	Very low	116 Å²	116	125.7 Å²	125.7	75%	0.753	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.4	152.1	174.1	28.7	-35.4	0	0	0	111.7
46	P	38.4	Very low	38.8	Very low	116 Å²	116	130 Å²	130	75%	0.753	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.5	151.1	177.7	29.1	-35.3	0	0	0	111.7
47	P	35.4	Very low	38.8	Very low	124 Å²	124	130.6 Å²	130.6	81%	0.805	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-68.7	144	179	29.3	-35.2	0	0	0	111.6
48	S	42.2	Very low	39.1	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-54.6	136.8	178	-47.8	0	0	0	0	111.8	R50	S48-R50 PolarHBondContact O-N 3.39Å
49	P	45.7	Very low	39.4	Very low	127 Å²	127	144 Å²	144	83%	0.825	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.7	129.3	-176.3	24.7	-33.6	0	0	0	111.2	R51	P49-R51 PolarHBondContact O-N 3.34Å
50	R	39.7	Very low	40.1	Very low	246 Å²	246	147 Å²	147	93%	0.928	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.9	136.1	172.7	-79.1	-170.7	174.1	-144.1	0.1	109.9	S48 A52	S48-R50 PolarHBondContact O-N 3.39Å; R50-A52 PolarHBondContact O-N 3.36Å
51	R	37.9	Very low	40.6	Very low	253 Å²	253	146.4 Å²	146.4	96%	0.955	79%	0.792	S	S	*	*			trans	-61.1	105.7	-178.4	-158.6	179.3	-161.4	-137.6	6.9	110.7	P49	P49-R51 PolarHBondContact O-N 3.34Å
52	A	42.7	Very low	40.9	Very low	82 Å²	82	142.5 Å²	142.5	68%	0.678	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69	150.5	171.5	0	0	0	0	0	110.9	R50	R50-A52 PolarHBondContact O-N 3.36Å
53	P	42.5	Very low	40.9	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.6	154.5	176.8	30.8	-35.3	0	0	0	111.8
54	P	49.2	Very low	41.4	Very low	120 Å²	120	142 Å²	142	78%	0.779	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.6	144.1	179.4	30.4	-35	0	0	0	112.1
55	P	50.9	Low	41.9	Very low	116 Å²	116	141.8 Å²	141.8	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.4	156.4	170.3	31.3	-34.8	0	0	0	112
56	P	47.2	Very low	42.2	Very low	122 Å²	122	142 Å²	142	79%	0.792	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74	157.9	-176.1	30.6	-36.1	0	0	0	113.7
57	P	39.9	Very low	42.8	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86.1	143.4	-168.3	32.9	-36.1	0	0	0	115.9
58	H	38.3	Very low	43.2	Very low	175 Å²	175	142 Å²	142	81%	0.81	80%	0.802	S	S	*	*			trans	50.8	118.5	151.1	-60.5	-51.8	0	0	0	121.8
59	R	38.6	Very low	42.9	Very low	256 Å²	256	144.3 Å²	144.3	97%	0.966	81%	0.806	S	S	*	*				-138	149.4	123	-110.4	-178.8	178.6	-161.1	-1.8	111.3
60	K	41.8	Very low	43.1	Very low	193 Å²	193	146.2 Å²	146.2	84%	0.839	81%	0.809	S	S	*	*			trans	-143.8	171.9	-179	-102.5	-168.2	177.3	-174.3	0	106.5
61	P	45	Very low	42.9	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	80%	0.798	S	S	*	*			cis	-134.1	-173.1	-34.7	39.4	-23.4	0	0	0	111.7
62	A	40.8	Very low	43	Very low	103 Å²	103	137.2 Å²	137.2	85%	0.851	79%	0.794	S	S	*	*			trans	-149.9	154	149.6	0	0	0	0	0	109.2
63	S	37.3	Very low	42.6	Very low	111 Å²	111	138 Å²	138	78%	0.776	79%	0.791	S	S	*	*			trans	-160.8	148.8	-164.1	54.9	0	0	0	0	113.3
64	L	42.2	Very low	42.5	Very low	166 Å²	166	140.9 Å²	140.9	87%	0.869	80%	0.797	S	S	*	*			trans	-149.7	107.8	165.7	-102.3	164.5	0	0	0	113.5
65	S	43.6	Very low	41.7	Very low	102 Å²	102	146 Å²	146	71%	0.713	80%	0.801	S	S	*	*			trans	40.9	126.4	142.3	59.3	0	0	0	0	124.3
66	P	47.8	Very low	41.7	Very low	120 Å²	120	146 Å²	146	78%	0.779	80%	0.801	S	S	*	*			trans	-111.2	174.1	151.8	40.8	-31.5	0	0	0	113.5
67	P	50.3	Low	41.3	Very low	121 Å²	121	146.2 Å²	146.2	79%	0.786	80%	0.803	S	S	*	*			trans	-107.2	170.2	161.6	37.2	-26.8	0	0	0	113.3
68	P	44	Very low	41	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	80%	0.803	S	S	*	*			trans	-119	-179.6	-143	43.5	-35.4	0	0	0	117.6
69	D	36.5	Very low	40.8	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	80%	0.797	S	S	*	*			trans	-70.8	168.2	173.9	-45	-92.4	0	0	0	114.6
70	D	48	Very low	40.6	Very low	166 Å²	166	134.5 Å²	134.5	89%	0.888	78%	0.783	S	S	*	*			trans	-142.2	142.5	155.8	-153.4	-11.2	0	0	0	109.7
71	E	36	Very low	40.2	Very low	150 Å²	150	134.2 Å²	134.2	70%	0.701	78%	0.784	S	S	*	*			trans	-129.2	140.3	-167.3	-175.8	-170.5	170.9	0	0	110.3
72	N	41.5	Very low	39.7	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	78%	0.782	S	S	*	*			trans	-152.5	143.9	155.8	-113.3	-71.3	0	0	0	114.3
73	T	33	Very low	39.3	Very low	99 Å²	99	132.8 Å²	132.8	61%	0.607	77%	0.77	S	S	*	*			trans	-126.5	148.1	-170	-80.3	0	0	0	0	110.1
74	I	39.9	Very low	39.2	Very low	174 Å²	174	135.4 Å²	135.4	89%	0.892	77%	0.771	S	S	*	*			trans	-154.9	153.7	153	-105.7	145.7	0	0	0	111.1
75	R	32.8	Very low	38.7	Very low	228 Å²	228	133.2 Å²	133.2	86%	0.86	76%	0.759	S	S	*	*			trans	-107.2	163.6	-167.5	-102.5	180	156.1	-142.6	-0.4	113.9
76	P	50.4	Low	38.4	Very low	116 Å²	116	135.3 Å²	135.3	75%	0.753	76%	0.761	S	S	*	*			trans	-94.6	169.6	174.8	39.2	-35.9	0	0	0	113.8
77	P	40	Very low	38.1	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	76%	0.756	S	S	*	*			trans	-134.8	177.6	150.3	38.9	-24.8	0	0	0	114.9
78	S	33.9	Very low	37.3	Very low	103 Å²	103	138 Å²	138	72%	0.72	76%	0.762	S	S	*	*			trans	-80.3	-171.7	172.1	54.8	0	0	0	0	112
79	S	33.9	Very low	37	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	77%	0.765	S	S	*	*			cis	-166.1	-167	26.4	-24.6	0	0	0	0	111.6
80	S	33.9	Very low	37.4	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	75%	0.753	S	S	*	*			trans	68.7	114.6	158.7	44	0	0	0	0	117.3
81	E	33.4	Very low	36.7	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	75%	0.747	S	S	*	*				92.2	143.4	86.5	-78.8	167.1	164.5	0	0	112.4
82	S	35	Very low	36.4	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	75%	0.749	S	S	*	*			cis	-157.6	-176	-2.4	53.2	0	0	0	0	110.7
83	S	31.5	Very low	36	Very low	88 Å²	88	136.8 Å²	136.8	62%	0.615	74%	0.742	S	S	*	*			trans	27.8	133	142.4	59.2	0	0	0	0	119.4
84	E	35.1	Very low	36.1	Very low	167 Å²	167	138.4 Å²	138.4	78%	0.78	75%	0.746	S	S	*	*			cis	164.2	172.9	32	-110.8	-172.6	123.3	0	0	106.5
85	N	32.8	Very low	35.8	Very low	119 Å²	119	136.1 Å²	136.1	64%	0.636	74%	0.74	S	S	*	*			cis	-164.4	174.9	-24.9	-146	-26.7	0	0	0	108.8
86	I	37.4	Very low	36.2	Very low	146 Å²	146	130.5 Å²	130.5	75%	0.749	73%	0.733	S	S	*	*			trans	75.3	146	153.6	-70.6	161.3	0	0	0	119.4
87	P	39.9	Very low	35.5	Very low	105 Å²	105	132 Å²	132	68%	0.682	74%	0.735	S	S	*	*			trans	-124.5	-166	-169.3	40.7	-21.2	0	0	0	113.8
88	E	35.5	Very low	35.2	Very low	192 Å²	192	130.9 Å²	130.9	90%	0.897	73%	0.726	S	S	*	*				176	167.2	119.6	-93.8	-175.4	150.5	0	0	114
89	E	37	Very low	35.2	Very low	178 Å²	178	131.8 Å²	131.8	83%	0.832	73%	0.727	S	S	*	*			trans	-107.6	-162.2	-179.9	-122.6	-163.3	125.3	0	0	109.2
90	P	45	Very low	35.2	Very low	95 Å²	95	136.3 Å²	136.3	62%	0.617	73%	0.73	S	S	*	*			cis	-126.7	-140.7	-47.5	36.5	-18.2	0	0	0	110.9
91	Q	32.5	Very low	35.2	Very low	164 Å²	164	142 Å²	142	77%	0.766	74%	0.736	S	S	*	*			trans	91.2	140.2	169	-60.3	-171.9	-22.1	0	0	115.6
92	E	30.6	Very low	35.4	Very low	155 Å²	155	138.1 Å²	138.1	72%	0.724	73%	0.73	S	S	*	*			cis	163.8	147.2	-13.6	-109.2	-172.7	-169.2	0	0	103.9
93	L	33	Very low	35.5	Very low	140 Å²	140	141.9 Å²	141.9	73%	0.733	74%	0.742	S	S	*	*			trans	160	127.1	132.5	-107.4	62.7	0	0	0	113
94	I	34.3	Very low	35.6	Very low	133 Å²	133	140.7 Å²	140.7	68%	0.682	74%	0.743	S	S	*	*			trans	48	101.5	140.2	-55.4	168	0	0	0	117.1
95	T	33	Very low	35.8	Very low	126 Å²	126	139.1 Å²	139.1	77%	0.773	75%	0.747	S	S	*	*				72.2	159.2	58.2	88.1	0	0	0	0	114
96	P	41.4	Very low	35.9	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	76%	0.755	S	S	*	*				-130.6	-172.2	-120.2	35.3	-12.6	0	0	0	115.5
97	N	36.3	Very low	36	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	76%	0.759	S	S	*	*			trans	-170.4	137.8	146.6	-106.2	-30.1	0	0	0	120.8
98	T	33.5	Very low	35.9	Very low	104 Å²	104	142 Å²	142	64%	0.638	76%	0.761	S	S	*	*			trans	60.1	124.7	140.5	53.5	0	0	0	0	127.2
99	T	34.4	Very low	36	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	76%	0.757	S	S	*	*			trans	74.1	155.1	134.1	63.9	0	0	0	0	120.5
100	R	34.5	Very low	36.2	Very low	191 Å²	191	135.2 Å²	135.2	72%	0.721	75%	0.754	S	S	*	*			cis	-166.7	143.9	11.4	-134.9	173.8	-177.1	-159.6	5.8	112
101	R	34.1	Very low	36	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.808	76%	0.764	S	S	*	*			trans	57.6	155.2	153.5	-69.3	170.9	177.6	-163.3	-3.2	117.7
102	S	36.9	Very low	36	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	77%	0.768	S	S	*	*			cis	-169.1	174.1	5.6	25.4	0	0	0	0	107.9
103	L	36.9	Very low	36.7	Very low	178 Å²	178	136.9 Å²	136.9	93%	0.932	77%	0.773	S	S	*	*			cis	-155.4	-151.4	6.4	-128.6	169.8	0	0	0	110.8
104	G	33.4	Very low	36.8	Very low	62 Å²	62	137.8 Å²	137.8	64%	0.639	78%	0.778	S	S	*	*			trans	-105.2	-156.5	175.6	0	0	0	0	0	114.7
105	P	40.1	Very low	36.9	Very low	135 Å²	135	141.4 Å²	141.4	88%	0.877	79%	0.789	S	S	*	*			cis	-137.6	-166.5	28.4	42.4	-22.9	0	0	0	117.4
106	K	34.3	Very low	37	Very low	183 Å²	183	141.8 Å²	141.8	80%	0.796	79%	0.785	S	S	*	*			trans	-107.7	-179.5	-177.5	-63.4	178.3	174.9	177.7	0	113.6
107	P	38.7	Very low	36.8	Very low	128 Å²	128	143.8 Å²	143.8	83%	0.831	79%	0.79	S	S	*	*			trans	-122.9	173.6	135.4	33.4	-22.5	0	0	0	115.4
108	T	38.6	Very low	36.6	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.724	78%	0.784	S	S	*	*			trans	-163.1	164.2	-157.1	46.7	0	0	0	0	111.6
109	V	38.1	Very low	36.8	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	80%	0.795	S	S	*	*			cis	-169.4	157.5	-10.3	136	0	0	0	0	108.2
110	A	40.3	Very low	37	Very low	94 Å²	94	144.4 Å²	144.4	78%	0.777	80%	0.799	S	S	*	*			trans	-151	156.5	171.1	0	0	0	0	0	114.1
111	P	40.7	Very low	37.4	Very low	127 Å²	127	140.3 Å²	140.3	83%	0.825	80%	0.797	S	S	*	*			trans	-133.6	-170.4	-140.5	42.6	-25.7	0	0	0	118.9
112	K	34	Very low	37.6	Very low	195 Å²	195	135.6 Å²	135.6	85%	0.848	80%	0.796	S	S	*	*			trans	-113.1	162.2	174	-65.4	179	177	180	0	112.6
113	P	44	Very low	37.6	Very low	127 Å²	127	135.2 Å²	135.2	83%	0.825	79%	0.794	S	S	*	*			trans	-97.1	179	166.2	37.3	-32.7	0	0	0	114.9
114	L	35	Very low	37.7	Very low	160 Å²	160	131.3 Å²	131.3	84%	0.838	78%	0.781	S	S	*	*			trans	-141.5	156.6	-164	-64.6	165.8	0	0	0	113.8
115	F	36.5	Very low	37.9	Very low	208 Å²	208	134.6 Å²	134.6	91%	0.912	79%	0.789	S	S	*	*			trans	-164	159.6	152.8	-77.2	-74.2	0	0	0	110.7
116	L	35	Very low	37.8	Very low	134 Å²	134	132.4 Å²	132.4	70%	0.702	78%	0.777	S	S	*	*			cis	-168.2	134.1	-47.3	-171.6	64.8	0	0	0	111.6
117	N	36.5	Very low	38	Very low	153 Å²	153	131 Å²	131	82%	0.818	78%	0.778	S	S	*	*			trans	56	156	162.3	-63.4	-5.4	0	0	0	121.7
118	G	34.2	Very low	37.9	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	78%	0.776	S	S	*	*			cis	172	171.9	-9.4	0	0	0	0	0	115.5
119	L	37	Very low	37.7	Very low	166 Å²	166	130.5 Å²	130.5	87%	0.869	78%	0.777	S	S	*	*			trans	72.1	124.9	169.4	-46.5	176.2	0	0	0	118
120	L	37.3	Very low	37.6	Very low	156 Å²	156	130 Å²	130	82%	0.817	78%	0.779	S	S	*	*			cis	82.7	150.5	26.7	-62.4	174.2	0	0	0	116.5
121	P	44.8	Very low	37.4	Very low	105 Å²	105	133.6 Å²	133.6	68%	0.682	78%	0.78	S	S	*	*			cis	-146.6	-155.3	-45.3	44	-25.1	0	0	0	114.6
122	S	36.9	Very low	37.2	Very low	114 Å²	114	135 Å²	135	80%	0.797	78%	0.781	S	S	*	*			trans	86.1	150.5	158.6	78.7	0	0	0	0	120.3
123	S	37	Very low	37	Very low	99 Å²	99	130.9 Å²	130.9	69%	0.692	78%	0.776	S	S	*	*			cis	-168.7	168.9	-25.2	54.6	0	0	0	0	114.8
124	S	38.7	Very low	37	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	77%	0.768	S	S	*	*			trans	83	134.8	142.3	48.8	0	0	0	0	125.2
125	T	38	Very low	37.1	Very low	132 Å²	132	131.2 Å²	131.2	81%	0.81	77%	0.768	S	S	*	*			trans	68.4	146.9	147.7	48.1	0	0	0	0	122.3
126	S	38.7	Very low	36.9	Very low	88 Å²	88	126.2 Å²	126.2	62%	0.615	76%	0.758	S	S	*	*			cis	-176.8	134.5	-28.5	47	0	0	0	0	113.7
127	D	37.7	Very low	36.9	Very low	154 Å²	154	126.3 Å²	126.3	82%	0.824	76%	0.759	S	S	*	*			trans	66	154.2	138.3	-53.6	-32.7	0	0	0	127
128	V	37.2	Very low	37.3	Very low	131 Å²	131	124.5 Å²	124.5	79%	0.794	76%	0.756	S	S	*	*			trans	88.1	88.7	157.2	-162.6	0	0	0	0	121.9
129	S	33.9	Very low	37.4	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	76%	0.761	S	S	*	*				10.8	142.3	127.3	-45	0	0	0	0	123.1
130	S	37	Very low	37.7	Very low	123 Å²	123	126.8 Å²	126.8	86%	0.86	75%	0.754	S	S	*	*				176.5	163.4	106.1	-76.7	0	0	0	0	115.3
131	Q	35.1	Very low	37.5	Very low	170 Å²	170	125 Å²	125	79%	0.794	75%	0.754	S	S	*	*			trans	-90.9	154.7	-168.3	-57.8	156.2	-21.5	0	0	114.5
132	N	36.7	Very low	36.8	Very low	158 Å²	158	125.1 Å²	125.1	85%	0.845	76%	0.757	S	S	*	*				171.7	166.6	116.5	-88.7	-43	0	0	0	114.9
133	S	29.8	Very low	36.7	Very low	107 Å²	107	125.2 Å²	125.2	75%	0.748	75%	0.753	S	S	*	*			trans	-145.2	-161.5	-177.9	66.1	0	0	0	0	109.4
134	P	44.9	Very low	36.3	Very low	103 Å²	103	126.8 Å²	126.8	67%	0.669	76%	0.758	S	S	*	*			cis	-133.8	-174.8	-19.1	35.6	-15.7	0	0	0	114.2
135	K	36.3	Very low	35.8	Very low	192 Å²	192	127.5 Å²	127.5	84%	0.835	76%	0.761	S	S	*	*				159	139.7	128.2	-88.7	174.6	179.5	-179.9	0	118.5
136	C	33	Very low	35.3	Very low	103 Å²	103	127.2 Å²	127.2	70%	0.696	76%	0.759	S	S	*	*			trans	67.9	97	144.5	-60.9	0	0	0	0	123.8
137	D	34	Very low	34.8	Very low	135 Å²	135	129.9 Å²	129.9	72%	0.722	77%	0.765	S	S	*	*				36	157.6	100.3	-51.1	-57.1	0	0	0	121.9
138	P	45	Very low	34.2	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	76%	0.763	S	S	*	*			cis	-141.5	159.9	16.2	41.2	-21.9	0	0	0	120.6
139	H	36.3	Very low	33.9	Very low	167 Å²	167	130 Å²	130	77%	0.773	77%	0.765	S	S	*	*			trans	7	174.5	135.4	-68.9	-57.9	0	0	0	124.5
140	P	44	Very low	33.5	Very low	111 Å²	111	129.4 Å²	129.4	72%	0.721	76%	0.761	S	S	*	*			cis	-138.8	-176.7	7.7	26.3	0	0	0	0	119.1
141	S	33.6	Very low	33	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	76%	0.756	S	S	*	*			trans	81.6	144.1	164.5	77.6	0	0	0	0	118.4
142	C	29.2	Very low	32.7	Very low	109 Å²	109	126.1 Å²	126.1	74%	0.736	76%	0.76	S	S	*	*			cis	-143.8	135.4	13.5	-154.4	0	0	0	0	115.2
143	T	34	Very low	32.4	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	76%	0.755	S	S	*	*			trans	34.9	107.3	155.3	57.2	0	0	0	0	123.8
144	T	29.5	Very low	32.5	Very low	132 Å²	132	125.1 Å²	125.1	81%	0.81	76%	0.761	S	S	*	*				38.9	157.7	117	46.2	0	0	0	0	124.2
145	P	28.6	Very low	31.7	Very low	111 Å²	111	127.9 Å²	127.9	72%	0.721	77%	0.765	S	S	*	*			cis	-131	168.4	-14.7	37.1	-20.1	0	0	0	115.5
146	T	26.6	Very low	31.4	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	77%	0.77	S	S	*	*			trans	-78.1	142.7	165.5	-62.2	0	0	0	0	110.9
147	I	28.7	Very low	31.2	Very low	144 Å²	144	129.2 Å²	129.2	74%	0.738	76%	0.764	S	S	*	*			trans	-113.7	117.1	162.6	-65.5	179.2	0	0	0	108.9	V149	I147-V149 HydrophobicContact CG2-CG2 4.22Å
148	L	25.2	Very low	31	Very low	151 Å²	151	130.7 Å²	130.7	79%	0.791	77%	0.772	S	S	*	*			trans	-75.4	133.3	162.9	-72.2	161.6	0	0	0	108.6
149	V	29.7	Very low	30.1	Very low	136 Å²	136	128.6 Å²	128.6	82%	0.824	77%	0.771	S	S	*	*			trans	-111.9	93.8	163.7	-178	0	0	0	0	107.5	I147	I147-V149 HydrophobicContact CG2-CG2 4.22Å
150	S	26.2	Very low	29.8	Very low	92 Å²	92	127.1 Å²	127.1	64%	0.643	77%	0.774	S	S	*	*			trans	-64.8	147.8	174.8	-55.6	0	0	0	0	111	A152	S150-A152 PolarHBondContact O-N 3.09Å
151	P	27	Very low	28.9	Very low	119 Å²	119	130 Å²	130	77%	0.773	78%	0.775	S	S	*	*			trans	-71.6	109	170.3	29.8	-32.4	0	0	0	109.6	T153	P151-T153 PolarHBondContact O-N 2.7Å; P151-T153 VanDerWaalsContact O-N 3.1Å
152	A	29.5	Very low	28.7	Very low	106 Å²	106	133.5 Å²	133.5	88%	0.876	78%	0.776	S	S	*	*			trans	-79.7	88.2	175	0	0	0	0	0	110.6	S150	S150-A152 PolarHBondContact O-N 3.09Å
153	T	28.8	Very low	28.6	Very low	120 Å²	120	131.6 Å²	131.6	74%	0.736	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-79.9	121.2	160.8	47.6	0	0	0	0	109.2	P151	P151-T153 PolarHBondContact O-N 2.7Å; P151-T153 VanDerWaalsContact O-N 3.1Å
154	S	31.6	Very low	28.2	Very low	124 Å²	124	130.6 Å²	130.6	87%	0.867	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76.8	134.4	158.2	46.2	0	0	0	0	109.1
155	E	28.3	Very low	28.1	Very low	161 Å²	161	132 Å²	132	75%	0.752	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-86.2	142.9	-174.2	-57.4	176.4	126.7	0	0	110.9
156	Y	30.9	Very low	28	Very low	241 Å²	241	135.5 Å²	135.5	95%	0.945	79%	0.787	S	S	*	*			trans	-146.2	126	137	-119.2	-77.2	0	0	0	110.3
157	S	28.1	Very low	28	Very low	81 Å²	81	135.5 Å²	135.5	57%	0.566	79%	0.787	S	S	*	*			trans	-87.2	140.1	-159.5	-58	0	0	0	0	113.9
158	N	29.5	Very low	28	Very low	167 Å²	167	135.2 Å²	135.2	89%	0.893	79%	0.787	S	S	*	*				155	144.7	114	-82.3	-61	0	0	0	111.2
159	G	27.2	Very low	28.1	Very low	71 Å²	71	132.2 Å²	132.2	73%	0.732	79%	0.793	S	S	*	*			trans	160.3	21.8	168	0	0	0	0	0	123.1
160	V	30	Very low	28.2	Very low	136 Å²	136	128.8 Å²	128.8	82%	0.824	77%	0.774	S	S	*	*			trans	64.7	92.1	160	-169	0	0	0	0	118
161	F	24.5	Very low	28.5	Very low	172 Å²	172	127 Å²	127	75%	0.754	77%	0.771	S	S	*	*				53.2	117.5	113.4	-136.8	-97.8	0	0	0	120.3
162	F	29.1	Very low	29.1	Very low	191 Å²	191	124 Å²	124	84%	0.838	75%	0.75	S	S	*	*				-170.1	123.6	116.7	-105	-63.5	0	0	0	114.7
163	G	27.2	Very low	29.6	Very low	68 Å²	68	121.7 Å²	121.7	70%	0.701	72%	0.721	S	S	*	*				75.5	93.8	129	0	0	0	0	0	119.7
164	A	26.8	Very low	30	Very low	94 Å²	94	119.8 Å²	119.8	78%	0.777	71%	0.706	S	S	*	*			trans	-43.1	146.2	167.4	0	0	0	0	0	117.2
165	N	27.5	Very low	30.4	Very low	162 Å²	162	118.1 Å²	118.1	87%	0.866	68%	0.68	S	S	*	*				-160.5	137.9	112.4	-111.6	-11.8	0	0	0	111.7
166	E	25.2	Very low	30.7	Very low	185 Å²	185	111.8 Å²	111.8	86%	0.864	66%	0.656	S	S	*	*			trans	-82.1	130.5	175.5	-60.3	-178.2	119.3	0	0	110.9
167	T	26.4	Very low	31.1	Very low	124 Å²	124	106.2 Å²	106.2	76%	0.761	63%	0.633	S	S	*	*			trans	177.7	167.4	150.5	19.6	0	0	0	0	111.7
168	N	29.8	Very low	31.6	Very low	139 Å²	139	109.2 Å²	109.2	74%	0.743	64%	0.638	S	S	*	*			trans	75.1	85.7	162.5	-59.3	-47.8	0	0	0	119.4	S170	N168-S170 PolarHBondContact O-N 2.73Å
169	G	27	Very low	32.1	Very low	88 Å²	88	106.2 Å²	106.2	91%	0.907	62%	0.621	S	S	*	*			trans	-75.5	98.4	152.4	0	0	0	0	0	112.3
170	S	31.2	Very low	32.7	Very low	63 Å²	63	105.6 Å²	105.6	44%	0.441	60%	0.603	S	S	.	*			trans	-148.7	-20.5	173.6	64.4	0	0	0	0	116.8	N168 V172 K173	N168-S170 PolarHBondContact O-N 2.73Å; S170-V172 VanDerWaalsContact C-N 3.26Å; S170-V172 PolarHBondContact O-N 2.77Å; S170-K173 PolarHBondContact O-N 3.36Å
171	G	33.3	Very low	33.1	Very low	56 Å²	56	105 Å²	105	58%	0.577	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-18.9	-160.1	0	0	0	0	0	118.8	K173	G171-K173 VanDerWaalsContact C-N 3.31Å; G171-K173 PolarHBondContact O-N 2.96Å
172	V	40	Very low	33.5	Very low	55 Å²	55	101.4 Å²	101.4	33%	0.333	58%	0.582	S	S	.	*	H	α-helix	trans	-69.7	-28	176	-173.4	0	0	0	0	112	S170 D174 I602	S170-V172 VanDerWaalsContact C-N 3.26Å; S170-V172 PolarHBondContact O-N 2.77Å; V172-D174 PolarHBondContact O-N 2.9Å; V172-I602 VanDerWaalsContact CG1-O 3.26Å; V172-I602 WeakPolarHBondContact CG1-O 3.38Å
173	K	39	Very low	33.5	Very low	58 Å²	58	94.8 Å²	94.8	25%	0.252	57%	0.568	S	S	.	*	H	α-helix	trans	-66.1	-37.6	-169.4	-68.2	-173.6	-178.1	-159.1	0	114.3	S170 G171 Q686	S170-K173 PolarHBondContact O-N 3.36Å; G171-K173 VanDerWaalsContact C-N 3.31Å; G171-K173 PolarHBondContact O-N 2.96Å; K173-Q686 HydrophobicContact CD-CG 4.5Å; K173-Q686 VanDerWaalsContact CE-OE1 3.22Å
174	D	38.3	Very low	33.6	Very low	79 Å²	79	95.7 Å²	95.7	42%	0.422	55%	0.553	S	S	.	*	H	α-helix	trans	-92.1	-21.9	-171.5	-61.9	-52.9	0	0	0	113.7	V172 A176 R177 Q178	V172-D174 PolarHBondContact O-N 2.9Å; D174-A176 PolarHBondContact O-N 3.29Å; D174-R177 WeakPolarHBondContact O-CB 3.27Å; D174-R177 PolarHBondContact O-N 3.37Å; D174-R177 VanDerWaalsContact OD1-CD 3.27Å; D174-R177 WeakPolarHBondContact OD1-CD 2.92Å; D174-R177 IonicContact OD1-CZ 3.65Å; D174-R177 IonicContact OD1-NE 2.63Å; D174-R177 IonicContact OD1-NH1 3.74Å; D174-R177 PolarHBondContact OD1-NH1 2.68Å; D174-Q178 PolarHBondContact O-N 3.25Å; D174-Q178 VanDerWaalsContact O-N 3.11Å
175	R	38.6	Very low	33.6	Very low	89 Å²	89	96.4 Å²	96.4	34%	0.336	55%	0.547	S	S	.	.	H	α-helix	trans	-59.2	-44.9	170.4	-78.7	179.3	155.7	157	0.3	112.2	R177 G574 L575 E580	R175-R177 PolarHBondContact O-N 3.25Å; R175-G574 PolarHBondContact NE-O 3.35Å; R175-G574 PolarHBondContact NH2-O 3.42Å; R175-G574 VanDerWaalsContact NH2-O 3.17Å; R175-L575 VanDerWaalsContact CZ-O 3.25Å; R175-L575 PolarHBondContact NH2-O 2.88Å; R175-E580 IonicContact NH1-OE2 3.42Å
176	A	36	Very low	33.6	Very low	28 Å²	28	94.4 Å²	94.4	23%	0.231	54%	0.543	C	S	.	.	H	α-helix	trans	-75.6	-1.7	175.6	0	0	0	0	0	114.2	D174 I602 K693	D174-A176 PolarHBondContact O-N 3.29Å; A176-I602 HydrophobicContact CB-CG2 4.35Å; A176-K693 PolarHBondContact O-NZ 2.82Å
177	R	38.7	Very low	33.7	Very low	124 Å²	124	96.1 Å²	96.1	47%	0.468	54%	0.542	S	S	.	.	H	α-helix	trans	-92.9	-49	171.3	-74.5	167.4	163.8	175.4	-7.6	111.3	D174 R175 L179 V180 N181	D174-R177 WeakPolarHBondContact O-CB 3.27Å; D174-R177 PolarHBondContact O-N 3.37Å; D174-R177 VanDerWaalsContact OD1-CD 3.27Å; D174-R177 WeakPolarHBondContact OD1-CD 2.92Å; D174-R177 IonicContact OD1-CZ 3.65Å; D174-R177 IonicContact OD1-NE 2.63Å; D174-R177 IonicContact OD1-NH1 3.74Å; D174-R177 PolarHBondContact OD1-NH1 2.68Å; R175-R177 PolarHBondContact O-N 3.25Å; R177-L179 PolarHBondContact O-N 3.05Å; R177-V180 PolarHBondContact O-N 2.81Å; R177-N181 WeakPolarHBondContact O-CB 3.48Å; R177-N181 VanDerWaalsContact O-CG 3.32Å; R177-N181 PolarHBondContact O-N 3.01Å; R177-N181 PolarHBondContact O-OD1 2.88Å
178	Q	37.5	Very low	33.8	Very low	145 Å²	145	98.7 Å²	98.7	68%	0.678	55%	0.547	S	S	*	.	H	α-helix	trans	-59.3	-41.5	-176.7	-70.8	-179.6	-13.8	0	0	113.2	D174 V180	D174-Q178 PolarHBondContact O-N 3.25Å; D174-Q178 VanDerWaalsContact O-N 3.11Å; Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 2.76Å
179	L	40.1	Very low	33.9	Very low	104 Å²	104	100.2 Å²	100.2	55%	0.545	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.8	-178.9	-70.4	173.1	0	0	0	115.5	R177 L575	R177-L179 PolarHBondContact O-N 3.05Å; L179-L575 HydrophobicContact CD1-CD2 4.02Å
180	V	41.6	Very low	33.9	Very low	58 Å²	58	104.3 Å²	104.3	35%	0.352	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	-20.3	-179.9	-174.6	0	0	0	0	112.6	R177 Q178 M182	R177-V180 PolarHBondContact O-N 2.81Å; Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 2.76Å; V180-M182 PolarHBondContact O-N 3.18Å; V180-M182 VanDerWaalsContact O-N 3.11Å
181	N	36.3	Very low	33.8	Very low	124 Å²	124	105 Å²	105	66%	0.663	57%	0.567	S	S	*	*			trans	-72.8	2.1	178.4	-76.7	23.3	0	0	0	114	R177 G183	R177-N181 WeakPolarHBondContact O-CB 3.48Å; R177-N181 VanDerWaalsContact O-CG 3.32Å; R177-N181 PolarHBondContact O-N 3.01Å; R177-N181 PolarHBondContact O-OD1 2.88Å; N181-G183 VanDerWaalsContact C-N 3.25Å; N181-G183 PolarHBondContact O-N 2.83Å; N181-G183 VanDerWaalsContact O-N 3.13Å
182	M	34.7	Very low	33.7	Very low	95 Å²	95	106.2 Å²	106.2	47%	0.468	58%	0.58	S	S	.	*	S	Bend	trans	-87.8	44.5	-177.7	-58.5	-129	-87	0	0	113.6	V180 A484 N488	V180-M182 PolarHBondContact O-N 3.18Å; V180-M182 VanDerWaalsContact O-N 3.11Å; M182-A484 HydrophobicContact CE-CB 3.89Å; M182-N488 WeakPolarHBondContact CE-ND2 3.47Å; M182-N488 PolarHBondContact SD-ND2 3.31Å
183	G	28.3	Very low	33.2	Very low	53 Å²	53	110.8 Å²	110.8	55%	0.546	61%	0.608	S	S	.	*	S	Bend	trans	110.1	162.5	162.3	0	0	0	0	0	117.9	N181	N181-G183 VanDerWaalsContact C-N 3.25Å; N181-G183 PolarHBondContact O-N 2.83Å; N181-G183 VanDerWaalsContact O-N 3.13Å
184	F	29.1	Very low	32.9	Very low	87 Å²	87	111.5 Å²	111.5	38%	0.382	63%	0.633	S	S	.	*			trans	106.8	36.9	173.1	-62.4	-65.7	0	0	0	121.1	L491 N495	F184-L491 HydrophobicContact CE2-CD1 4.14Å; F184-L491 HydrophobicContact CE2-CD2 3.96Å; F184-L491 HydrophobicContact CE2-CG 4.46Å; F184-L491 HydrophobicContact CZ-CB 4.42Å; F184-L491 HydrophobicContact CZ-CD2 4.05Å; F184-N495 VanDerWaalsContact CE1-ND2 3.34Å; F184-N495 WeakPolarHBondContact CE1-ND2 3.29Å; F184-N495 WeakPolarHBondContact CZ-ND2 3.41Å
185	V	26.9	Very low	32.5	Very low	108 Å²	108	114.3 Å²	114.3	66%	0.655	65%	0.653	S	S	*	*			trans	-145.9	122.5	143.5	-171.8	0	0	0	0	110.3	Y696	V185-Y696 WeakPolarHBondContact CG2-OH 3.47Å
186	P	27.7	Very low	32.3	Very low	120 Å²	120	115.4 Å²	115.4	78%	0.779	67%	0.671	S	S	*	*			trans	-75.7	127.3	166.3	-12.1	28.6	0	0	0	110.7
187	R	26.5	Very low	32	Very low	221 Å²	221	119.3 Å²	119.3	83%	0.834	70%	0.697	S	S	*	*			trans	-94.4	100.3	171.2	-177.5	-179.8	-176.9	173.4	1.3	109.3
188	M	29.3	Very low	31.8	Very low	179 Å²	179	122.5 Å²	122.5	88%	0.882	72%	0.717	S	S	*	*			trans	-70.6	135.4	167.2	-57.6	-156.6	81.3	0	0	109.7
189	Q	31.6	Very low	31.4	Very low	170 Å²	170	126.9 Å²	126.9	79%	0.794	73%	0.728	S	S	*	*			trans	-100.9	146	163	-73.8	-178.4	-21.6	0	0	108.3
190	N	27.5	Very low	31.2	Very low	175 Å²	175	126.8 Å²	126.8	94%	0.936	73%	0.734	S	S	*	*			trans	-118.3	136.8	-172.4	-167.5	18.4	0	0	0	109.7
191	G	29.3	Very low	30.8	Very low	76 Å²	76	131 Å²	131	78%	0.784	75%	0.753	S	S	*	*			trans	153.1	115.3	-179.8	0	0	0	0	0	112.7
192	G	30.1	Very low	30.8	Very low	82 Å²	82	130 Å²	130	85%	0.845	76%	0.755	S	S	*	*			trans	154.3	81.4	-178.3	0	0	0	0	0	112.3
193	T	30.7	Very low	30.8	Very low	151 Å²	151	134.2 Å²	134.2	93%	0.926	77%	0.774	S	S	*	*			trans	-72.8	134.6	179.7	45.9	0	0	0	0	112.8
194	G	31.8	Very low	31.1	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	79%	0.785	S	S	*	*			trans	-176	130.5	169.6	0	0	0	0	0	113.4
195	T	30.3	Very low	31.4	Very low	137 Å²	137	138.4 Å²	138.4	84%	0.84	80%	0.8	S	S	*	*			trans	-146.9	169.5	-175.8	48.4	0	0	0	0	109.5
196	P	35.3	Very low	31.8	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	80%	0.803	S	S	*	*			cis	-130.7	-160.9	-23.7	34.5	-14.2	0	0	0	112.7
197	S	29.6	Very low	32	Very low	111 Å²	111	140.7 Å²	140.7	78%	0.776	81%	0.805	S	S	*	*			trans	78.9	148.2	162.4	81.7	0	0	0	0	117
198	E	33.3	Very low	32.3	Very low	191 Å²	191	134.8 Å²	134.8	89%	0.893	80%	0.798	S	S	*	*			cis	-125.1	-154.2	5	-73.1	-169.5	118.6	0	0	114
199	R	29.6	Very low	32.4	Very low	236 Å²	236	134.4 Å²	134.4	89%	0.891	79%	0.794	S	S	*	*			trans	-151.4	-176.7	-162.4	-106.5	-175.2	-177.2	-176.6	2.9	109.6
200	P	36	Very low	32.5	Very low	103 Å²	103	133 Å²	133	67%	0.669	80%	0.797	S	S	*	*			cis	-134.2	-164.6	-28.1	35.3	-14.6	0	0	0	112.4
201	I	32.2	Very low	32.7	Very low	147 Å²	147	129.2 Å²	129.2	75%	0.754	78%	0.784	S	S	*	*				171.5	121.3	121.6	-88.4	160	0	0	0	112.5
202	S	35.9	Very low	32.9	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	78%	0.782	S	S	*	*			trans	48.7	155.1	160.4	68.6	0	0	0	0	121
203	Q	36.7	Very low	33.3	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	78%	0.779	S	S	*	*			cis	-171.8	172.3	-21.6	-103.2	176.5	12.1	0	0	104.7
204	V	33.9	Very low	33.6	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	77%	0.771	S	S	*	*			cis	-134.1	176.3	10.5	-174	0	0	0	0	109.2
205	S	34.9	Very low	33.9	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	77%	0.771	S	S	*	*			trans	-64.4	177.8	173.7	-34.8	0	0	0	0	116.5
206	T	35.5	Very low	34.4	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	77%	0.771	S	S	*	*			cis	-157.2	141.1	18.6	2.5	0	0	0	0	113.3
207	L	32.7	Very low	34.4	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	77%	0.772	S	S	*	*				31.4	154.6	126.6	-55.8	173.9	0	0	0	121.7
208	S	32.8	Very low	34.7	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	77%	0.774	S	S	*	*			cis	-153.3	141.1	9.5	175.4	0	0	0	0	108.1
209	Q	31.1	Very low	34.8	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	77%	0.767	S	S	*	*				73.2	148.9	61.5	-89.4	-169.6	3.7	0	0	117.5
210	V	33.5	Very low	35.3	Very low	140 Å²	140	133 Å²	133	85%	0.848	76%	0.759	S	S	*	*			trans	82.9	159.5	-176	-41.5	0	0	0	0	119
211	S	31.9	Very low	35.3	Very low	96 Å²	96	132.4 Å²	132.4	67%	0.671	76%	0.762	S	S	*	*				178.8	130.9	-61	-103.4	0	0	0	0	111.3
212	D	33.7	Very low	35.6	Very low	139 Å²	139	129.8 Å²	129.8	74%	0.743	76%	0.757	S	S	*	*			trans	61.3	138.7	134.7	-55.5	-53.7	0	0	0	125.3
213	E	37.3	Very low	35.6	Very low	166 Å²	166	131.8 Å²	131.8	78%	0.776	76%	0.76	S	S	*	*			trans	87.2	126.6	141.6	-73.6	-178.6	164.3	0	0	127.2
214	F	37.2	Very low	35.5	Very low	172 Å²	172	130.5 Å²	130.5	75%	0.754	75%	0.754	S	S	*	*			trans	61.5	114.3	134.7	-73.8	-57.2	0	0	0	128.1
215	D	38.6	Very low	35.4	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	75%	0.754	S	S	*	*				99.8	-177.6	113.7	-128	36.5	0	0	0	125.5
216	E	40.4	Very low	35.2	Very low	182 Å²	182	132.4 Å²	132.4	85%	0.85	75%	0.754	S	S	*	*			trans	-92.3	176.6	-140.5	-89.4	-173.2	-179.6	0	0	119.9
217	G	35.4	Very low	35	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	76%	0.761	S	S	*	*			trans	121.2	104.9	169.5	0	0	0	0	0	113.2
218	D	35.4	Very low	34.9	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	76%	0.762	S	S	*	*			cis	101.9	156.2	28.5	-161.9	29.9	0	0	0	113.8
219	T	37.1	Very low	34.7	Very low	122 Å²	122	133.9 Å²	133.9	75%	0.748	75%	0.752	S	S	*	*			trans	75.5	149.7	-172	74.8	0	0	0	0	116.9
220	S	38.4	Very low	34.5	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	75%	0.749	S	S	*	*			cis	-173	148.4	-32.7	55.4	0	0	0	0	110.6
221	A	36.6	Very low	34.5	Very low	89 Å²	89	134.6 Å²	134.6	74%	0.736	74%	0.744	S	S	*	*			trans	65.6	130.3	162.8	0	0	0	0	0	115.5
222	S	38.3	Very low	34.3	Very low	93 Å²	93	137 Å²	137	65%	0.65	74%	0.744	S	S	*	*				115	140.6	56.2	60.3	0	0	0	0	108.2
223	D	36.8	Very low	34.1	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	74%	0.741	S	S	*	*			cis	-162.4	175.6	-9.4	-97.1	-26	0	0	0	109
224	E	35.1	Very low	33.6	Very low	155 Å²	155	138.4 Å²	138.4	72%	0.724	74%	0.741	S	S	*	*			trans	59.6	103.6	165.9	-54.7	-46	76	0	0	122.3
225	E	31.8	Very low	33.2	Very low	168 Å²	168	140 Å²	140	79%	0.785	74%	0.742	S	S	*	*				66.2	120.6	123	-60.6	-131.6	122.8	0	0	123.5
226	S	30.3	Very low	32.8	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	74%	0.736	S	S	*	*				63.8	122.9	124.6	-154.2	0	0	0	0	120.8
227	M	29.9	Very low	32.3	Very low	176 Å²	176	138.7 Å²	138.7	87%	0.867	72%	0.724	S	S	*	*			cis	-155.1	101.8	-7.1	-122.5	-169.2	-175.9	0	0	109.3
228	N	31.3	Very low	32.1	Very low	158 Å²	158	142.2 Å²	142.2	85%	0.845	72%	0.721	S	S	*	*			trans	-68.5	129.9	174.3	-85.4	-7.3	0	0	0	110.4
229	S	28.9	Very low	31.9	Very low	70 Å²	70	140.4 Å²	140.4	49%	0.49	71%	0.707	S	S	.	*				78.5	128.7	52.6	90.7	0	0	0	0	114.4
230	E	27.2	Very low	31.7	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	70%	0.703	S	S	*	*			trans	15.9	129.1	139.1	-40.3	173.3	111.6	0	0	119.4
231	K	32	Very low	31.4	Very low	171 Å²	171	141.6 Å²	141.6	74%	0.743	70%	0.701	S	S	*	*				-175.6	134.6	98.6	-92.2	138.7	-163.5	154.4	0	109.8
232	H	29.1	Very low	31.1	Very low	146 Å²	146	145.9 Å²	145.9	68%	0.676	70%	0.704	S	S	*	*			cis	101.6	143.7	42.3	-164	48.8	0	0	0	111.1
233	L	29.7	Very low	30.9	Very low	128 Å²	128	148.2 Å²	148.2	67%	0.67	71%	0.709	S	S	*	*			trans	76.7	122.8	179.1	-53.6	129.8	0	0	0	115.2
234	R	26.8	Very low	30.5	Very low	207 Å²	207	149.3 Å²	149.3	78%	0.781	71%	0.709	S	S	*	*			cis	84.5	116.4	36.9	-69.1	173.8	155.5	-177.7	-5.5	114.3
235	R	28.7	Very low	30.2	Very low	205 Å²	205	148.8 Å²	148.8	77%	0.774	71%	0.711	S	S	*	*				167.1	137.3	108.2	-94.9	-175	151.7	138.2	-1.7	115.4
236	H	30.8	Very low	30.1	Very low	136 Å²	136	146.1 Å²	146.1	63%	0.63	71%	0.708	S	S	*	*			trans	55.3	123.7	144.8	-58.9	-46.4	0	0	0	120.3
237	R	28	Very low	30	Very low	161 Å²	161	148.9 Å²	148.9	61%	0.608	71%	0.714	S	S	*	*				70	122.5	67.8	-95.6	-167.2	171	167.4	2.1	114.6	E239	R237-E239 IonicContact CZ-OE2 3.38Å; R237-E239 IonicContact NE-OE2 2.82Å; R237-E239 PolarHBondContact NE-OE2 3.3Å; R237-E239 IonicContact NH2-OE2 3.44Å; R237-E239 PolarHBondContact NH2-OE2 3.38Å
238	H	32.8	Very low	30.1	Very low	148 Å²	148	146.6 Å²	146.6	69%	0.685	71%	0.712	S	S	*	*				-146.7	153.2	89	-134.2	-90.5	0	0	0	112.7	D240	H238-D240 IonicContact CE1-OD2 3.66Å; H238-D240 IonicContact ND1-OD1 3.76Å; H238-D240 IonicContact ND1-OD2 3.3Å; H238-D240 PolarHBondContact ND1-OD2 2.87Å
239	E	29.9	Very low	29.9	Very low	113 Å²	113	147.8 Å²	147.8	53%	0.528	71%	0.71	S	S	.	*			trans	-83.6	176.1	167.5	-66.2	138.8	95.3	0	0	109.1	R237	R237-E239 IonicContact CZ-OE2 3.38Å; R237-E239 IonicContact NE-OE2 2.82Å; R237-E239 PolarHBondContact NE-OE2 3.3Å; R237-E239 IonicContact NH2-OE2 3.44Å; R237-E239 PolarHBondContact NH2-OE2 3.38Å
240	D	32.9	Very low	30.1	Very low	123 Å²	123	151.2 Å²	151.2	66%	0.658	72%	0.722	S	S	*	*				170.6	137.2	115.6	-73.3	-22.8	0	0	0	112.7	H238	H238-D240 IonicContact CE1-OD2 3.66Å; H238-D240 IonicContact ND1-OD1 3.76Å; H238-D240 IonicContact ND1-OD2 3.3Å; H238-D240 PolarHBondContact ND1-OD2 2.87Å
241	D	33.1	Very low	30.2	Very low	127 Å²	127	149.9 Å²	149.9	68%	0.679	72%	0.716	S	S	*	*			trans	59.2	112.9	151	-69.6	10.9	0	0	0	121.9
242	F	30	Very low	30.1	Very low	179 Å²	179	151.5 Å²	151.5	79%	0.785	72%	0.718	S	S	*	*				86.1	151.5	85.1	-80.6	-147.1	0	0	0	112.5
243	D	33.8	Very low	30.2	Very low	141 Å²	141	153.4 Å²	153.4	75%	0.754	72%	0.724	S	S	*	*			cis	-146.4	179.3	14.5	-143.2	-29.4	0	0	0	113.4
244	E	28.8	Very low	30.1	Very low	168 Å²	168	152.9 Å²	152.9	79%	0.785	73%	0.727	S	S	*	*			trans	-95	-163.8	-174.8	-150.5	-171.3	148.7	0	0	114
245	L	28.7	Very low	30.2	Very low	145 Å²	145	149 Å²	149	76%	0.759	73%	0.726	S	S	*	*			trans	101.4	148.1	158.5	-56.6	-177.5	0	0	0	119.5
246	P	30.1	Very low	30.2	Very low	112 Å²	112	145.3 Å²	145.3	73%	0.727	73%	0.727	S	S	*	*				-136.9	-176.9	-129.9	45.1	-28.8	0	0	0	118.9
247	L	27.4	Very low	30.3	Very low	158 Å²	158	145.8 Å²	145.8	83%	0.827	74%	0.739	S	S	*	*			trans	-27.7	147.6	171.5	-56	170.6	0	0	0	118.2
248	P	31.3	Very low	30.3	Very low	127 Å²	127	142.5 Å²	142.5	83%	0.825	75%	0.746	S	S	*	*				-129.2	177	119.2	38.1	-31.4	0	0	0	114.4
249	K	28.5	Very low	30.3	Very low	184 Å²	184	139 Å²	139	80%	0.8	74%	0.742	S	S	*	*			trans	-110.1	146.4	-175.2	-51.4	161.6	-174.1	168.5	0	110.4
250	N	31.8	Very low	30.8	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	74%	0.74	S	S	*	*				178.2	142.8	112.5	-95.3	-4.7	0	0	0	116.1
251	E	31	Very low	30.7	Very low	128 Å²	128	138.6 Å²	138.6	60%	0.598	74%	0.742	S	S	*	*			trans	50.5	121.6	142.8	-58.8	-154.1	99	0	0	124.1
252	R	28.8	Very low	31.1	Very low	204 Å²	204	136.5 Å²	136.5	77%	0.77	74%	0.737	S	S	*	*				59.2	118.8	129.5	-67.6	170.2	165.3	160.2	-11.8	117.4
253	K	31.6	Very low	31.7	Very low	186 Å²	186	132.7 Å²	132.7	81%	0.809	72%	0.722	S	S	*	*				-171.9	151.7	53.5	-116.6	158.8	-177.8	178.1	0	111.7
254	T	26.7	Very low	32.1	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	71%	0.709	S	S	*	*			trans	23.3	121.8	148.5	58.6	0	0	0	0	119
255	T	29.6	Very low	32.7	Very low	126 Å²	126	127.6 Å²	127.6	77%	0.773	70%	0.697	S	S	*	*				-167.3	153.5	67	31.6	0	0	0	0	114.2
256	T	29.6	Very low	33.5	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	69%	0.686	S	S	*	*			trans	12.1	128.3	154.8	56.6	0	0	0	0	121.9
257	V	31.2	Very low	34.1	Very low	146 Å²	146	126.7 Å²	126.7	89%	0.885	68%	0.682	S	S	*	*				-167.3	162.4	114.2	140.6	0	0	0	0	109.5
258	A	29.7	Very low	34.6	Very low	91 Å²	91	124.9 Å²	124.9	75%	0.752	67%	0.671	S	S	*	*			trans	-70.2	128.9	-165.8	0	0	0	0	0	115.5
259	A	32.5	Very low	34.9	Very low	75 Å²	75	126.5 Å²	126.5	62%	0.62	67%	0.667	S	S	*	*			trans	-77.4	155.7	163.7	0	0	0	0	0	111.7
260	T	39.9	Very low	35.6	Very low	77 Å²	77	125.3 Å²	125.3	47%	0.472	66%	0.664	S	S	.	*			trans	-109.3	166	-168.6	69.2	0	0	0	0	113.5	S262 E263	T260-S262 PolarHBondContact O-N 3.34Å; T260-E263 WeakPolarHBondContact CA-OE2 3.46Å; T260-E263 WeakPolarHBondContact CB-OE2 3.25Å; T260-E263 PolarHBondContact N-OE2 3.28Å; T260-E263 PolarHBondContact O-N 3.08Å; T260-E263 VanDerWaalsContact O-N 3.08Å; T260-E263 PolarHBondContact OG1-OE2 3.39Å
261	H	31	Very low	35.7	Very low	150 Å²	150	125.2 Å²	125.2	69%	0.694	66%	0.663	S	S	*	*	H	α-helix	trans	-59.8	-17.4	179.5	-168.2	-53.6	0	0	0	113.6	M265	H261-M265 WeakPolarHBondContact O-CG 3.44Å
262	S	40.7	Very low	35.8	Very low	83 Å²	83	128.2 Å²	128.2	58%	0.58	67%	0.674	S	S	*	*	H	α-helix	trans	-74.6	-38.3	173.9	-65.5	0	0	0	0	112.8	T260 M265 N266	T260-S262 PolarHBondContact O-N 3.34Å; S262-M265 PolarHBondContact O-N 2.97Å; S262-N266 PolarHBondContact O-N 2.97Å
263	E	44.2	Very low	36.2	Very low	100 Å²	100	124.2 Å²	124.2	47%	0.467	67%	0.672	S	S	.	*	H	α-helix	trans	-70.5	-37.6	-175.9	-70.7	147.7	112.7	0	0	111.3	T260 M265 N266 E267	T260-E263 WeakPolarHBondContact CA-OE2 3.46Å; T260-E263 WeakPolarHBondContact CB-OE2 3.25Å; T260-E263 PolarHBondContact N-OE2 3.28Å; T260-E263 PolarHBondContact O-N 3.08Å; T260-E263 VanDerWaalsContact O-N 3.08Å; T260-E263 PolarHBondContact OG1-OE2 3.39Å; E263-M265 PolarHBondContact O-N 3.45Å; E263-N266 PolarHBondContact O-N 3.49Å; E263-E267 PolarHBondContact O-N 2.87Å
264	I	41	Very low	36.4	Very low	95 Å²	95	127.6 Å²	127.6	49%	0.487	68%	0.68	S	S	.	*	H	α-helix	trans	-60.6	-31.1	173.6	-64.1	171.8	0	0	0	111.9	M268	I264-M268 HydrophobicContact CG2-CE 4.14Å; I264-M268 WeakPolarHBondContact O-CB 3.33Å; I264-M268 PolarHBondContact O-N 3.12Å
265	M	41.1	Very low	36.5	Very low	107 Å²	107	126 Å²	126	53%	0.527	69%	0.687	S	S	.	*	H	α-helix	trans	-76.1	-41.4	176.2	-61.8	-69.2	-69.5	0	0	111.2	H261 S262 E263 M268 E269	H261-M265 WeakPolarHBondContact O-CG 3.44Å; S262-M265 PolarHBondContact O-N 2.97Å; E263-M265 PolarHBondContact O-N 3.45Å; M265-M268 PolarHBondContact O-N 3.2Å; M265-E269 PolarHBondContact O-N 2.91Å
266	N	46.1	Very low	36.7	Very low	101 Å²	101	123.9 Å²	123.9	54%	0.54	69%	0.69	S	S	.	*	H	α-helix	trans	-66.3	-37.1	177.2	-74.8	6.2	0	0	0	112.8	S262 E263 M268 H270	S262-N266 PolarHBondContact O-N 2.97Å; E263-N266 PolarHBondContact O-N 3.49Å; N266-M268 VanDerWaalsContact C-N 3.31Å; N266-H270 PolarHBondContact O-N 3.06Å
267	E	42.2	Very low	36.8	Very low	136 Å²	136	127.6 Å²	127.6	64%	0.636	70%	0.696	S	S	*	*	H	α-helix	trans	-65.4	-35.6	171.6	-76.4	-161.8	119.7	0	0	111.9	E263 E269 H270 L271	E263-E267 PolarHBondContact O-N 2.87Å; E267-E269 PolarHBondContact O-N 3.34Å; E267-H270 PolarHBondContact O-N 3.09Å; E267-H270 VanDerWaalsContact O-N 3.13Å; E267-L271 WeakPolarHBondContact O-CG 3.35Å; E267-L271 PolarHBondContact O-N 2.84Å
268	M	37.3	Very low	37	Very low	120 Å²	120	129.5 Å²	129.5	59%	0.591	69%	0.692	S	S	*	*	H	α-helix	trans	-71.6	-27.6	-177.9	-150.2	166	-62.2	0	0	113.2	I264 M265 N266	I264-M268 HydrophobicContact CG2-CE 4.14Å; I264-M268 WeakPolarHBondContact O-CB 3.33Å; I264-M268 PolarHBondContact O-N 3.12Å; M265-M268 PolarHBondContact O-N 3.2Å; N266-M268 VanDerWaalsContact C-N 3.31Å
269	E	37.6	Very low	37.2	Very low	161 Å²	161	131 Å²	131	75%	0.752	69%	0.688	S	S	*	*	H	α-helix	trans	-74.2	-25.9	168.9	-72.3	-168.2	136.7	0	0	113	M265 E267	M265-E269 PolarHBondContact O-N 2.91Å; E267-E269 PolarHBondContact O-N 3.34Å
270	H	43.2	Very low	37.2	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.736	70%	0.697	S	S	*	*	H	α-helix	trans	-88.6	-10.5	-177.3	-92.1	-66.1	0	0	0	115.8	N266 E267	N266-H270 PolarHBondContact O-N 3.06Å; E267-H270 PolarHBondContact O-N 3.09Å; E267-H270 VanDerWaalsContact O-N 3.13Å
271	L	34.6	Very low	36.8	Very low	140 Å²	140	134.4 Å²	134.4	73%	0.733	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-0.1	-173.4	-77.5	168	0	0	0	116.1	E267	E267-L271 WeakPolarHBondContact O-CG 3.35Å; E267-L271 PolarHBondContact O-N 2.84Å
272	F	34.2	Very low	36.8	Very low	190 Å²	190	133.6 Å²	133.6	83%	0.833	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	1.7	179	-84.9	-80.8	0	0	0	115.7
273	V	35.4	Very low	36.4	Very low	120 Å²	120	137.4 Å²	137.4	73%	0.727	72%	0.723	S	S	*	*	S	Bend	trans	-135.1	73.7	-174.8	-166.8	0	0	0	0	113.7
274	R	35.6	Very low	35.8	Very low	257 Å²	257	141.7 Å²	141.7	97%	0.97	74%	0.74	S	S	*	*			trans	-176.2	135.9	150.7	-107.7	157.4	-179.3	179.7	0.6	114.8
275	G	30.6	Very low	35.3	Very low	85 Å²	85	144 Å²	144	88%	0.876	75%	0.749	S	S	*	*			trans	94.7	133.9	162.8	0	0	0	0	0	115.3
276	G	32	Very low	35	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	76%	0.758	S	S	*	*			cis	-156.1	168.7	1.9	0	0	0	0	0	113.7
277	K	32.8	Very low	34.1	Very low	205 Å²	205	149.9 Å²	149.9	89%	0.891	76%	0.764	S	S	*	*			trans	-93.8	175.7	-170	-64.6	178	176.3	177.4	0	113.8
278	K	35.4	Very low	33.6	Very low	187 Å²	187	152.4 Å²	152.4	81%	0.813	77%	0.768	S	S	*	*			trans	104.6	137.1	164.8	-59.6	176.4	-179.2	178.8	0	113.7
279	N	34.3	Very low	33.3	Very low	123 Å²	123	154.2 Å²	154.2	66%	0.658	78%	0.775	S	S	*	*			cis	-156.6	158.2	-1.9	-114.4	8.8	0	0	0	111.3
280	N	33.1	Very low	32.9	Very low	152 Å²	152	150.5 Å²	150.5	81%	0.813	77%	0.767	S	S	*	*			trans	42.8	137.8	152.7	-50.1	-6.4	0	0	0	119.6
281	G	31	Very low	32.3	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	77%	0.768	S	S	*	*			cis	-172.1	-172.2	1.8	0	0	0	0	0	106.8
282	V	31.4	Very low	32.1	Very low	133 Å²	133	149 Å²	149	81%	0.806	76%	0.763	S	S	*	*			cis	-150.9	168.2	17.1	167.8	0	0	0	0	108.7
283	H	31.1	Very low	31.9	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.755	75%	0.754	S	S	*	*			trans	-36.2	153.6	174.8	-45.2	-64.1	0	0	0	116.3
284	K	32.5	Very low	31.6	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	76%	0.756	S	S	*	*			cis	-152.6	167.9	43.7	-80.8	176.9	175.9	172.4	0	110.7
285	Q	30.7	Very low	31.3	Very low	144 Å²	144	142.5 Å²	142.5	67%	0.673	75%	0.746	S	S	*	*			cis	159.5	153.3	-15.8	-157.5	176.8	23.7	0	0	105.3
286	Q	33.2	Very low	31.5	Very low	154 Å²	154	143.5 Å²	143.5	72%	0.72	74%	0.737	S	S	*	*			trans	78	138	173.1	-55	-162.1	38.1	0	0	117.9
287	R	28.6	Very low	31.5	Very low	176 Å²	176	144.6 Å²	144.6	66%	0.664	73%	0.732	S	S	*	*			cis	-163.5	144.4	-16	-125.8	-177.6	162.2	172.6	-4.3	111.7
288	R	31.7	Very low	31.3	Very low	189 Å²	189	142.2 Å²	142.2	71%	0.713	73%	0.729	S	S	*	*			trans	64.9	150.3	150	-74.2	171.6	163.8	-175.4	-8.4	119.8
289	Q	30.3	Very low	31	Very low	158 Å²	158	139 Å²	139	74%	0.738	72%	0.724	S	S	*	*			cis	-168	147.8	-34.7	-151.6	89	22.2	0	0	110.2
290	S	30.2	Very low	30.6	Very low	84 Å²	84	136.5 Å²	136.5	59%	0.587	73%	0.728	S	S	*	*			trans	58.4	118.9	139.1	60.8	0	0	0	0	122.7
291	N	29.7	Very low	30.4	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	73%	0.729	S	S	*	*				88.6	150.4	119.6	-70.2	29.9	0	0	0	121.1
292	I	29.5	Very low	30.2	Very low	125 Å²	125	143.1 Å²	143.1	64%	0.641	74%	0.736	S	S	*	*			cis	-170.6	166.6	-26.1	-152.8	97.4	0	0	0	109.5
293	D	30.8	Very low	30.1	Very low	120 Å²	120	148.1 Å²	148.1	64%	0.642	74%	0.741	S	S	*	*			trans	66	103.9	154.5	-54.3	-23.2	0	0	0	124.8
294	E	29.1	Very low	29.9	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.762	74%	0.741	S	S	*	*				73.2	173.1	115	-66.2	-172.1	157.9	0	0	124.7
295	I	28.7	Very low	29.7	Very low	149 Å²	149	144.3 Å²	144.3	76%	0.764	74%	0.735	S	S	*	*			trans	-156.1	-158.9	-155.3	32.9	167.1	0	0	0	108.1
296	P	35.4	Very low	29.6	Very low	105 Å²	105	148.1 Å²	148.1	68%	0.682	74%	0.743	S	S	*	*			cis	-140.9	-140.9	0	45.3	-22.5	0	0	0	115.1
297	S	31.2	Very low	29.5	Very low	105 Å²	105	151.1 Å²	151.1	73%	0.734	75%	0.754	S	S	*	*			trans	79.8	100.4	149.4	52.5	0	0	0	0	124.2
298	D	29.9	Very low	29.4	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	76%	0.758	S	S	*	*				106.6	155.6	109.9	-146.8	19.3	0	0	0	122.7
299	V	28	Very low	29.2	Very low	120 Å²	120	148.3 Å²	148.3	73%	0.727	77%	0.766	S	S	*	*			trans	52	91.9	172.2	-155.1	0	0	0	0	118.7
300	G	25.8	Very low	29.2	Very low	70 Å²	70	148.8 Å²	148.8	72%	0.722	77%	0.768	S	S	*	*			trans	-70.8	171.8	179.4	0	0	0	0	0	117.8
301	K	30.2	Very low	29.1	Very low	196 Å²	196	151.7 Å²	151.7	85%	0.852	78%	0.777	S	S	*	*			trans	-155.5	137.6	161.8	-101.9	157	-173.8	169.9	0	109.9
302	L	26.4	Very low	28.9	Very low	167 Å²	167	150 Å²	150	87%	0.874	78%	0.776	S	S	*	*			trans	45.2	145.7	145.5	-76.5	157.2	0	0	0	123.1
303	R	28.9	Very low	29	Very low	238 Å²	238	151.9 Å²	151.9	90%	0.898	79%	0.787	S	S	*	*			trans	97.1	129.1	142.4	-156.4	169.2	179.4	166.4	-2.1	118.4
304	D	27.4	Very low	28.8	Very low	143 Å²	143	154.8 Å²	154.8	77%	0.765	79%	0.794	S	S	*	*			trans	-64.1	141.8	172.1	-64.2	-102.8	0	0	0	113.3
305	N	29.1	Very low	28.8	Very low	130 Å²	130	153.7 Å²	153.7	70%	0.695	80%	0.798	S	S	*	*				-167	140.3	111	-108.8	-70.2	0	0	0	116.8
306	R	28.5	Very low	28.7	Very low	223 Å²	223	150.8 Å²	150.8	84%	0.842	79%	0.791	S	S	*	*			trans	7.9	109.9	147.6	-57.7	168.2	-171	-168.8	3.1	119.3
307	K	30.8	Very low	28.4	Very low	218 Å²	218	152 Å²	152	95%	0.948	80%	0.799	S	S	*	*			trans	179.4	142.4	130.1	-93	147.5	-174	178	0	108.8
308	G	26.1	Very low	28.4	Very low	74 Å²	74	153 Å²	153	76%	0.763	80%	0.801	S	S	*	*			cis	137	53.6	-9.6	0	0	0	0	0	115.5
309	R	27.3	Very low	28.3	Very low	231 Å²	231	151.9 Å²	151.9	87%	0.872	81%	0.805	S	S	*	*			trans	-152.9	171	174.5	-110.5	175.7	-174.9	-177.9	0.9	112.8
310	H	30.9	Very low	28.4	Very low	169 Å²	169	149.9 Å²	149.9	78%	0.782	81%	0.809	S	S	*	*	S	Bend	trans	70.8	115.3	-177.8	-53.4	-73.1	0	0	0	116.1
311	N	27.5	Very low	28.5	Very low	145 Å²	145	155 Å²	155	78%	0.775	82%	0.816	S	S	*	*	S	Bend	cis	-130	133	-8.6	-92.9	-4.3	0	0	0	110
312	S	26	Very low	28.3	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	81%	0.812	S	S	*	*			trans	-164.3	88.4	174.7	170.3	0	0	0	0	110.5
313	L	30.3	Very low	28.4	Very low	166 Å²	166	148.6 Å²	148.6	87%	0.869	81%	0.81	S	S	*	*			trans	-136.6	123.2	161.7	-62.4	173.3	0	0	0	103.6
314	F	26.7	Very low	28.4	Very low	181 Å²	181	142.5 Å²	142.5	79%	0.794	80%	0.803	S	S	*	*			cis	65.1	80.3	30.6	-101.3	-70.8	0	0	0	113.5
315	V	30.5	Very low	28.6	Very low	139 Å²	139	140.1 Å²	140.1	84%	0.842	80%	0.798	S	S	*	*			trans	-128.7	139.2	154.5	178.4	0	0	0	0	106.3
316	S	26.6	Very low	28.7	Very low	88 Å²	88	140 Å²	140	62%	0.615	80%	0.802	S	S	*	*			trans	-102.2	158.1	177.1	-72	0	0	0	0	110.4
317	P	28.4	Very low	29	Very low	131 Å²	131	134.7 Å²	134.7	85%	0.851	79%	0.791	S	S	*	*			trans	-80.8	134	-152.5	30.5	-35.8	0	0	0	114.1
318	T	30.8	Very low	29.1	Very low	127 Å²	127	130 Å²	130	78%	0.779	78%	0.776	S	S	*	*			trans	-132.6	135.4	161.4	51.9	0	0	0	0	109.3	G320	T318-G320 PolarHBondContact O-N 3.42Å
319	S	29.1	Very low	29.5	Very low	129 Å²	129	129.4 Å²	129.4	90%	0.902	75%	0.752	S	S	*	*			trans	-35.1	123.5	175.5	49.3	0	0	0	0	115.5
320	G	28.4	Very low	29.7	Very low	79 Å²	79	122.3 Å²	122.3	81%	0.814	74%	0.738	S	S	*	*			trans	-169.8	111.5	173.2	0	0	0	0	0	111.1	T318	T318-G320 PolarHBondContact O-N 3.42Å
321	M	27.6	Very low	29.8	Very low	178 Å²	178	122.7 Å²	122.7	88%	0.877	73%	0.733	S	S	*	*			trans	-85	163.1	-180	56.6	-168.1	67.9	0	0	112.5
322	S	26.8	Very low	30.1	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	71%	0.712	S	S	*	*			trans	95	134.2	165.3	-51.6	0	0	0	0	119.3
323	S	28.7	Very low	30.5	Very low	119 Å²	119	117.3 Å²	117.3	83%	0.832	70%	0.698	S	S	*	*			trans	49.3	108	159.5	57.6	0	0	0	0	119.8
324	S	28.1	Very low	30.5	Very low	109 Å²	109	112.5 Å²	112.5	76%	0.762	68%	0.678	S	S	*	*			trans	-94.5	123.2	164.9	52.4	0	0	0	0	112.4
325	S	32	Very low	30.8	Very low	94 Å²	94	107.8 Å²	107.8	66%	0.657	66%	0.659	S	S	*	*			trans	-79.6	169.5	175.8	56.5	0	0	0	0	113.6	D327	S325-D327 VanDerWaalsContact C-N 3.32Å; S325-D327 VanDerWaalsContact CB-OD2 3.31Å; S325-D327 WeakPolarHBondContact CB-OD2 3.32Å; S325-D327 PolarHBondContact O-N 3.44Å; S325-D327 PolarHBondContact OG-OD2 2.97Å
326	T	32.1	Very low	31	Very low	128 Å²	128	102.3 Å²	102.3	79%	0.785	63%	0.626	S	S	*	*	S	Bend	trans	-83.7	11.9	-162.6	42.6	0	0	0	0	116	D328	T326-D328 PolarHBondContact O-N 3.45Å
327	D	34.1	Very low	31.3	Very low	111 Å²	111	99.2 Å²	99.2	59%	0.594	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-70.4	-22.5	-158.2	-64	-78.2	0	0	0	116.9	S325 F329 S330	S325-D327 VanDerWaalsContact C-N 3.32Å; S325-D327 VanDerWaalsContact CB-OD2 3.31Å; S325-D327 WeakPolarHBondContact CB-OD2 3.32Å; S325-D327 PolarHBondContact O-N 3.44Å; S325-D327 PolarHBondContact OG-OD2 2.97Å; D327-F329 VanDerWaalsContact C-N 3.34Å; D327-F329 PolarHBondContact O-N 3.47Å; D327-S330 PolarHBondContact O-OG 3.2Å
328	D	32.6	Very low	31.6	Very low	118 Å²	118	97.7 Å²	97.7	63%	0.631	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-72.8	-21.6	-170.6	-121.2	-12.3	0	0	0	114.2	T326 S330 R331	T326-D328 PolarHBondContact O-N 3.45Å; D328-S330 PolarHBondContact O-N 2.75Å; D328-R331 IonicContact OD1-NH1 3.67Å; D328-R331 PolarHBondContact OD1-NH1 3.42Å
329	F	33.9	Very low	31.9	Very low	63 Å²	63	95.3 Å²	95.3	28%	0.276	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-71.5	-28.5	-177.5	-81.6	-89.4	0	0	0	113.9	D327 R331 I332 K375 Y378	D327-F329 VanDerWaalsContact C-N 3.34Å; D327-F329 PolarHBondContact O-N 3.47Å; F329-R331 PolarHBondContact O-N 3.19Å; F329-R331 VanDerWaalsContact O-N 3.12Å; F329-I332 PolarHBondContact O-N 2.94Å; F329-K375 HydrophobicContact CE1-CG 4.22Å; F329-K375 HydrophobicContact CZ-CG 4.07Å; F329-Y378 AromaticContact CD1-CD2 3.94Å; F329-Y378 HydrophobicContact CD1-CD2 3.94Å; F329-Y378 AromaticContact CD1-CE2 3.94Å; F329-Y378 HydrophobicContact CD1-CE2 3.94Å; F329-Y378 HydrophobicContact CE1-CD2 4.16Å; F329-Y378 HydrophobicContact CE1-CE2 4.39Å; F329-Y378 HydrophobicContact CG-CE2 4.24Å
330	S	31.7	Very low	31.9	Very low	82 Å²	82	93 Å²	93	57%	0.573	55%	0.549	S	S	*	.	H	α-helix	trans	-55.6	-31.7	-177.6	61	0	0	0	0	113.5	D327 D328 S334	D327-S330 PolarHBondContact O-OG 3.2Å; D328-S330 PolarHBondContact O-N 2.75Å; S330-S334 PolarHBondContact O-N 2.93Å
331	R	33.5	Very low	31.8	Very low	177 Å²	177	93.2 Å²	93.2	67%	0.668	54%	0.539	S	S	*	.	H	α-helix	trans	-72.6	-30.8	177.7	-67.3	-177.2	-177.5	140.4	3.2	114	D328 F329 S334	D328-R331 IonicContact OD1-NH1 3.67Å; D328-R331 PolarHBondContact OD1-NH1 3.42Å; F329-R331 PolarHBondContact O-N 3.19Å; F329-R331 VanDerWaalsContact O-N 3.12Å; R331-S334 WeakPolarHBondContact O-CB 3.47Å; R331-S334 PolarHBondContact O-N 3.06Å
332	I	34.8	Very low	31.8	Very low	65 Å²	65	89.8 Å²	89.8	33%	0.333	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-41.2	-178.8	-59.3	176.8	0	0	0	109.4	F329 S334 M335	F329-I332 PolarHBondContact O-N 2.94Å; I332-S334 VanDerWaalsContact C-N 3.28Å; I332-S334 PolarHBondContact O-N 3.5Å; I332-M335 PolarHBondContact O-N 3.34Å
333	T	33.4	Very low	31.9	Very low	71 Å²	71	92.5 Å²	92.5	44%	0.436	53%	0.528	S	S	.	.	H	α-helix	trans	-61.3	-36.2	176.6	-45.3	0	0	0	0	112	M335 T336 S337 K385	T333-M335 PolarHBondContact O-N 2.93Å; T333-T336 PolarHBondContact O-OG1 3.09Å; T333-T336 VanDerWaalsContact O-OG1 3.12Å; T333-S337 PolarHBondContact O-OG 3.19Å; T333-K385 PolarHBondContact O-NZ 3.49Å
334	S	30.8	Very low	31.9	Very low	64 Å²	64	92.3 Å²	92.3	45%	0.448	52%	0.522	S	S	.	.	H	α-helix	trans	-55.3	-43.2	179.7	174.4	0	0	0	0	113.5	S330 R331 I332 T336 S337	S330-S334 PolarHBondContact O-N 2.93Å; R331-S334 WeakPolarHBondContact O-CB 3.47Å; R331-S334 PolarHBondContact O-N 3.06Å; I332-S334 VanDerWaalsContact C-N 3.28Å; I332-S334 PolarHBondContact O-N 3.5Å; S334-T336 PolarHBondContact O-N 3Å; S334-S337 WeakPolarHBondContact CA-OG 3.14Å; S334-S337 WeakPolarHBondContact O-CA 3.47Å; S334-S337 PolarHBondContact O-N 2.57Å; S334-S337 PolarHBondContact O-OG 2.81Å
335	M	32.6	Very low	31.8	Very low	82 Å²	82	92.9 Å²	92.9	40%	0.404	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	0	-169	-61.8	-164.4	69.1	0	0	115.6	I332 T333	I332-M335 PolarHBondContact O-N 3.34Å; T333-M335 PolarHBondContact O-N 2.93Å
336	T	34.2	Very low	31.7	Very low	24 Å²	24	96.4 Å²	96.4	15%	0.147	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	6.9	168.3	51.1	0	0	0	0	112.9	T333 S334 K385 N389	T333-T336 PolarHBondContact O-OG1 3.09Å; T333-T336 VanDerWaalsContact O-OG1 3.12Å; S334-T336 PolarHBondContact O-N 3Å; T336-K385 WeakPolarHBondContact OG1-CD 3.44Å; T336-K385 WeakPolarHBondContact OG1-CE 3.35Å; T336-K385 PolarHBondContact OG1-NZ 3.3Å; T336-K385 VanDerWaalsContact OG1-NZ 3.09Å; T336-N389 PolarHBondContact O-ND2 3.07Å
337	S	33.6	Very low	31.6	Very low	23 Å²	23	96.4 Å²	96.4	16%	0.161	54%	0.537	C	S	.	.			trans	-121.2	15.5	-173.7	15.3	0	0	0	0	114.1	T333 S334 R339 S340 K385	T333-S337 PolarHBondContact O-OG 3.19Å; S334-S337 WeakPolarHBondContact CA-OG 3.14Å; S334-S337 WeakPolarHBondContact O-CA 3.47Å; S334-S337 PolarHBondContact O-N 2.57Å; S334-S337 PolarHBondContact O-OG 2.81Å; S337-R339 PolarHBondContact O-N 3.31Å; S337-S340 WeakPolarHBondContact CB-OG 3.32Å; S337-S340 PolarHBondContact O-N 3.21Å; S337-S340 PolarHBondContact O-OG 2.71Å; S337-K385 PolarHBondContact OG-NZ 2.58Å
338	D	33.7	Very low	31.3	Very low	100 Å²	100	95 Å²	95	54%	0.535	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	11.5	169.5	-81.4	3.7	0	0	0	113.7	R514	D338-R514 PolarHBondContact O-NH2 3.06Å
339	R	38.3	Very low	31	Very low	77 Å²	77	92.6 Å²	92.6	29%	0.291	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.7	-3.9	168	-67.2	-149.8	65.5	-179.3	-6.5	114.1	S337 E396	S337-R339 PolarHBondContact O-N 3.31Å; R339-E396 IonicContact CZ-OE1 3.66Å; R339-E396 IonicContact CZ-OE2 2.66Å; R339-E396 IonicContact NH1-OE1 3.36Å; R339-E396 IonicContact NH1-OE2 3.72Å; R339-E396 PolarHBondContact NH1-OE2 2.84Å; R339-E396 IonicContact NH2-OE1 3.48Å; R339-E396 PolarHBondContact NH2-OE1 2.91Å; R339-E396 IonicContact NH2-OE2 3.91Å; R339-E396 PolarHBondContact NH2-OE2 2.66Å
340	S	29.8	Very low	30.7	Very low	79 Å²	79	98.5 Å²	98.5	55%	0.552	58%	0.58	S	S	*	*	S	Bend	trans	-122.7	17.6	-174.6	72.2	0	0	0	0	113.9	S337	S337-S340 WeakPolarHBondContact CB-OG 3.32Å; S337-S340 PolarHBondContact O-N 3.21Å; S337-S340 PolarHBondContact O-OG 2.71Å
341	S	26	Very low	30.5	Very low	84 Å²	84	102.9 Å²	102.9	59%	0.587	60%	0.597	S	S	*	*			trans	-80.9	150.9	157.8	52.7	0	0	0	0	109.8
342	I	27.9	Very low	30.4	Very low	107 Å²	107	98.6 Å²	98.6	55%	0.549	59%	0.594	S	S	.	*			trans	70.4	54.6	-173	-35.5	168.5	0	0	0	113.5	K513	I342-K513 HydrophobicContact CB-CD 4.09Å; I342-K513 HydrophobicContact CD1-CB 4.34Å; I342-K513 HydrophobicContact CD1-CD 4.28Å; I342-K513 HydrophobicContact CG2-CD 4.25Å; I342-K513 PolarHBondContact O-NZ 3.41Å
343	L	27.4	Very low	30.2	Very low	165 Å²	165	102.3 Å²	102.3	86%	0.864	62%	0.62	S	S	*	*	S	Bend		-79.3	155.9	121.2	-88.1	163.1	0	0	0	108.6	S345	L343-S345 PolarHBondContact O-N 3.27Å
344	T	28.7	Very low	30	Very low	115 Å²	115	106.1 Å²	106.1	71%	0.706	64%	0.638	S	S	*	*			trans	-61.6	127.8	-161.1	39.7	0	0	0	0	115.2	H346	T344-H346 PolarHBondContact O-N 3.08Å; T344-H346 VanDerWaalsContact O-N 3.15Å
345	S	25.9	Very low	30.2	Very low	122 Å²	122	107.2 Å²	107.2	85%	0.853	66%	0.659	S	S	*	*			trans	-78.1	86.8	161.8	55.7	0	0	0	0	110.6	L343	L343-S345 PolarHBondContact O-N 3.27Å
346	H	31.6	Very low	30.4	Very low	168 Å²	168	107.3 Å²	107.3	78%	0.778	67%	0.673	S	S	*	*			trans	-109.2	130.8	161.2	-85.1	-73.1	0	0	0	109.6	T344	T344-H346 PolarHBondContact O-N 3.08Å; T344-H346 VanDerWaalsContact O-N 3.15Å
347	S	29.8	Very low	31.2	Very low	127 Å²	127	110.6 Å²	110.6	89%	0.888	70%	0.697	S	S	*	*			trans	-88.7	116.4	-171.4	52.1	0	0	0	0	112.1
348	G	27.1	Very low	32.3	Very low	81 Å²	81	115.3 Å²	115.3	84%	0.835	73%	0.727	S	S	*	*			trans	156.7	95.4	163.5	0	0	0	0	0	115.8
349	G	26.1	Very low	33.9	Very low	68 Å²	68	112.1 Å²	112.1	70%	0.701	71%	0.711	S	S	*	*			trans	108.9	120.8	157.9	0	0	0	0	0	116.9
350	E	28.8	Very low	35.5	Very low	188 Å²	188	111 Å²	111	88%	0.879	71%	0.714	S	S	*	*			trans	68.1	131	142.9	-61.5	171.8	-167.1	0	0	119.7	S352	E350-S352 PolarHBondContact O-N 3.19Å; E350-S352 PolarHBondContact O-OG 3.05Å
351	D	26.6	Very low	37.7	Very low	174 Å²	174	112.6 Å²	112.6	93%	0.93	72%	0.716	S	S	*	*			trans	-57.3	125.7	-173.2	-79.4	-61	0	0	0	113.9
352	S	31.8	Very low	40.2	Very low	86 Å²	86	108.7 Å²	108.7	60%	0.601	69%	0.689	S	S	*	*			trans	-151.6	92.7	175	33.2	0	0	0	0	111.1	E350 D354	E350-S352 PolarHBondContact O-N 3.19Å; E350-S352 PolarHBondContact O-OG 3.05Å; S352-D354 VanDerWaalsContact C-N 3.27Å; S352-D354 PolarHBondContact O-N 3.42Å
353	T	30.1	Very low	42.5	Very low	143 Å²	143	111.6 Å²	111.6	88%	0.877	70%	0.7	S	S	*	*			trans	-81.6	69.9	175.4	53	0	0	0	0	111.2
354	D	30.3	Very low	44.8	Very low	151 Å²	151	106.6 Å²	106.6	81%	0.807	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	138.8	-171.9	-78.5	-20.3	0	0	0	114.6	S352	S352-D354 VanDerWaalsContact C-N 3.27Å; S352-D354 PolarHBondContact O-N 3.42Å
355	G	33.7	Very low	47	Very low	87 Å²	87	105.1 Å²	105.1	90%	0.897	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.3	-3.2	157.1	0	0	0	0	0	117.5
356	A	38.1	Very low	49.7	Very low	84 Å²	84	103 Å²	103	69%	0.694	66%	0.663	S	S	*	*	S	Bend	trans	-117	132.1	168.6	0	0	0	0	0	110
357	S	49.1	Very low	52	Low	93 Å²	93	102.1 Å²	102.1	65%	0.65	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-56.9	138.9	164.2	-62.4	0	0	0	0	108.9	V359	S357-V359 PolarHBondContact O-N 3.18Å; S357-V359 VanDerWaalsContact O-N 3.1Å
358	P	58.1	Low	54.6	Low	122 Å²	122	103.9 Å²	103.9	79%	0.792	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.5	121.2	170.8	-24.5	34.2	0	0	0	109	P360	P358-P360 WeakPolarHBondContact O-CD 3.44Å
359	V	67.5	Low	57.4	Low	33 Å²	33	102 Å²	102	20%	0.2	62%	0.622	C	S	.	*	P	Polyproline II helix	trans	-65.7	123.8	178.1	-175.8	0	0	0	0	107	S357 D361 Y362 K374 H377 Y378	S357-V359 PolarHBondContact O-N 3.18Å; S357-V359 VanDerWaalsContact O-N 3.1Å; V359-D361 PolarHBondContact O-N 3.18Å; V359-Y362 HydrophobicContact CG1-CE2 4.43Å; V359-K374 HydrophobicContact CG1-CB 4.31Å; V359-K374 HydrophobicContact CG1-CG 3.86Å; V359-H377 HydrophobicContact CG1-CB 4.12Å; V359-Y378 HydrophobicContact CG2-CE1 3.75Å
360	P	71.8	Confident	60.2	Low	54 Å²	54	99.9 Å²	99.9	35%	0.351	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-56.2	138.7	-178.3	-26.1	34.6	0	0	0	111.8	P358 Y362 K374	P358-P360 WeakPolarHBondContact O-CD 3.44Å; P360-Y362 HydrophobicContact CB-CD1 4.47Å; P360-Y362 HydrophobicContact CB-CE1 4.02Å; P360-Y362 HydrophobicContact CB-CE2 4.32Å; P360-Y362 HydrophobicContact CG-CE1 4.42Å; P360-Y362 WeakPolarHBondContact O-CD2 3.27Å; P360-Y362 VanDerWaalsContact O-CE2 3.24Å; P360-Y362 WeakPolarHBondContact O-CE2 3.49Å; P360-K374 WeakPolarHBondContact O-CE 3.42Å
361	D	75.1	Confident	63	Low	112 Å²	112	95.3 Å²	95.3	60%	0.599	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-71.1	126.2	155.4	-73	-52.6	0	0	0	107.2	V359 E363 K374	V359-D361 PolarHBondContact O-N 3.18Å; D361-E363 HydrophobicContact CB-CG 4.45Å; D361-K374 WeakPolarHBondContact OD1-CE 3.36Å; D361-K374 IonicContact OD1-NZ 3.16Å; D361-K374 PolarHBondContact OD1-NZ 3.35Å
362	Y	79.3	Confident	66.1	Low	3 Å²	3	89.2 Å²	89.2	1%	0.012	54%	0.537	C	S	.	.			trans	-93.8	-13.6	-169.6	-73	-75.3	0	0	0	112.5	V359 P360 T364 D370 L373 K374 D456 S457 R458	V359-Y362 HydrophobicContact CG1-CE2 4.43Å; P360-Y362 HydrophobicContact CB-CD1 4.47Å; P360-Y362 HydrophobicContact CB-CE1 4.02Å; P360-Y362 HydrophobicContact CB-CE2 4.32Å; P360-Y362 HydrophobicContact CG-CE1 4.42Å; P360-Y362 WeakPolarHBondContact O-CD2 3.27Å; P360-Y362 VanDerWaalsContact O-CE2 3.24Å; P360-Y362 WeakPolarHBondContact O-CE2 3.49Å; Y362-T364 PolarHBondContact O-N 3.33Å; Y362-D370 PolarHBondContact N-OD2 2.85Å; Y362-L373 HydrophobicContact CD1-CB 4.23Å; Y362-L373 HydrophobicContact CD1-CD1 4.04Å; Y362-L373 HydrophobicContact CD2-CB 3.42Å; Y362-L373 VanDerWaalsContact CD2-CB 3.42Å; Y362-L373 HydrophobicContact CD2-CD1 4.3Å; Y362-L373 HydrophobicContact CE1-CB 4.49Å; Y362-L373 HydrophobicContact CE2-CB 3.73Å; Y362-L373 HydrophobicContact CG-CB 3.71Å; Y362-L373 HydrophobicContact CG-CD1 3.71Å; Y362-L373 HydrophobicContact CG-CG 4.34Å; Y362-K374 HydrophobicContact CD2-CG 4.01Å; Y362-K374 HydrophobicContact CE2-CG 4Å; Y362-D456 WeakPolarHBondContact CE1-OD1 3.33Å; Y362-S457 PolarHBondContact OH-OG 3.23Å; Y362-S457 VanDerWaalsContact OH-OG 3.13Å; Y362-R458 HydrophobicContact CD1-CG 4.23Å; Y362-R458 PolarHBondContact O-NH2 3.18Å
363	E	75.3	Confident	68.9	Low	168 Å²	168	85.2 Å²	85.2	79%	0.785	51%	0.509	S	S	*	.			trans	50.3	33.6	168.9	-60.6	-172.4	162.7	0	0	113.1	D361 G365 D370	D361-E363 HydrophobicContact CB-CG 4.45Å; E363-G365 PolarHBondContact O-N 2.94Å; E363-D370 PolarHBondContact N-OD1 2.87Å; E363-D370 PolarHBondContact N-OD2 3.48Å; E363-D370 VanDerWaalsContact N-OD2 3.07Å
364	T	75.8	Confident	71.7	Confident	60 Å²	60	81.1 Å²	81.1	37%	0.368	48%	0.478	S	S	.	.			trans	-69.8	-17.1	-175	56.8	0	0	0	0	113.9	Y362 D366 D370 L373	Y362-T364 PolarHBondContact O-N 3.33Å; T364-D366 VanDerWaalsContact C-N 3.34Å; T364-D366 PolarHBondContact OG1-N 2.85Å; T364-D366 PolarHBondContact OG1-O 3.13Å; T364-D370 WeakPolarHBondContact CB-OD1 3.31Å; T364-D370 WeakPolarHBondContact CG2-OD1 3.37Å; T364-D370 PolarHBondContact N-OD1 3.4Å; T364-D370 PolarHBondContact OG1-OD1 3.12Å; T364-L373 HydrophobicContact CG2-CD1 3.56Å
365	G	74.2	Confident	74.5	Confident	83 Å²	83	76.8 Å²	76.8	86%	0.856	45%	0.453	S	S	*	.	S	Bend	trans	88.4	-10.4	-171.5	0	0	0	0	0	114.6	E363	E363-G365 PolarHBondContact O-N 2.94Å
366	D	82.9	Confident	77.3	Confident	77 Å²	77	72.7 Å²	72.7	41%	0.412	41%	0.41	S	S	.	.			trans	-117.3	117.6	168.8	-175.7	1.3	0	0	0	110.5	T364 K368 D369 D370	T364-D366 VanDerWaalsContact C-N 3.34Å; T364-D366 PolarHBondContact OG1-N 2.85Å; T364-D366 PolarHBondContact OG1-O 3.13Å; D366-K368 PolarHBondContact O-N 3.3Å; D366-K368 VanDerWaalsContact O-N 3.11Å; D366-K368 WeakPolarHBondContact OD1-CB 3.24Å; D366-K368 WeakPolarHBondContact OD1-CG 3.45Å; D366-K368 PolarHBondContact OD1-N 3.47Å; D366-D369 HydrophobicContact CB-CB 4.34Å; D366-D369 PolarHBondContact O-N 3.18Å; D366-D370 PolarHBondContact O-N 2.95Å
367	E	81.5	Confident	79.8	Confident	151 Å²	151	69.5 Å²	69.5	71%	0.706	38%	0.381	S	S	*	.	H	α-helix	trans	-52.8	-32	174.9	-172.9	-176.6	-174.5	0	0	112.4	Q371	E367-Q371 VanDerWaalsContact O-CB 3.3Å; E367-Q371 WeakPolarHBondContact O-CB 3.29Å; E367-Q371 PolarHBondContact O-N 3.23Å
368	K	84	Confident	81.7	Confident	164 Å²	164	69 Å²	69	71%	0.713	37%	0.365	S	S	*	.	H	α-helix	trans	-70.5	-40.9	178.1	-60.9	169	-173.5	161.5	0	112.1	D366 Q371 R372	D366-K368 PolarHBondContact O-N 3.3Å; D366-K368 VanDerWaalsContact O-N 3.11Å; D366-K368 WeakPolarHBondContact OD1-CB 3.24Å; D366-K368 WeakPolarHBondContact OD1-CG 3.45Å; D366-K368 PolarHBondContact OD1-N 3.47Å; K368-Q371 PolarHBondContact O-N 2.98Å; K368-R372 PolarHBondContact O-N 2.95Å
369	D	86.1	Confident	83.2	Confident	42 Å²	42	63.3 Å²	63.3	23%	0.225	33%	0.328	C	S	.	.	H	α-helix	trans	-75.3	-40.9	-179.1	-153.9	65.2	0	0	0	111	D366 Q371 R372 L373	D366-D369 HydrophobicContact CB-CB 4.34Å; D366-D369 PolarHBondContact O-N 3.18Å; D369-Q371 VanDerWaalsContact C-N 3.26Å; D369-Q371 PolarHBondContact O-N 2.97Å; D369-R372 CarbonylContact O-C 3.51Å; D369-R372 WeakPolarHBondContact O-CA 3.24Å; D369-R372 WeakPolarHBondContact O-CB 3.47Å; D369-R372 PolarHBondContact O-N 2.95Å; D369-R372 IonicContact OD1-CZ 2.8Å; D369-R372 IonicContact OD1-NE 2.77Å; D369-R372 PolarHBondContact OD1-NE 3.39Å; D369-R372 IonicContact OD1-NH2 3.75Å; D369-R372 PolarHBondContact OD1-NH2 3.15Å; D369-R372 IonicContact OD2-CZ 2.87Å; D369-R372 IonicContact OD2-NH2 3.96Å; D369-R372 PolarHBondContact OD2-NH2 3.15Å; D369-L373 WeakPolarHBondContact O-CB 3.39Å; D369-L373 VanDerWaalsContact O-CG 3.29Å; D369-L373 WeakPolarHBondContact O-CG 3.46Å; D369-L373 PolarHBondContact O-N 2.95Å; D369-L373 WeakPolarHBondContact OD2-CD1 3.35Å
370	D	85	Confident	84.3	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-53.8	-43.6	167.9	-97	47.7	0	0	0	111.5	Y362 E363 T364 D366 L373 K374	Y362-D370 PolarHBondContact N-OD2 2.85Å; E363-D370 PolarHBondContact N-OD1 2.87Å; E363-D370 PolarHBondContact N-OD2 3.48Å; E363-D370 VanDerWaalsContact N-OD2 3.07Å; T364-D370 WeakPolarHBondContact CB-OD1 3.31Å; T364-D370 WeakPolarHBondContact CG2-OD1 3.37Å; T364-D370 PolarHBondContact N-OD1 3.4Å; T364-D370 PolarHBondContact OG1-OD1 3.12Å; D366-D370 PolarHBondContact O-N 2.95Å; D370-L373 PolarHBondContact O-N 3.4Å; D370-K374 WeakPolarHBondContact O-CB 3.33Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.45Å; D370-K374 PolarHBondContact O-N 2.97Å
371	Q	86.4	Confident	85.2	Confident	92 Å²	92	61.8 Å²	61.8	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-69.3	-32.7	176.1	-160.3	-172.5	99.9	0	0	112.8	E367 K368 D369 K375	E367-Q371 VanDerWaalsContact O-CB 3.3Å; E367-Q371 WeakPolarHBondContact O-CB 3.29Å; E367-Q371 PolarHBondContact O-N 3.23Å; K368-Q371 PolarHBondContact O-N 2.98Å; D369-Q371 VanDerWaalsContact C-N 3.26Å; D369-Q371 PolarHBondContact O-N 2.97Å; Q371-K375 WeakPolarHBondContact O-CD 3.13Å; Q371-K375 VanDerWaalsContact O-CG 3.26Å; Q371-K375 WeakPolarHBondContact O-CG 3.36Å; Q371-K375 PolarHBondContact O-N 3.03Å
372	R	92	Very high	85.9	Confident	45 Å²	45	57.6 Å²	57.6	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-47.2	172.8	-176.3	-170.9	61.6	73.6	5.1	111.1	K368 D369 K374 K375 L376 Y544	K368-R372 PolarHBondContact O-N 2.95Å; D369-R372 CarbonylContact O-C 3.51Å; D369-R372 WeakPolarHBondContact O-CA 3.24Å; D369-R372 WeakPolarHBondContact O-CB 3.47Å; D369-R372 PolarHBondContact O-N 2.95Å; D369-R372 IonicContact OD1-CZ 2.8Å; D369-R372 IonicContact OD1-NE 2.77Å; D369-R372 PolarHBondContact OD1-NE 3.39Å; D369-R372 IonicContact OD1-NH2 3.75Å; D369-R372 PolarHBondContact OD1-NH2 3.15Å; D369-R372 IonicContact OD2-CZ 2.87Å; D369-R372 IonicContact OD2-NH2 3.96Å; D369-R372 PolarHBondContact OD2-NH2 3.15Å; R372-K374 VanDerWaalsContact C-N 3.33Å; R372-K374 PolarHBondContact O-N 2.84Å; R372-K375 WeakPolarHBondContact O-CB 3.39Å; R372-K375 PolarHBondContact O-N 2.91Å; R372-L376 WeakPolarHBondContact O-CB 3.26Å; R372-L376 PolarHBondContact O-N 3.36Å; R372-Y544 WeakPolarHBondContact CD-O 3.15Å; R372-Y544 WeakPolarHBondContact CG-O 3.24Å; R372-Y544 PolarHBondContact NH1-O 3.28Å
373	L	90.2	Very high	86.5	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-37	179	-67.9	171.1	0	0	0	112	Y362 T364 D369 D370 L376 H377 S457 R458	Y362-L373 HydrophobicContact CD1-CB 4.23Å; Y362-L373 HydrophobicContact CD1-CD1 4.04Å; Y362-L373 HydrophobicContact CD2-CB 3.42Å; Y362-L373 VanDerWaalsContact CD2-CB 3.42Å; Y362-L373 HydrophobicContact CD2-CD1 4.3Å; Y362-L373 HydrophobicContact CE1-CB 4.49Å; Y362-L373 HydrophobicContact CE2-CB 3.73Å; Y362-L373 HydrophobicContact CG-CB 3.71Å; Y362-L373 HydrophobicContact CG-CD1 3.71Å; Y362-L373 HydrophobicContact CG-CG 4.34Å; T364-L373 HydrophobicContact CG2-CD1 3.56Å; D369-L373 WeakPolarHBondContact O-CB 3.39Å; D369-L373 VanDerWaalsContact O-CG 3.29Å; D369-L373 WeakPolarHBondContact O-CG 3.46Å; D369-L373 PolarHBondContact O-N 2.95Å; D369-L373 WeakPolarHBondContact OD2-CD1 3.35Å; D370-L373 PolarHBondContact O-N 3.4Å; L373-L376 PolarHBondContact O-N 3.08Å; L373-H377 PolarHBondContact O-N 3.14Å; L373-S457 WeakPolarHBondContact CD2-O 3.26Å; L373-S457 WeakPolarHBondContact O-CB 3.46Å; L373-S457 PolarHBondContact O-OG 3.41Å; L373-R458 HydrophobicContact CD1-CG 4.41Å
374	K	88.7	Confident	87.3	Confident	56 Å²	56	51.4 Å²	51.4	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-42.9	171.3	-71.7	170.5	179.6	173.4	0	112.1	V359 P360 D361 Y362 D370 R372 L376 H377 Y378	V359-K374 HydrophobicContact CG1-CB 4.31Å; V359-K374 HydrophobicContact CG1-CG 3.86Å; P360-K374 WeakPolarHBondContact O-CE 3.42Å; D361-K374 WeakPolarHBondContact OD1-CE 3.36Å; D361-K374 IonicContact OD1-NZ 3.16Å; D361-K374 PolarHBondContact OD1-NZ 3.35Å; Y362-K374 HydrophobicContact CD2-CG 4.01Å; Y362-K374 HydrophobicContact CE2-CG 4Å; D370-K374 WeakPolarHBondContact O-CB 3.33Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.45Å; D370-K374 PolarHBondContact O-N 2.97Å; R372-K374 VanDerWaalsContact C-N 3.33Å; R372-K374 PolarHBondContact O-N 2.84Å; K374-L376 PolarHBondContact O-N 3.37Å; K374-H377 WeakPolarHBondContact O-CB 3.43Å; K374-H377 PolarHBondContact O-N 2.63Å; K374-Y378 WeakPolarHBondContact O-CD2 3.34Å; K374-Y378 PolarHBondContact O-N 3.03Å; K374-Y378 VanDerWaalsContact O-N 3.08Å
375	K	89.2	Confident	88	Confident	61 Å²	61	51 Å²	51	27%	0.265	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-41.2	172.9	-73.6	165.5	-174.1	163	0	112.3	F329 Q371 R372 Y378 A379 Y544	F329-K375 HydrophobicContact CE1-CG 4.22Å; F329-K375 HydrophobicContact CZ-CG 4.07Å; Q371-K375 WeakPolarHBondContact O-CD 3.13Å; Q371-K375 VanDerWaalsContact O-CG 3.26Å; Q371-K375 WeakPolarHBondContact O-CG 3.36Å; Q371-K375 PolarHBondContact O-N 3.03Å; R372-K375 WeakPolarHBondContact O-CB 3.39Å; R372-K375 PolarHBondContact O-N 2.91Å; K375-Y378 PolarHBondContact O-N 3.04Å; K375-A379 PolarHBondContact O-N 2.97Å; K375-Y544 VanDerWaalsContact C-CD2 3.49Å; K375-Y544 HydrophobicContact CB-CD1 4.1Å; K375-Y544 HydrophobicContact CB-CD2 3.7Å; K375-Y544 HydrophobicContact CB-CE1 4.26Å; K375-Y544 HydrophobicContact CB-CE2 3.84Å; K375-Y544 HydrophobicContact CB-CG 3.86Å; K375-Y544 HydrophobicContact CD-CD1 4.41Å; K375-Y544 HydrophobicContact CD-CE1 4.26Å; K375-Y544 WeakPolarHBondContact O-CD2 3.36Å
376	L	92.1	Very high	88.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-41.6	176.4	-175.4	59.7	0	0	0	112	R372 L373 K374 A379 A380 W455 P460 Y541 L545	R372-L376 WeakPolarHBondContact O-CB 3.26Å; R372-L376 PolarHBondContact O-N 3.36Å; L373-L376 PolarHBondContact O-N 3.08Å; K374-L376 PolarHBondContact O-N 3.37Å; L376-A379 PolarHBondContact O-N 3.08Å; L376-A380 PolarHBondContact O-N 2.84Å; L376-W455 HydrophobicContact CG-CZ2 4.4Å; L376-P460 HydrophobicContact CD2-CB 4.09Å; L376-P460 HydrophobicContact CD2-CG 4.24Å; L376-Y541 HydrophobicContact CD1-CD2 3.58Å; L376-Y541 HydrophobicContact CD1-CE2 3.55Å; L376-Y541 HydrophobicContact CD1-CG 4.32Å; L376-Y541 HydrophobicContact CG-CE2 4.5Å; L376-L545 HydrophobicContact CD1-CD2 3.83Å; L376-L545 HydrophobicContact CD1-CG 4.37Å; L376-L545 HydrophobicContact CD2-CD2 3.95Å
377	H	90.8	Very high	89.3	Confident	18 Å²	18	43.9 Å²	43.9	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-49.8	172.7	-174.4	96.9	0	0	0	111.4	V359 L373 K374 A379 A380 V381 W455 S457	V359-H377 HydrophobicContact CG1-CB 4.12Å; L373-H377 PolarHBondContact O-N 3.14Å; K374-H377 WeakPolarHBondContact O-CB 3.43Å; K374-H377 PolarHBondContact O-N 2.63Å; H377-A379 VanDerWaalsContact C-N 3.29Å; H377-A379 PolarHBondContact O-N 3.47Å; H377-A380 PolarHBondContact O-N 2.82Å; H377-V381 WeakPolarHBondContact O-CG2 3.3Å; H377-V381 PolarHBondContact O-N 3.24Å; H377-W455 AromaticContact ND1-CD1 3.36Å; H377-W455 AromaticContact ND1-NE1 3.86Å; H377-S457 PolarHBondContact N-OG 3.44Å
378	Y	89.4	Confident	89.8	Confident	83 Å²	83	40.9 Å²	40.9	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-61.6	-35	177.1	-70.8	-56.3	0	0	0	113.1	F329 V359 K374 K375 E382	F329-Y378 AromaticContact CD1-CD2 3.94Å; F329-Y378 HydrophobicContact CD1-CD2 3.94Å; F329-Y378 AromaticContact CD1-CE2 3.94Å; F329-Y378 HydrophobicContact CD1-CE2 3.94Å; F329-Y378 HydrophobicContact CE1-CD2 4.16Å; F329-Y378 HydrophobicContact CE1-CE2 4.39Å; F329-Y378 HydrophobicContact CG-CE2 4.24Å; V359-Y378 HydrophobicContact CG2-CE1 3.75Å; K374-Y378 WeakPolarHBondContact O-CD2 3.34Å; K374-Y378 PolarHBondContact O-N 3.03Å; K374-Y378 VanDerWaalsContact O-N 3.08Å; K375-Y378 PolarHBondContact O-N 3.04Å; Y378-E382 PolarHBondContact O-N 3.02Å
379	A	89.6	Confident	90.1	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-40.2	174.6	0	0	0	0	0	112.2	K375 L376 H377 E382 F383 Y541 Y544	K375-A379 PolarHBondContact O-N 2.97Å; L376-A379 PolarHBondContact O-N 3.08Å; H377-A379 VanDerWaalsContact C-N 3.29Å; H377-A379 PolarHBondContact O-N 3.47Å; A379-E382 PolarHBondContact O-N 2.87Å; A379-F383 WeakPolarHBondContact O-CD2 3.4Å; A379-Y541 HydrophobicContact CB-CD2 4.38Å; A379-Y544 HydrophobicContact CB-CD2 4.07Å; A379-Y544 HydrophobicContact CB-CE2 4.18Å
380	A	91.4	Very high	90.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-46.2	174.2	0	0	0	0	0	112	L376 H377 E382 F383 W455 M462	L376-A380 PolarHBondContact O-N 2.84Å; H377-A380 PolarHBondContact O-N 2.82Å; A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 PolarHBondContact O-N 2.92Å; A380-F383 WeakPolarHBondContact O-CB 3.28Å; A380-F383 PolarHBondContact O-N 3Å; A380-W455 HydrophobicContact CB-CD2 3.9Å; A380-W455 HydrophobicContact CB-CE3 3.96Å; A380-W455 HydrophobicContact CB-CH2 3.71Å; A380-W455 HydrophobicContact CB-CZ2 3.61Å; A380-W455 HydrophobicContact CB-CZ3 3.87Å; A380-M462 HydrophobicContact CB-CE 4.18Å
381	V	90.2	Very high	90.7	Very high	55 Å²	55	32.7 Å²	32.7	33%	0.333	16%	0.155	S	C	.	.	H	α-helix	trans	-66.2	-27.5	177.6	175.3	0	0	0	0	112.3	H377 F383 L384 K385	H377-V381 WeakPolarHBondContact O-CG2 3.3Å; H377-V381 PolarHBondContact O-N 3.24Å; V381-F383 VanDerWaalsContact C-N 3.31Å; V381-F383 PolarHBondContact O-N 3.14Å; V381-L384 PolarHBondContact O-N 2.75Å; V381-K385 PolarHBondContact O-N 3.25Å; V381-K385 VanDerWaalsContact O-N 3.08Å
382	E	88.7	Confident	90.9	Very high	23 Å²	23	32.2 Å²	32.2	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-61.6	-38.1	173.6	-164.9	-178.2	166.2	0	0	111.8	Y378 A379 A380 L384 K385 V386 R533 L537 R540	Y378-E382 PolarHBondContact O-N 3.02Å; A379-E382 PolarHBondContact O-N 2.87Å; A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 PolarHBondContact O-N 2.92Å; E382-L384 VanDerWaalsContact C-N 3.35Å; E382-L384 PolarHBondContact O-N 2.93Å; E382-K385 PolarHBondContact O-N 2.91Å; E382-V386 HydrophobicContact CG-CG2 4.05Å; E382-V386 VanDerWaalsContact O-CB 3.31Å; E382-V386 WeakPolarHBondContact O-CB 3.26Å; E382-V386 VanDerWaalsContact O-CG2 3.22Å; E382-V386 WeakPolarHBondContact O-CG2 3.45Å; E382-V386 PolarHBondContact O-N 2.84Å; E382-R533 IonicContact OE1-CZ 3.96Å; E382-R533 IonicContact OE1-NE 3.4Å; E382-R533 IonicContact OE1-NH2 3.16Å; E382-R533 PolarHBondContact OE1-NH2 2.69Å; E382-L537 HydrophobicContact CB-CD2 4.15Å; E382-L537 HydrophobicContact CG-CD2 3.63Å; E382-L537 VanDerWaalsContact OE1-CD2 3.31Å; E382-L537 WeakPolarHBondContact OE1-CD2 3.37Å; E382-R540 IonicContact OE2-CZ 2.83Å; E382-R540 IonicContact OE2-NH1 2.83Å; E382-R540 PolarHBondContact OE2-NH1 2.85Å
383	F	92.7	Very high	90.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-57.9	-45.9	173.8	-76.3	-83.8	0	0	0	111.9	A379 A380 V381 V386 Q387 I448 M462 I466 L537 M538 Y541	A379-F383 WeakPolarHBondContact O-CD2 3.4Å; A380-F383 WeakPolarHBondContact O-CB 3.28Å; A380-F383 PolarHBondContact O-N 3Å; V381-F383 VanDerWaalsContact C-N 3.31Å; V381-F383 PolarHBondContact O-N 3.14Å; F383-V386 PolarHBondContact O-N 2.7Å; F383-Q387 WeakPolarHBondContact O-CB 3.19Å; F383-Q387 PolarHBondContact O-N 3.37Å; F383-I448 HydrophobicContact CB-CD1 4.29Å; F383-I448 HydrophobicContact CB-CG2 3.9Å; F383-M462 HydrophobicContact CB-CE 4.33Å; F383-M462 HydrophobicContact CB-SD 4.5Å; F383-M462 HydrophobicContact CD2-CE 4.41Å; F383-M462 HydrophobicContact CD2-CG 3.89Å; F383-M462 HydrophobicContact CD2-SD 4.41Å; F383-M462 HydrophobicContact CE2-CG 3.9Å; F383-M462 HydrophobicContact CG-CG 4.39Å; F383-M462 HydrophobicContact CG-SD 4.44Å; F383-M462 HydrophobicContact CZ-CG 4.41Å; F383-I466 HydrophobicContact CD1-CD1 3.61Å; F383-I466 HydrophobicContact CD1-CG1 4.01Å; F383-I466 HydrophobicContact CE1-CD1 3.73Å; F383-I466 HydrophobicContact CE1-CG1 3.65Å; F383-I466 HydrophobicContact CE1-CG2 4.37Å; F383-I466 HydrophobicContact CG-CD1 4.4Å; F383-I466 HydrophobicContact CZ-CG1 4.1Å; F383-L537 HydrophobicContact CD1-CB 3.96Å; F383-L537 HydrophobicContact CD1-CD1 3.69Å; F383-L537 HydrophobicContact CD1-CG 4.46Å; F383-L537 HydrophobicContact CD2-CB 4.47Å; F383-L537 HydrophobicContact CE1-CB 3.42Å; F383-L537 VanDerWaalsContact CE1-CB 3.42Å; F383-L537 HydrophobicContact CE1-CD1 3.97Å; F383-L537 HydrophobicContact CE1-CG 4.35Å; F383-L537 HydrophobicContact CE2-CB 4.01Å; F383-L537 HydrophobicContact CG-CB 4.46Å; F383-L537 HydrophobicContact CG-CD1 4.23Å; F383-L537 HydrophobicContact CZ-CB 3.47Å; F383-L537 VanDerWaalsContact CZ-CB 3.47Å; F383-M538 HydrophobicContact CE1-CE 4.42Å; F383-M538 HydrophobicContact CZ-CB 4.26Å; F383-M538 HydrophobicContact CZ-CE 3.82Å; F383-M538 HydrophobicContact CZ-SD 4.42Å; F383-Y541 HydrophobicContact CE2-CG 4.41Å
384	L	93.1	Very high	90.9	Very high	40 Å²	40	30 Å²	30	21%	0.209	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-48.4	-179.5	-178.3	57.3	0	0	0	111.3	V381 E382 Q387 N388 L445 I448 D449 C452	V381-L384 PolarHBondContact O-N 2.75Å; E382-L384 VanDerWaalsContact C-N 3.35Å; E382-L384 PolarHBondContact O-N 2.93Å; L384-Q387 PolarHBondContact O-N 3.45Å; L384-N388 WeakPolarHBondContact O-CB 3.46Å; L384-N388 PolarHBondContact O-N 3.38Å; L384-L445 HydrophobicContact CD1-CD1 3.79Å; L384-I448 HydrophobicContact CB-CG2 3.85Å; L384-I448 HydrophobicContact CD1-CG2 4.22Å; L384-D449 HydrophobicContact CD1-CB 3.87Å; L384-C452 HydrophobicContact CD2-CB 3.91Å
385	K	90.4	Very high	91	Very high	52 Å²	52	30.7 Å²	30.7	23%	0.226	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-42.7	179.8	-173.7	171.8	179.7	-175.6	0	112.4	T333 T336 S337 V381 E382 N389	T333-K385 PolarHBondContact O-NZ 3.49Å; T336-K385 WeakPolarHBondContact OG1-CD 3.44Å; T336-K385 WeakPolarHBondContact OG1-CE 3.35Å; T336-K385 PolarHBondContact OG1-NZ 3.3Å; T336-K385 VanDerWaalsContact OG1-NZ 3.09Å; S337-K385 PolarHBondContact OG-NZ 2.58Å; V381-K385 PolarHBondContact O-N 3.25Å; V381-K385 VanDerWaalsContact O-N 3.08Å; E382-K385 PolarHBondContact O-N 2.91Å; K385-N389 WeakPolarHBondContact O-CB 3.3Å; K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 2.84Å; K385-N389 VanDerWaalsContact O-N 3.17Å; K385-N389 PolarHBondContact O-ND2 3.05Å
386	V	89.8	Confident	91	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-46.7	176.5	168.7	0	0	0	0	110.9	E382 F383 N389 Y390 N530 R533 L537	E382-V386 HydrophobicContact CG-CG2 4.05Å; E382-V386 VanDerWaalsContact O-CB 3.31Å; E382-V386 WeakPolarHBondContact O-CB 3.26Å; E382-V386 VanDerWaalsContact O-CG2 3.22Å; E382-V386 WeakPolarHBondContact O-CG2 3.45Å; E382-V386 PolarHBondContact O-N 2.84Å; F383-V386 PolarHBondContact O-N 2.7Å; V386-N389 PolarHBondContact O-N 2.68Å; V386-Y390 WeakPolarHBondContact O-CB 3.44Å; V386-Y390 PolarHBondContact O-N 3.24Å; V386-N530 WeakPolarHBondContact CG1-OD1 3.44Å; V386-R533 HydrophobicContact CG1-CG 4.44Å; V386-L537 HydrophobicContact CB-CD1 4.23Å; V386-L537 HydrophobicContact CG1-CD1 4.14Å; V386-L537 HydrophobicContact CG2-CD1 4.28Å
387	Q	93.1	Very high	90.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-42.8	-178.3	-173	67.1	12.1	0	0	112.3	F383 L384 Y390 V391 H441 L444 L445 I448 Y534	F383-Q387 WeakPolarHBondContact O-CB 3.19Å; F383-Q387 PolarHBondContact O-N 3.37Å; L384-Q387 PolarHBondContact O-N 3.45Å; Q387-Y390 PolarHBondContact O-N 2.88Å; Q387-V391 WeakPolarHBondContact O-CG2 3.29Å; Q387-V391 PolarHBondContact O-N 2.69Å; Q387-H441 VanDerWaalsContact NE2-CA 3.33Å; Q387-H441 PolarHBondContact NE2-ND1 3.5Å; Q387-H441 PolarHBondContact NE2-O 2.98Å; Q387-L444 HydrophobicContact CG-CG 4.45Å; Q387-L445 HydrophobicContact CB-CD1 4.08Å; Q387-L445 HydrophobicContact CG-CB 3.76Å; Q387-L445 HydrophobicContact CG-CD1 3.87Å; Q387-L445 HydrophobicContact CG-CG 4.39Å; Q387-I448 HydrophobicContact CB-CD1 3.97Å; Q387-I448 HydrophobicContact CG-CD1 4.01Å; Q387-Y534 PolarHBondContact OE1-OH 2.81Å
388	N	93.3	Very high	90.8	Very high	88 Å²	88	27.4 Å²	27.4	47%	0.471	13%	0.133	S	C	.	.	H	α-helix	trans	-62.3	-48.7	178.3	-171.1	24.2	0	0	0	111.1	L384 Y390 V391 Q392 L445	L384-N388 WeakPolarHBondContact O-CB 3.46Å; L384-N388 PolarHBondContact O-N 3.38Å; N388-Y390 VanDerWaalsContact C-N 3.26Å; N388-Y390 PolarHBondContact O-N 2.9Å; N388-V391 PolarHBondContact O-N 2.71Å; N388-Q392 WeakPolarHBondContact O-CB 3.42Å; N388-Q392 PolarHBondContact O-N 2.83Å; N388-L445 HydrophobicContact CB-CD1 3.99Å
389	N	89	Confident	90.8	Very high	51 Å²	51	26 Å²	26	27%	0.273	13%	0.133	S	C	.	.	H	α-helix	trans	-56.7	-38.7	174.6	-78.4	-22.8	0	0	0	112.7	T336 K385 V386 Y393	T336-N389 PolarHBondContact O-ND2 3.07Å; K385-N389 WeakPolarHBondContact O-CB 3.3Å; K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 2.84Å; K385-N389 VanDerWaalsContact O-N 3.17Å; K385-N389 PolarHBondContact O-ND2 3.05Å; V386-N389 PolarHBondContact O-N 2.68Å; N389-Y393 WeakPolarHBondContact O-CB 3.15Å; N389-Y393 PolarHBondContact O-N 2.99Å
390	Y	92.1	Very high	90.9	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-73.6	-41.1	179.4	-175.5	-111.8	0	0	0	113.1	V386 Q387 N388 Q392 Y393 L394 H441 Q526 N530	V386-Y390 WeakPolarHBondContact O-CB 3.44Å; V386-Y390 PolarHBondContact O-N 3.24Å; Q387-Y390 PolarHBondContact O-N 2.88Å; N388-Y390 VanDerWaalsContact C-N 3.26Å; N388-Y390 PolarHBondContact O-N 2.9Å; Y390-Q392 VanDerWaalsContact C-N 3.31Å; Y390-Q392 PolarHBondContact O-N 3.41Å; Y390-Y393 AromaticContact CD2-CD1 3.64Å; Y390-Y393 HydrophobicContact CD2-CD1 3.64Å; Y390-Y393 HydrophobicContact CD2-CE1 4.18Å; Y390-Y393 AromaticContact CE2-CD1 3.6Å; Y390-Y393 HydrophobicContact CE2-CD1 3.6Å; Y390-Y393 AromaticContact CE2-CE1 3.65Å; Y390-Y393 HydrophobicContact CE2-CE1 3.65Å; Y390-Y393 WeakPolarHBondContact O-CB 3.24Å; Y390-Y393 PolarHBondContact O-N 3Å; Y390-L394 HydrophobicContact CD1-CD1 3.99Å; Y390-L394 HydrophobicContact CD1-CG 4.46Å; Y390-L394 HydrophobicContact CE1-CD1 3.47Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.47Å; Y390-L394 HydrophobicContact CE1-CG 4.06Å; Y390-L394 HydrophobicContact CE2-CG 4.38Å; Y390-L394 WeakPolarHBondContact O-CG 3.4Å; Y390-L394 PolarHBondContact O-N 2.88Å; Y390-H441 HydrophobicContact CD1-CB 4.21Å; Y390-H441 AromaticContact CD1-CG 3.83Å; Y390-H441 AromaticContact CD1-ND1 3.49Å; Y390-H441 WeakPolarHBondContact CD1-ND1 3.36Å; Y390-H441 HydrophobicContact CE1-CB 4.29Å; Y390-H441 AromaticContact CE1-CD2 3.87Å; Y390-H441 AromaticContact CE1-CE1 3.56Å; Y390-H441 AromaticContact CE1-CG 3.57Å; Y390-H441 AromaticContact CE1-ND1 3.37Å; Y390-H441 WeakPolarHBondContact CE1-ND1 3.49Å; Y390-H441 AromaticContact CE1-NE2 3.84Å; Y390-Q526 HydrophobicContact CD2-CG 4.11Å; Y390-Q526 HydrophobicContact CE2-CG 4.37Å; Y390-N530 HydrophobicContact CD1-CB 4.37Å; Y390-N530 WeakPolarHBondContact CD1-ND2 3.45Å; Y390-N530 HydrophobicContact CD2-CB 3.4Å; Y390-N530 VanDerWaalsContact CD2-CB 3.4Å; Y390-N530 HydrophobicContact CE1-CB 4.45Å; Y390-N530 WeakPolarHBondContact CE1-ND2 3.5Å; Y390-N530 HydrophobicContact CE2-CB 3.55Å; Y390-N530 HydrophobicContact CG-CB 3.85Å; Y390-N530 VanDerWaalsContact CG-CG 3.41Å; Y390-N530 VanDerWaalsContact CG-ND2 3.25Å
391	V	92.6	Very high	90.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-42	172.8	163.5	0	0	0	0	111	Q387 N388 L394 K395 L438 H441 E442 L445	Q387-V391 WeakPolarHBondContact O-CG2 3.29Å; Q387-V391 PolarHBondContact O-N 2.69Å; N388-V391 PolarHBondContact O-N 2.71Å; V391-L394 PolarHBondContact O-N 2.8Å; V391-K395 HydrophobicContact CG1-CD 4.23Å; V391-K395 WeakPolarHBondContact O-CG 3.4Å; V391-K395 PolarHBondContact O-N 3.1Å; V391-L438 HydrophobicContact CG1-CD1 4.22Å; V391-H441 VanDerWaalsContact CG2-C 3.49Å; V391-H441 HydrophobicContact CG2-CB 3.91Å; V391-H441 VanDerWaalsContact CG2-O 3.31Å; V391-H441 WeakPolarHBondContact CG2-O 3.2Å; V391-E442 HydrophobicContact CG1-CG 3.73Å; V391-E442 HydrophobicContact CG2-CG 4.38Å; V391-L445 HydrophobicContact CB-CD2 4.06Å; V391-L445 HydrophobicContact CG1-CD2 4.05Å; V391-L445 HydrophobicContact CG2-CB 4.16Å; V391-L445 HydrophobicContact CG2-CD2 4.05Å
392	Q	90.9	Very high	91	Very high	83 Å²	83	26.8 Å²	26.8	39%	0.388	14%	0.135	S	C	.	.	H	α-helix	trans	-63.9	-45.3	175.7	177.3	55.7	23.8	0	0	111.8	N388 Y390 L394 K395 E396	N388-Q392 WeakPolarHBondContact O-CB 3.42Å; N388-Q392 PolarHBondContact O-N 2.83Å; Y390-Q392 VanDerWaalsContact C-N 3.31Å; Y390-Q392 PolarHBondContact O-N 3.41Å; Q392-L394 VanDerWaalsContact C-N 3.33Å; Q392-L394 PolarHBondContact O-N 2.94Å; Q392-K395 PolarHBondContact O-N 3.41Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.21Å; Q392-E396 PolarHBondContact NE2-OE1 2.8Å; Q392-E396 VanDerWaalsContact O-CG 3.29Å; Q392-E396 WeakPolarHBondContact O-CG 3.48Å; Q392-E396 PolarHBondContact O-N 3.47Å
393	Y	90.9	Very high	91.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-54.7	-45.6	171.7	152.4	-97.8	0	0	0	112.6	N389 Y390 K395 E396 M397 M434 Q523 Q526 V527	N389-Y393 WeakPolarHBondContact O-CB 3.15Å; N389-Y393 PolarHBondContact O-N 2.99Å; Y390-Y393 AromaticContact CD2-CD1 3.64Å; Y390-Y393 HydrophobicContact CD2-CD1 3.64Å; Y390-Y393 HydrophobicContact CD2-CE1 4.18Å; Y390-Y393 AromaticContact CE2-CD1 3.6Å; Y390-Y393 HydrophobicContact CE2-CD1 3.6Å; Y390-Y393 AromaticContact CE2-CE1 3.65Å; Y390-Y393 HydrophobicContact CE2-CE1 3.65Å; Y390-Y393 WeakPolarHBondContact O-CB 3.24Å; Y390-Y393 PolarHBondContact O-N 3Å; Y393-K395 PolarHBondContact O-N 2.95Å; Y393-E396 PolarHBondContact O-N 2.72Å; Y393-M397 HydrophobicContact CD2-CG 3.84Å; Y393-M397 HydrophobicContact CE2-CB 4.48Å; Y393-M397 HydrophobicContact CE2-CG 3.45Å; Y393-M397 VanDerWaalsContact CE2-CG 3.45Å; Y393-M397 HydrophobicContact CE2-SD 4.39Å; Y393-M397 WeakPolarHBondContact O-CG 3.42Å; Y393-M397 PolarHBondContact O-N 3.23Å; Y393-M434 VanDerWaalsContact OH-CE 3.27Å; Y393-M434 WeakPolarHBondContact OH-CE 3.29Å; Y393-Q523 HydrophobicContact CD2-CB 4.27Å; Y393-Q523 HydrophobicContact CE2-CB 3.85Å; Y393-Q523 WeakPolarHBondContact CE2-O 3.47Å; Y393-Q523 PolarHBondContact OH-O 3.26Å; Y393-Q526 HydrophobicContact CD1-CB 4.19Å; Y393-Q526 HydrophobicContact CD1-CG 3.8Å; Y393-Q526 HydrophobicContact CD2-CB 4.1Å; Y393-Q526 HydrophobicContact CD2-CG 4.07Å; Y393-Q526 HydrophobicContact CE1-CB 3.93Å; Y393-Q526 HydrophobicContact CE1-CG 4.04Å; Y393-Q526 HydrophobicContact CE2-CB 3.82Å; Y393-Q526 HydrophobicContact CE2-CG 4.28Å; Y393-Q526 HydrophobicContact CG-CB 4.27Å; Y393-Q526 HydrophobicContact CG-CG 3.82Å; Y393-V527 HydrophobicContact CE1-CG2 3.92Å; Y393-V527 WeakPolarHBondContact OH-CG2 3.36Å
394	L	90.8	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-38.4	178.6	-74.7	177.9	0	0	0	111.9	Y390 V391 Q392 A398 M434 I437 L438 H441	Y390-L394 HydrophobicContact CD1-CD1 3.99Å; Y390-L394 HydrophobicContact CD1-CG 4.46Å; Y390-L394 HydrophobicContact CE1-CD1 3.47Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.47Å; Y390-L394 HydrophobicContact CE1-CG 4.06Å; Y390-L394 HydrophobicContact CE2-CG 4.38Å; Y390-L394 WeakPolarHBondContact O-CG 3.4Å; Y390-L394 PolarHBondContact O-N 2.88Å; V391-L394 PolarHBondContact O-N 2.8Å; Q392-L394 VanDerWaalsContact C-N 3.33Å; Q392-L394 PolarHBondContact O-N 2.94Å; L394-A398 WeakPolarHBondContact O-CB 3.35Å; L394-A398 PolarHBondContact O-N 3.16Å; L394-M434 HydrophobicContact CD2-CB 4.5Å; L394-M434 HydrophobicContact CD2-CG 4.38Å; L394-M434 HydrophobicContact CD2-SD 4.43Å; L394-I437 HydrophobicContact CD1-CG2 3.85Å; L394-I437 HydrophobicContact CD2-CG2 4.41Å; L394-L438 HydrophobicContact CB-CB 4.25Å; L394-L438 HydrophobicContact CB-CD1 3.8Å; L394-L438 HydrophobicContact CD1-CB 4.36Å; L394-L438 HydrophobicContact CD1-CD1 4.47Å; L394-H441 HydrophobicContact CD1-CB 4.18Å
395	K	91.3	Very high	90.9	Very high	69 Å²	69	28.1 Å²	28.1	30%	0.3	14%	0.139	S	C	.	.	H	α-helix	trans	-63.8	-43	174.7	-72.6	170.1	-179.2	176.4	0	112.3	V391 Q392 Y393 V399 L400 L438 E442	V391-K395 HydrophobicContact CG1-CD 4.23Å; V391-K395 WeakPolarHBondContact O-CG 3.4Å; V391-K395 PolarHBondContact O-N 3.1Å; Q392-K395 PolarHBondContact O-N 3.41Å; Y393-K395 PolarHBondContact O-N 2.95Å; K395-V399 WeakPolarHBondContact O-CA 3.45Å; K395-V399 VanDerWaalsContact O-CB 3.31Å; K395-V399 WeakPolarHBondContact O-CB 3.42Å; K395-V399 PolarHBondContact O-N 3.23Å; K395-L400 PolarHBondContact O-N 3.13Å; K395-L438 HydrophobicContact CG-CD1 3.86Å; K395-L438 HydrophobicContact CG-CD2 3.93Å; K395-E442 VanDerWaalsContact CE-CD 3.44Å; K395-E442 WeakPolarHBondContact CE-OE1 3.47Å; K395-E442 IonicContact NZ-OE1 2.9Å; K395-E442 PolarHBondContact NZ-OE1 3.2Å
396	E	89.6	Confident	90.8	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.037	14%	0.143	C	C	.	.	I	π-helix	trans	-62	-45.1	178.2	-69.2	160.4	174.2	0	0	112.1	R339 Q392 Y393 L400 Y401 V511	R339-E396 IonicContact CZ-OE1 3.66Å; R339-E396 IonicContact CZ-OE2 2.66Å; R339-E396 IonicContact NH1-OE1 3.36Å; R339-E396 IonicContact NH1-OE2 3.72Å; R339-E396 PolarHBondContact NH1-OE2 2.84Å; R339-E396 IonicContact NH2-OE1 3.48Å; R339-E396 PolarHBondContact NH2-OE1 2.91Å; R339-E396 IonicContact NH2-OE2 3.91Å; R339-E396 PolarHBondContact NH2-OE2 2.66Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.21Å; Q392-E396 PolarHBondContact NE2-OE1 2.8Å; Q392-E396 VanDerWaalsContact O-CG 3.29Å; Q392-E396 WeakPolarHBondContact O-CG 3.48Å; Q392-E396 PolarHBondContact O-N 3.47Å; Y393-E396 PolarHBondContact O-N 2.72Å; E396-L400 HydrophobicContact CG-CD1 4.11Å; E396-L400 CarbonylContact O-C 3.54Å; E396-L400 PolarHBondContact O-N 2.87Å; E396-Y401 WeakPolarHBondContact O-CB 3.36Å; E396-Y401 PolarHBondContact O-N 3.44Å; E396-V511 HydrophobicContact CB-CG1 4.25Å; E396-V511 HydrophobicContact CG-CG1 3.85Å
397	M	89.5	Confident	90.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.168	C	C	.	.	I	π-helix	trans	-81.6	-31.9	-176.5	-63.4	-71.8	-68.7	0	0	113.5	Y393 P402 M434 F512 V520 Q523 L524	Y393-M397 HydrophobicContact CD2-CG 3.84Å; Y393-M397 HydrophobicContact CE2-CB 4.48Å; Y393-M397 HydrophobicContact CE2-CG 3.45Å; Y393-M397 VanDerWaalsContact CE2-CG 3.45Å; Y393-M397 HydrophobicContact CE2-SD 4.39Å; Y393-M397 WeakPolarHBondContact O-CG 3.42Å; Y393-M397 PolarHBondContact O-N 3.23Å; M397-P402 WeakPolarHBondContact O-CD 3.46Å; M397-M434 HydrophobicContact CB-CE 3.99Å; M397-M434 HydrophobicContact CB-SD 3.38Å; M397-M434 WeakPolarHBondContact CB-SD 3.45Å; M397-M434 HydrophobicContact CE-CE 4.41Å; M397-M434 HydrophobicContact CG-SD 4.44Å; M397-F512 HydrophobicContact SD-CZ 4.19Å; M397-V520 HydrophobicContact CE-CG1 3.89Å; M397-V520 HydrophobicContact SD-CG1 4.39Å; M397-Q523 HydrophobicContact SD-CB 4.3Å; M397-L524 HydrophobicContact CE-CD2 3.62Å; M397-L524 HydrophobicContact CE-CG 4.32Å
398	A	89.2	Confident	90.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	17%	0.173	C	C	.	.	I	π-helix	trans	-88.2	-26.8	-178.2	0	0	0	0	0	113.9	L394 K431 M434 V435	L394-A398 WeakPolarHBondContact O-CB 3.35Å; L394-A398 PolarHBondContact O-N 3.16Å; A398-K431 WeakPolarHBondContact O-CG 3.49Å; A398-M434 HydrophobicContact CB-CB 3.64Å; A398-V435 HydrophobicContact CB-CG2 4.07Å
399	V	89.1	Confident	90.2	Very high	53 Å²	53	32.7 Å²	32.7	32%	0.321	15%	0.151	S	C	.	.	I	π-helix	trans	-118.8	-61.5	-175.2	-173.4	0	0	0	0	110.7	K395 Y401 P402 E403	K395-V399 WeakPolarHBondContact O-CA 3.45Å; K395-V399 VanDerWaalsContact O-CB 3.31Å; K395-V399 WeakPolarHBondContact O-CB 3.42Å; K395-V399 PolarHBondContact O-N 3.23Å; V399-Y401 PolarHBondContact O-N 2.67Å; V399-P402 WeakPolarHBondContact O-CD 3.06Å; V399-E403 VanDerWaalsContact CG1-OE1 3.23Å; V399-E403 WeakPolarHBondContact CG1-OE1 3.24Å; V399-E403 WeakPolarHBondContact O-CB 3.14Å; V399-E403 WeakPolarHBondContact O-CG 3.2Å; V399-E403 PolarHBondContact O-N 3.46Å
400	L	90.6	Very high	90.2	Very high	75 Å²	75	37.6 Å²	37.6	39%	0.393	17%	0.171	S	C	.	.	I	π-helix	trans	-68.1	-39.8	-170.2	-56.8	-178.6	0	0	0	113.1	K395 E396 Y404 F507	K395-L400 PolarHBondContact O-N 3.13Å; E396-L400 HydrophobicContact CG-CD1 4.11Å; E396-L400 CarbonylContact O-C 3.54Å; E396-L400 PolarHBondContact O-N 2.87Å; L400-Y404 WeakPolarHBondContact O-CB 3.34Å; L400-Y404 PolarHBondContact O-N 3.33Å; L400-F507 HydrophobicContact CB-CE2 4.08Å
401	Y	92	Very high	89.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-51.7	179.8	178.5	-132.6	0	0	0	112.2	E396 V399 E403 Y404 M405 V427 F500 T504 F507 V520	E396-Y401 WeakPolarHBondContact O-CB 3.36Å; E396-Y401 PolarHBondContact O-N 3.44Å; V399-Y401 PolarHBondContact O-N 2.67Å; Y401-E403 PolarHBondContact O-N 3.31Å; Y401-Y404 PolarHBondContact O-N 2.93Å; Y401-M405 HydrophobicContact CD2-CE 3.97Å; Y401-M405 HydrophobicContact CD2-CG 4.27Å; Y401-M405 HydrophobicContact CD2-SD 4.37Å; Y401-M405 HydrophobicContact CE2-CE 3.57Å; Y401-M405 HydrophobicContact CE2-CG 3.96Å; Y401-M405 HydrophobicContact CE2-SD 3.61Å; Y401-M405 WeakPolarHBondContact O-CG 3.47Å; Y401-M405 PolarHBondContact O-N 3.37Å; Y401-V427 HydrophobicContact CD1-CG1 3.88Å; Y401-V427 HydrophobicContact CE1-CB 4.38Å; Y401-V427 HydrophobicContact CE1-CG1 3.84Å; Y401-V427 HydrophobicContact CE1-CG2 3.71Å; Y401-F500 WeakPolarHBondContact OH-CZ 3.46Å; Y401-T504 HydrophobicContact CE2-CG2 3.9Å; Y401-T504 WeakPolarHBondContact OH-CG2 3.41Å; Y401-T504 PolarHBondContact OH-OG1 3.46Å; Y401-F507 VanDerWaalsContact CA-CE2 3.48Å; Y401-F507 HydrophobicContact CD2-CB 4.35Å; Y401-F507 AromaticContact CD2-CD1 3.55Å; Y401-F507 HydrophobicContact CD2-CD1 3.55Å; Y401-F507 HydrophobicContact CD2-CD2 4.19Å; Y401-F507 AromaticContact CD2-CE1 3.84Å; Y401-F507 HydrophobicContact CD2-CE1 3.84Å; Y401-F507 HydrophobicContact CD2-CE2 4.42Å; Y401-F507 AromaticContact CD2-CG 3.75Å; Y401-F507 HydrophobicContact CD2-CG 3.75Å; Y401-F507 HydrophobicContact CD2-CZ 4.27Å; Y401-F507 HydrophobicContact CE2-CD1 4.23Å; Y401-F507 HydrophobicContact CE2-CG 4.48Å; Y401-F507 HydrophobicContact CG-CD1 4.21Å; Y401-F507 HydrophobicContact CG-CE1 4.02Å; Y401-F507 HydrophobicContact CG-CZ 4.26Å; Y401-V520 HydrophobicContact CD1-CG1 4.34Å; Y401-V520 HydrophobicContact CE1-CG1 3.85Å; Y401-V520 HydrophobicContact CE2-CG2 4.36Å
402	P	91.5	Very high	89.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.3	-48.6	171.3	-24.2	31.4	0	0	0	113.4	M397 V399 Y404 M405 E406 L417 V427 K431	M397-P402 WeakPolarHBondContact O-CD 3.46Å; V399-P402 WeakPolarHBondContact O-CD 3.06Å; P402-Y404 VanDerWaalsContact C-N 3.26Å; P402-Y404 PolarHBondContact O-N 3.03Å; P402-M405 PolarHBondContact O-N 2.91Å; P402-M405 VanDerWaalsContact O-N 3.14Å; P402-E406 WeakPolarHBondContact O-CG 3.28Å; P402-E406 PolarHBondContact O-N 2.72Å; P402-L417 HydrophobicContact CB-CD1 4.46Å; P402-V427 HydrophobicContact CB-CG1 4.21Å; P402-V427 HydrophobicContact CG-CG1 3.91Å; P402-K431 HydrophobicContact CB-CD 3.81Å; P402-K431 HydrophobicContact CG-CB 3.97Å; P402-K431 HydrophobicContact CG-CD 3.8Å; P402-K431 HydrophobicContact CG-CG 4.1Å
403	E	90.9	Very high	89.1	Confident	66 Å²	66	48.3 Å²	48.3	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-35.9	178.8	-78.5	-169.8	-140.8	0	0	112.4	V399 Y401 E406 R407	V399-E403 VanDerWaalsContact CG1-OE1 3.23Å; V399-E403 WeakPolarHBondContact CG1-OE1 3.24Å; V399-E403 WeakPolarHBondContact O-CB 3.14Å; V399-E403 WeakPolarHBondContact O-CG 3.2Å; V399-E403 PolarHBondContact O-N 3.46Å; Y401-E403 PolarHBondContact O-N 3.31Å; E403-E406 PolarHBondContact O-N 2.91Å; E403-R407 WeakPolarHBondContact O-CB 3.43Å; E403-R407 WeakPolarHBondContact O-CD 3.48Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 2.95Å; E403-R407 IonicContact OE2-CZ 3.84Å; E403-R407 IonicContact OE2-NE 2.67Å; E403-R407 IonicContact OE2-NH2 3.66Å; E403-R407 PolarHBondContact OE2-NH2 2.87Å
404	Y	90.8	Very high	88.8	Confident	27 Å²	27	53.4 Å²	53.4	11%	0.106	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-42.1	175.5	-168.5	-79	0	0	0	111.5	L400 Y401 P402 E406 R407 F408 A503 M506 F507 E510	L400-Y404 WeakPolarHBondContact O-CB 3.34Å; L400-Y404 PolarHBondContact O-N 3.33Å; Y401-Y404 PolarHBondContact O-N 2.93Å; P402-Y404 VanDerWaalsContact C-N 3.26Å; P402-Y404 PolarHBondContact O-N 3.03Å; Y404-E406 VanDerWaalsContact C-N 3.34Å; Y404-E406 PolarHBondContact O-N 3.15Å; Y404-R407 PolarHBondContact O-N 3.45Å; Y404-F408 HydrophobicContact CD1-CB 4.34Å; Y404-F408 HydrophobicContact CE1-CB 4.15Å; Y404-F408 AromaticContact CE1-CD2 3.77Å; Y404-F408 HydrophobicContact CE1-CD2 3.77Å; Y404-F408 HydrophobicContact CE1-CG 4.36Å; Y404-F408 VanDerWaalsContact O-CB 3.24Å; Y404-F408 WeakPolarHBondContact O-CB 3.28Å; Y404-F408 PolarHBondContact O-N 2.77Å; Y404-A503 WeakPolarHBondContact CE1-O 3.49Å; Y404-M506 HydrophobicContact CE1-CB 4.16Å; Y404-M506 VanDerWaalsContact OH-CB 3.31Å; Y404-M506 WeakPolarHBondContact OH-CB 3.24Å; Y404-F507 HydrophobicContact CD1-CB 3.8Å; Y404-F507 HydrophobicContact CD1-CD2 4.32Å; Y404-F507 HydrophobicContact CD2-CD2 4.17Å; Y404-F507 HydrophobicContact CE1-CB 4.08Å; Y404-F507 HydrophobicContact CG-CB 4.12Å; Y404-F507 AromaticContact CG-CD2 3.8Å; Y404-F507 HydrophobicContact CG-CD2 3.8Å; Y404-F507 HydrophobicContact CG-CG 4.43Å; Y404-E510 VanDerWaalsContact CE2-OE1 3.29Å; Y404-E510 WeakPolarHBondContact CE2-OE1 3.22Å; Y404-E510 WeakPolarHBondContact CE2-OE2 3.37Å; Y404-E510 VanDerWaalsContact CZ-OE1 3.29Å; Y404-E510 PolarHBondContact OH-OE1 2.85Å
405	M	91	Very high	88.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-45	173.2	-61.6	-61.2	85.4	0	0	111.2	Y401 P402 F408 G409 L417 V427 F500 A503 F507	Y401-M405 HydrophobicContact CD2-CE 3.97Å; Y401-M405 HydrophobicContact CD2-CG 4.27Å; Y401-M405 HydrophobicContact CD2-SD 4.37Å; Y401-M405 HydrophobicContact CE2-CE 3.57Å; Y401-M405 HydrophobicContact CE2-CG 3.96Å; Y401-M405 HydrophobicContact CE2-SD 3.61Å; Y401-M405 WeakPolarHBondContact O-CG 3.47Å; Y401-M405 PolarHBondContact O-N 3.37Å; P402-M405 PolarHBondContact O-N 2.91Å; P402-M405 VanDerWaalsContact O-N 3.14Å; M405-F408 PolarHBondContact O-N 2.93Å; M405-G409 PolarHBondContact O-N 3.4Å; M405-L417 HydrophobicContact CB-CD1 4.16Å; M405-L417 HydrophobicContact CB-CD2 3.61Å; M405-L417 HydrophobicContact CB-CG 3.8Å; M405-L417 HydrophobicContact CG-CD2 3.92Å; M405-V427 HydrophobicContact CG-CG1 4.42Å; M405-F500 HydrophobicContact SD-CD2 4.31Å; M405-F500 HydrophobicContact SD-CE2 3.95Å; M405-F500 HydrophobicContact SD-CZ 4.39Å; M405-A503 HydrophobicContact CE-CB 3.76Å; M405-A503 WeakPolarHBondContact CE-O 3.25Å; M405-A503 HydrophobicContact SD-CB 4.15Å; M405-F507 HydrophobicContact CE-CB 4.46Å
406	E	89.6	Confident	88.3	Confident	63 Å²	63	55.4 Å²	55.4	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.7	-67.9	178.5	-141.2	0	0	112.3	P402 E403 Y404 K410 L417 K431	P402-E406 WeakPolarHBondContact O-CG 3.28Å; P402-E406 PolarHBondContact O-N 2.72Å; E403-E406 PolarHBondContact O-N 2.91Å; Y404-E406 VanDerWaalsContact C-N 3.34Å; Y404-E406 PolarHBondContact O-N 3.15Å; E406-K410 WeakPolarHBondContact O-CB 3.39Å; E406-K410 VanDerWaalsContact O-CD 3.32Å; E406-K410 WeakPolarHBondContact O-CD 3.18Å; E406-K410 WeakPolarHBondContact O-CG 3.41Å; E406-K410 PolarHBondContact O-N 3.42Å; E406-K410 VanDerWaalsContact O-N 3.09Å; E406-K410 IonicContact OE2-NZ 3.74Å; E406-L417 HydrophobicContact CG-CD1 3.64Å; E406-L417 HydrophobicContact CG-CG 4.48Å; E406-K431 IonicContact OE1-NZ 3.77Å
407	R	88.5	Confident	88.1	Confident	154 Å²	154	55.6 Å²	55.6	58%	0.581	27%	0.271	S	S	*	.	H	α-helix	trans	-67.6	-38.2	179.2	-69.2	168.1	-164.9	-148.7	10.3	111.8	E403 Y404 R411	E403-R407 WeakPolarHBondContact O-CB 3.43Å; E403-R407 WeakPolarHBondContact O-CD 3.48Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 2.95Å; E403-R407 IonicContact OE2-CZ 3.84Å; E403-R407 IonicContact OE2-NE 2.67Å; E403-R407 IonicContact OE2-NH2 3.66Å; E403-R407 PolarHBondContact OE2-NH2 2.87Å; Y404-R407 PolarHBondContact O-N 3.45Å; R407-R411 PolarHBondContact O-N 2.79Å
408	F	88.5	Confident	87.7	Confident	25 Å²	25	57.7 Å²	57.7	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-47.8	177.2	-166.5	-75.1	0	0	0	110.8	Y404 M405 K410 R411 V412 L416 E502 A503 M506	Y404-F408 HydrophobicContact CD1-CB 4.34Å; Y404-F408 HydrophobicContact CE1-CB 4.15Å; Y404-F408 AromaticContact CE1-CD2 3.77Å; Y404-F408 HydrophobicContact CE1-CD2 3.77Å; Y404-F408 HydrophobicContact CE1-CG 4.36Å; Y404-F408 VanDerWaalsContact O-CB 3.24Å; Y404-F408 WeakPolarHBondContact O-CB 3.28Å; Y404-F408 PolarHBondContact O-N 2.77Å; M405-F408 PolarHBondContact O-N 2.93Å; F408-K410 VanDerWaalsContact C-N 3.32Å; F408-K410 PolarHBondContact O-N 2.9Å; F408-R411 WeakPolarHBondContact O-CB 3.17Å; F408-R411 PolarHBondContact O-N 2.65Å; F408-V412 HydrophobicContact CD1-CG2 3.86Å; F408-V412 HydrophobicContact CE1-CG2 3.58Å; F408-V412 HydrophobicContact CZ-CG2 4.46Å; F408-V412 PolarHBondContact O-N 2.92Å; F408-V412 VanDerWaalsContact O-N 3.15Å; F408-L416 HydrophobicContact CD1-CD1 3.75Å; F408-L416 HydrophobicContact CE1-CD1 4.47Å; F408-E502 HydrophobicContact CZ-CG 4.32Å; F408-A503 HydrophobicContact CB-CB 4.11Å; F408-A503 HydrophobicContact CD1-CB 3.47Å; F408-A503 VanDerWaalsContact CD1-CB 3.47Å; F408-A503 HydrophobicContact CD2-CB 4.01Å; F408-A503 HydrophobicContact CE1-CB 3.77Å; F408-A503 HydrophobicContact CE2-CB 4.31Å; F408-A503 HydrophobicContact CG-CB 3.6Å; F408-A503 HydrophobicContact CZ-CB 4.2Å; F408-M506 HydrophobicContact CE2-CB 4.36Å; F408-M506 HydrophobicContact CE2-CG 3.96Å
409	G	86.8	Confident	87.2	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-56.9	-43.2	176.7	0	0	0	0	0	112.9	M405 R411 V412 G413 R414	M405-G409 PolarHBondContact O-N 3.4Å; G409-R411 VanDerWaalsContact C-N 3.25Å; G409-R411 PolarHBondContact O-N 2.86Å; G409-V412 CarbonylContact O-C 3.51Å; G409-V412 PolarHBondContact O-N 3.49Å; G409-V412 VanDerWaalsContact O-N 3.08Å; G409-G413 PolarHBondContact O-N 3.47Å; G409-R414 CarbonylContact C-O 3.58Å; G409-R414 WeakPolarHBondContact CA-O 3.44Å; G409-R414 PolarHBondContact O-N 3.39Å; G409-R414 VanDerWaalsContact O-O 3.11Å
410	K	87.1	Confident	86.1	Confident	155 Å²	155	62.3 Å²	62.3	67%	0.674	32%	0.316	S	S	*	.	H	α-helix	trans	-60.2	-28.1	173.8	-73.6	163.3	-172.6	158.8	0	113.9	E406 F408	E406-K410 WeakPolarHBondContact O-CB 3.39Å; E406-K410 VanDerWaalsContact O-CD 3.32Å; E406-K410 WeakPolarHBondContact O-CD 3.18Å; E406-K410 WeakPolarHBondContact O-CG 3.41Å; E406-K410 PolarHBondContact O-N 3.42Å; E406-K410 VanDerWaalsContact O-N 3.09Å; E406-K410 IonicContact OE2-NZ 3.74Å; F408-K410 VanDerWaalsContact C-N 3.32Å; F408-K410 PolarHBondContact O-N 2.9Å
411	R	85.2	Confident	84.9	Confident	174 Å²	174	64.8 Å²	64.8	66%	0.657	33%	0.33	S	S	*	.	H	α-helix	trans	-80	-27.8	173.9	-69.4	-175.9	-62.3	-168.9	1.2	113.5	R407 F408 G409	R407-R411 PolarHBondContact O-N 2.79Å; F408-R411 WeakPolarHBondContact O-CB 3.17Å; F408-R411 PolarHBondContact O-N 2.65Å; G409-R411 VanDerWaalsContact C-N 3.25Å; G409-R411 PolarHBondContact O-N 2.86Å
412	V	84.5	Confident	83.6	Confident	67 Å²	67	68.1 Å²	68.1	41%	0.406	36%	0.364	S	S	.	.	H	α-helix	trans	-89	-15.3	177.5	179.5	0	0	0	0	112	F408 G409 R414	F408-V412 HydrophobicContact CD1-CG2 3.86Å; F408-V412 HydrophobicContact CE1-CG2 3.58Å; F408-V412 HydrophobicContact CZ-CG2 4.46Å; F408-V412 PolarHBondContact O-N 2.92Å; F408-V412 VanDerWaalsContact O-N 3.15Å; G409-V412 CarbonylContact O-C 3.51Å; G409-V412 PolarHBondContact O-N 3.49Å; G409-V412 VanDerWaalsContact O-N 3.08Å; V412-R414 HydrophobicContact CG1-CB 4.49Å
413	G	83.1	Confident	82.6	Confident	72 Å²	72	74.5 Å²	74.5	74%	0.742	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	18.2	-176.4	0	0	0	0	0	113.9	G409	G409-G413 PolarHBondContact O-N 3.47Å
414	R	85.4	Confident	82.2	Confident	110 Å²	110	75.1 Å²	75.1	42%	0.415	40%	0.396	S	S	.	.	S	Bend	trans	-137	135.3	-173.4	-170.1	-179.5	174.5	-129.2	-13.8	111.3	G409 V412 L416 D497 E499	G409-R414 CarbonylContact C-O 3.58Å; G409-R414 WeakPolarHBondContact CA-O 3.44Å; G409-R414 PolarHBondContact O-N 3.39Å; G409-R414 VanDerWaalsContact O-O 3.11Å; V412-R414 HydrophobicContact CG1-CB 4.49Å; R414-L416 PolarHBondContact O-N 3Å; R414-L416 VanDerWaalsContact O-N 3.17Å; R414-D497 IonicContact CZ-OD2 2.67Å; R414-D497 IonicContact NH1-OD1 3.39Å; R414-D497 PolarHBondContact NH1-OD1 2.84Å; R414-D497 IonicContact NH1-OD2 3.59Å; R414-D497 PolarHBondContact NH1-OD2 2.85Å; R414-D497 IonicContact NH2-OD2 3.25Å; R414-D497 PolarHBondContact NH2-OD2 3.23Å; R414-E499 WeakPolarHBondContact CD-OE2 3.48Å; R414-E499 IonicContact CZ-OE2 2.78Å; R414-E499 IonicContact NE-OE2 3.15Å; R414-E499 IonicContact NH1-OE2 2.7Å; R414-E499 PolarHBondContact NH1-OE2 3.11Å
415	D	86.1	Confident	82.1	Confident	102 Å²	102	74 Å²	74	55%	0.545	39%	0.392	S	S	.	.			trans	-78.8	100.4	176.7	-176.7	12.4	0	0	0	111.5	L417 A418	D415-L417 PolarHBondContact O-N 3.49Å; D415-L417 WeakPolarHBondContact OD1-CA 3.46Å; D415-L417 PolarHBondContact OD1-N 2.92Å; D415-A418 HydrophobicContact CB-CB 4.12Å; D415-A418 VanDerWaalsContact CG-N 3.34Å; D415-A418 WeakPolarHBondContact O-CB 3.33Å; D415-A418 PolarHBondContact O-N 2.98Å; D415-A418 PolarHBondContact OD1-N 3.37Å; D415-A418 WeakPolarHBondContact OD2-CA 3.2Å; D415-A418 PolarHBondContact OD2-N 2.93Å
416	L	86	Confident	82	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.042	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-10	175.8	-62.2	-179	0	0	0	113.6	F408 R414 N425 E499 F500 A503	F408-L416 HydrophobicContact CD1-CD1 3.75Å; F408-L416 HydrophobicContact CE1-CD1 4.47Å; R414-L416 PolarHBondContact O-N 3Å; R414-L416 VanDerWaalsContact O-N 3.17Å; L416-N425 PolarHBondContact O-ND2 3.48Å; L416-N425 VanDerWaalsContact O-ND2 3.15Å; L416-E499 HydrophobicContact CD2-CB 4.09Å; L416-F500 HydrophobicContact CB-CD2 4.4Å; L416-A503 HydrophobicContact CD1-CB 3.61Å
417	L	85.5	Confident	82.1	Confident	12 Å²	12	71.4 Å²	71.4	6%	0.063	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	7.7	174.7	-64.3	-167.1	0	0	0	113.5	P402 M405 E406 D415 N425 V427 L428	P402-L417 HydrophobicContact CB-CD1 4.46Å; M405-L417 HydrophobicContact CB-CD1 4.16Å; M405-L417 HydrophobicContact CB-CD2 3.61Å; M405-L417 HydrophobicContact CB-CG 3.8Å; M405-L417 HydrophobicContact CG-CD2 3.92Å; E406-L417 HydrophobicContact CG-CD1 3.64Å; E406-L417 HydrophobicContact CG-CG 4.48Å; D415-L417 PolarHBondContact O-N 3.49Å; D415-L417 WeakPolarHBondContact OD1-CA 3.46Å; D415-L417 PolarHBondContact OD1-N 2.92Å; L417-N425 VanDerWaalsContact O-CB 3.26Å; L417-N425 WeakPolarHBondContact O-CB 3.28Å; L417-V427 HydrophobicContact CD2-CB 3.77Å; L417-V427 HydrophobicContact CD2-CG1 4Å; L417-V427 HydrophobicContact CD2-CG2 4.18Å; L417-L428 HydrophobicContact CB-CD1 4.41Å; L417-L428 HydrophobicContact CD1-CD2 3.97Å; L417-L428 HydrophobicContact CD1-CG 4.43Å
418	A	81.1	Confident	82.3	Confident	46 Å²	46	66.2 Å²	66.2	38%	0.38	36%	0.364	S	S	.	.	S	Bend	trans	-55.9	154.2	173.7	0	0	0	0	0	112.2	D415 H420 N425	D415-A418 HydrophobicContact CB-CB 4.12Å; D415-A418 VanDerWaalsContact CG-N 3.34Å; D415-A418 WeakPolarHBondContact O-CB 3.33Å; D415-A418 PolarHBondContact O-N 2.98Å; D415-A418 PolarHBondContact OD1-N 3.37Å; D415-A418 WeakPolarHBondContact OD2-CA 3.2Å; D415-A418 PolarHBondContact OD2-N 2.93Å; A418-H420 PolarHBondContact O-N 3.4Å; A418-H420 VanDerWaalsContact O-N 3.15Å; A418-N425 PolarHBondContact O-ND2 3.33Å
419	S	77	Confident	82.3	Confident	86 Å²	86	66.7 Å²	66.7	60%	0.601	37%	0.367	S	S	*	.			trans	-62.3	112.5	178.6	-64.4	0	0	0	0	111.6	H423	S419-H423 CarbonylContact C-O 3.56Å; S419-H423 WeakPolarHBondContact CA-O 3.47Å; S419-H423 WeakPolarHBondContact CB-O 3.32Å
420	H	67.6	Low	82.5	Confident	65 Å²	65	66.7 Å²	66.7	30%	0.301	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-83.2	124.6	-178.9	-163.3	-103.2	0	0	0	110.1	A418 G422 H423 E496	A418-H420 PolarHBondContact O-N 3.4Å; A418-H420 VanDerWaalsContact O-N 3.15Å; H420-G422 PolarHBondContact O-N 3.16Å; H420-H423 PolarHBondContact N-O 3.29Å; H420-H423 PolarHBondContact O-N 2.78Å; H420-E496 IonicContact CE1-OE2 3.04Å; H420-E496 PolarHBondContact CE1-OE2 2.79Å; H420-E496 IonicContact NE2-OE2 3.9Å
421	N	64.4	Low	82.6	Confident	126 Å²	126	62.2 Å²	62.2	67%	0.674	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.7	-178.2	-59.1	-17.8	0	0	0	114	H423	N421-H423 VanDerWaalsContact C-N 3.32Å; N421-H423 PolarHBondContact O-N 2.81Å
422	G	65.6	Low	82.7	Confident	70 Å²	70	59.3 Å²	59.3	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	6.3	-179.3	0	0	0	0	0	115.4	H420	H420-G422 PolarHBondContact O-N 3.16Å
423	H	70	Confident	82.8	Confident	135 Å²	135	57.1 Å²	57.1	63%	0.625	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-115.1	149.4	178.7	-61.4	-45.7	0	0	0	112.4	S419 H420 N421 N425	S419-H423 CarbonylContact C-O 3.56Å; S419-H423 WeakPolarHBondContact CA-O 3.47Å; S419-H423 WeakPolarHBondContact CB-O 3.32Å; H420-H423 PolarHBondContact N-O 3.29Å; H420-H423 PolarHBondContact O-N 2.78Å; N421-H423 VanDerWaalsContact C-N 3.32Å; N421-H423 PolarHBondContact O-N 2.81Å; H423-N425 PolarHBondContact O-N 3.14Å
424	E	81.8	Confident	83.1	Confident	78 Å²	78	53.7 Å²	53.7	36%	0.364	29%	0.29	S	S	.	.			trans	-48.9	132.3	172.9	180	174.2	-143.3	0	0	110.2	L428 Q429 K432	E424-L428 HydrophobicContact CG-CB 3.87Å; E424-Q429 HydrophobicContact CB-CG 4.28Å; E424-Q429 HydrophobicContact CG-CG 4.11Å; E424-Q429 PolarHBondContact O-NE2 2.82Å; E424-K432 IonicContact OE1-NZ 3.38Å; E424-K432 PolarHBondContact OE1-NZ 2.8Å; E424-K432 IonicContact OE2-NZ 3.63Å; E424-K432 PolarHBondContact OE2-NZ 2.93Å
425	N	89.6	Confident	83.1	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	29%	0.29	C	S	.	.			trans	-57.8	142.3	-175.8	-171.2	-66.3	0	0	0	111.8	L416 L417 A418 H423 V427 L428 Q429	L416-N425 PolarHBondContact O-ND2 3.48Å; L416-N425 VanDerWaalsContact O-ND2 3.15Å; L417-N425 VanDerWaalsContact O-CB 3.26Å; L417-N425 WeakPolarHBondContact O-CB 3.28Å; A418-N425 PolarHBondContact O-ND2 3.33Å; H423-N425 PolarHBondContact O-N 3.14Å; N425-V427 PolarHBondContact O-N 3.23Å; N425-V427 VanDerWaalsContact O-N 3.15Å; N425-V427 PolarHBondContact OD1-N 3.29Å; N425-L428 HydrophobicContact CB-CD1 4.19Å; N425-L428 HydrophobicContact CB-CG 4.26Å; N425-L428 WeakPolarHBondContact O-CA 3.23Å; N425-L428 WeakPolarHBondContact O-CB 3.49Å; N425-L428 PolarHBondContact O-N 3.5Å; N425-Q429 PolarHBondContact O-N 3.18Å
426	V	89.5	Confident	82.9	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-33.9	-176.9	65.6	0	0	0	0	112.9	L428 Q429 I430 F486 K489 L490 L493	V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 2.7Å; V426-Q429 PolarHBondContact O-N 3.33Å; V426-I430 HydrophobicContact CG2-CD1 4.1Å; V426-I430 WeakPolarHBondContact O-CD1 3.42Å; V426-I430 VanDerWaalsContact O-CG1 3.28Å; V426-I430 WeakPolarHBondContact O-CG1 3.24Å; V426-I430 PolarHBondContact O-N 3.33Å; V426-F486 HydrophobicContact CG2-CB 4.42Å; V426-F486 HydrophobicContact CG2-CD1 4.25Å; V426-K489 HydrophobicContact CB-CB 4.01Å; V426-K489 HydrophobicContact CG2-CB 3.68Å; V426-K489 HydrophobicContact CG2-CD 4.33Å; V426-L490 HydrophobicContact CG1-CB 4.3Å; V426-L490 HydrophobicContact CG1-CD1 3.97Å; V426-L490 HydrophobicContact CG2-CB 4.43Å; V426-L493 HydrophobicContact CG1-CD2 4.05Å
427	V	91.7	Very high	83	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-36.6	176.3	-178.6	0	0	0	0	111.3	Y401 P402 M405 L417 N425 K431 F500	Y401-V427 HydrophobicContact CD1-CG1 3.88Å; Y401-V427 HydrophobicContact CE1-CB 4.38Å; Y401-V427 HydrophobicContact CE1-CG1 3.84Å; Y401-V427 HydrophobicContact CE1-CG2 3.71Å; P402-V427 HydrophobicContact CB-CG1 4.21Å; P402-V427 HydrophobicContact CG-CG1 3.91Å; M405-V427 HydrophobicContact CG-CG1 4.42Å; L417-V427 HydrophobicContact CD2-CB 3.77Å; L417-V427 HydrophobicContact CD2-CG1 4Å; L417-V427 HydrophobicContact CD2-CG2 4.18Å; N425-V427 PolarHBondContact O-N 3.23Å; N425-V427 VanDerWaalsContact O-N 3.15Å; N425-V427 PolarHBondContact OD1-N 3.29Å; V427-K431 VanDerWaalsContact O-CB 3.32Å; V427-K431 WeakPolarHBondContact O-CB 3.48Å; V427-K431 PolarHBondContact O-N 2.88Å; V427-F500 HydrophobicContact CG2-CE2 3.79Å; V427-F500 HydrophobicContact CG2-CZ 3.57Å
428	L	91	Very high	83.1	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-72.3	-40	175.1	-63.5	177	0	0	0	111.7	L417 E424 N425 V426 I430 K431 K432	L417-L428 HydrophobicContact CB-CD1 4.41Å; L417-L428 HydrophobicContact CD1-CD2 3.97Å; L417-L428 HydrophobicContact CD1-CG 4.43Å; E424-L428 HydrophobicContact CG-CB 3.87Å; N425-L428 HydrophobicContact CB-CD1 4.19Å; N425-L428 HydrophobicContact CB-CG 4.26Å; N425-L428 WeakPolarHBondContact O-CA 3.23Å; N425-L428 WeakPolarHBondContact O-CB 3.49Å; N425-L428 PolarHBondContact O-N 3.5Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 2.7Å; L428-I430 VanDerWaalsContact C-N 3.3Å; L428-I430 PolarHBondContact O-N 3.42Å; L428-K431 HydrophobicContact CD2-CD 3.99Å; L428-K431 WeakPolarHBondContact O-CB 3.3Å; L428-K431 PolarHBondContact O-N 2.83Å; L428-K432 VanDerWaalsContact O-CB 3.23Å; L428-K432 WeakPolarHBondContact O-CB 2.98Å; L428-K432 PolarHBondContact O-N 2.85Å
429	Q	90.2	Very high	83.2	Confident	35 Å²	35	50.7 Å²	50.7	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-57.6	-43.4	171.9	-62.6	179.9	26.4	0	0	111.2	E424 N425 V426 F486 K489	E424-Q429 HydrophobicContact CB-CG 4.28Å; E424-Q429 HydrophobicContact CG-CG 4.11Å; E424-Q429 PolarHBondContact O-NE2 2.82Å; N425-Q429 PolarHBondContact O-N 3.18Å; V426-Q429 PolarHBondContact O-N 3.33Å; Q429-F486 HydrophobicContact CB-CD1 4.38Å; Q429-F486 HydrophobicContact CB-CE1 3.71Å; Q429-F486 HydrophobicContact CB-CZ 4.38Å; Q429-K489 VanDerWaalsContact OE1-NZ 3.11Å
430	I	89.6	Confident	83.6	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-50.9	176.1	-68.9	162.9	0	0	0	111.2	V426 L428 K432 I433 M434 F479 F486 L524	V426-I430 HydrophobicContact CG2-CD1 4.1Å; V426-I430 WeakPolarHBondContact O-CD1 3.42Å; V426-I430 VanDerWaalsContact O-CG1 3.28Å; V426-I430 WeakPolarHBondContact O-CG1 3.24Å; V426-I430 PolarHBondContact O-N 3.33Å; L428-I430 VanDerWaalsContact C-N 3.3Å; L428-I430 PolarHBondContact O-N 3.42Å; I430-K432 VanDerWaalsContact C-N 3.32Å; I430-K432 PolarHBondContact O-N 2.76Å; I430-I433 PolarHBondContact O-N 2.81Å; I430-M434 HydrophobicContact CG2-CE 3.79Å; I430-M434 HydrophobicContact CG2-CG 4.1Å; I430-M434 HydrophobicContact CG2-SD 3.68Å; I430-M434 WeakPolarHBondContact O-CG 3.41Å; I430-M434 PolarHBondContact O-N 3.47Å; I430-F479 HydrophobicContact CG2-CE2 4.39Å; I430-F486 HydrophobicContact CD1-CB 4.22Å; I430-F486 HydrophobicContact CG1-CB 4.17Å; I430-F486 HydrophobicContact CG1-CD1 4.26Å; I430-F486 HydrophobicContact CG1-CD2 4.13Å; I430-F486 HydrophobicContact CG1-CG 3.94Å; I430-L524 HydrophobicContact CD1-CD2 4.11Å
431	K	90.1	Very high	84.8	Confident	61 Å²	61	44.1 Å²	44.1	27%	0.265	24%	0.235	S	C	.	.	H	α-helix	trans	-48.6	-52.2	176	174.4	178	-163.1	175.2	0	111.3	A398 P402 E406 V427 L428 I433 M434 V435	A398-K431 WeakPolarHBondContact O-CG 3.49Å; P402-K431 HydrophobicContact CB-CD 3.81Å; P402-K431 HydrophobicContact CG-CB 3.97Å; P402-K431 HydrophobicContact CG-CD 3.8Å; P402-K431 HydrophobicContact CG-CG 4.1Å; E406-K431 IonicContact OE1-NZ 3.77Å; V427-K431 VanDerWaalsContact O-CB 3.32Å; V427-K431 WeakPolarHBondContact O-CB 3.48Å; V427-K431 PolarHBondContact O-N 2.88Å; L428-K431 HydrophobicContact CD2-CD 3.99Å; L428-K431 WeakPolarHBondContact O-CB 3.3Å; L428-K431 PolarHBondContact O-N 2.83Å; K431-I433 VanDerWaalsContact C-N 3.29Å; K431-I433 PolarHBondContact O-N 3.25Å; K431-M434 PolarHBondContact O-N 3.05Å; K431-V435 HydrophobicContact CG-CG2 4.38Å; K431-V435 WeakPolarHBondContact O-CB 3.23Å; K431-V435 VanDerWaalsContact O-CG2 3.26Å; K431-V435 WeakPolarHBondContact O-CG2 3.28Å; K431-V435 PolarHBondContact O-N 3.3Å
432	K	87.4	Confident	86.1	Confident	112 Å²	112	40.1 Å²	40.1	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-58.2	-32.9	-176.5	-171.4	175.9	-166.2	160.3	0	114.3	E424 L428 I430 Q436	E424-K432 IonicContact OE1-NZ 3.38Å; E424-K432 PolarHBondContact OE1-NZ 2.8Å; E424-K432 IonicContact OE2-NZ 3.63Å; E424-K432 PolarHBondContact OE2-NZ 2.93Å; L428-K432 VanDerWaalsContact O-CB 3.23Å; L428-K432 WeakPolarHBondContact O-CB 2.98Å; L428-K432 PolarHBondContact O-N 2.85Å; I430-K432 VanDerWaalsContact C-N 3.32Å; I430-K432 PolarHBondContact O-N 2.76Å; K432-Q436 WeakPolarHBondContact O-CG 3.28Å; K432-Q436 PolarHBondContact O-NE2 3Å
433	I	87.1	Confident	87	Confident	22 Å²	22	37 Å²	37	11%	0.113	18%	0.178	C	C	.	.	H	α-helix	trans	-89.8	-41.5	176.1	-54.5	-178.5	0	0	0	111.2	I430 K431 V435 Q436 I437 P478 F479 F486	I430-I433 PolarHBondContact O-N 2.81Å; K431-I433 VanDerWaalsContact C-N 3.29Å; K431-I433 PolarHBondContact O-N 3.25Å; I433-V435 VanDerWaalsContact C-N 3.3Å; I433-V435 PolarHBondContact O-N 2.96Å; I433-Q436 WeakPolarHBondContact O-CB 3.26Å; I433-Q436 PolarHBondContact O-N 3.33Å; I433-I437 HydrophobicContact CG2-CD1 4.14Å; I433-I437 PolarHBondContact O-N 2.66Å; I433-P478 HydrophobicContact CG2-CB 4.27Å; I433-F479 HydrophobicContact CG2-CB 3.77Å; I433-F486 HydrophobicContact CD1-CE2 3.99Å; I433-F486 HydrophobicContact CD1-CZ 3.71Å
434	M	89.2	Confident	88.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-32.9	179.9	-70.1	-170.3	169.5	0	0	113	Y393 L394 M397 A398 I430 K431 Q436 I437 L438 F479 L524 V527	Y393-M434 VanDerWaalsContact OH-CE 3.27Å; Y393-M434 WeakPolarHBondContact OH-CE 3.29Å; L394-M434 HydrophobicContact CD2-CB 4.5Å; L394-M434 HydrophobicContact CD2-CG 4.38Å; L394-M434 HydrophobicContact CD2-SD 4.43Å; M397-M434 HydrophobicContact CB-CE 3.99Å; M397-M434 HydrophobicContact CB-SD 3.38Å; M397-M434 WeakPolarHBondContact CB-SD 3.45Å; M397-M434 HydrophobicContact CE-CE 4.41Å; M397-M434 HydrophobicContact CG-SD 4.44Å; A398-M434 HydrophobicContact CB-CB 3.64Å; I430-M434 HydrophobicContact CG2-CE 3.79Å; I430-M434 HydrophobicContact CG2-CG 4.1Å; I430-M434 HydrophobicContact CG2-SD 3.68Å; I430-M434 WeakPolarHBondContact O-CG 3.41Å; I430-M434 PolarHBondContact O-N 3.47Å; K431-M434 PolarHBondContact O-N 3.05Å; M434-Q436 PolarHBondContact O-N 2.9Å; M434-I437 PolarHBondContact O-N 2.85Å; M434-I437 VanDerWaalsContact O-N 3.13Å; M434-L438 WeakPolarHBondContact O-CB 3.46Å; M434-L438 PolarHBondContact O-N 3.35Å; M434-F479 HydrophobicContact CE-CD2 4.31Å; M434-F479 HydrophobicContact CE-CE2 3.57Å; M434-F479 HydrophobicContact CE-CZ 3.77Å; M434-F479 HydrophobicContact CG-CD2 4.42Å; M434-F479 HydrophobicContact CG-CE2 4.48Å; M434-L524 HydrophobicContact CE-CD2 4.22Å; M434-V527 HydrophobicContact CE-CG2 4.34Å
435	V	84.9	Confident	88.7	Confident	71 Å²	71	28.3 Å²	28.3	43%	0.43	14%	0.139	S	C	.	.	H	α-helix	trans	-63.9	-20.7	171.9	171.1	0	0	0	0	112.6	A398 K431 I433 P439	A398-V435 HydrophobicContact CB-CG2 4.07Å; K431-V435 HydrophobicContact CG-CG2 4.38Å; K431-V435 WeakPolarHBondContact O-CB 3.23Å; K431-V435 VanDerWaalsContact O-CG2 3.26Å; K431-V435 WeakPolarHBondContact O-CG2 3.28Å; K431-V435 PolarHBondContact O-N 3.3Å; I433-V435 VanDerWaalsContact C-N 3.3Å; I433-V435 PolarHBondContact O-N 2.96Å; V435-P439 WeakPolarHBondContact O-CD 3.48Å; V435-P439 VanDerWaalsContact O-CG 3.26Å; V435-P439 WeakPolarHBondContact O-CG 3.31Å
436	Q	82.1	Confident	88.8	Confident	117 Å²	117	30.4 Å²	30.4	55%	0.547	15%	0.148	S	C	.	.	H	α-helix	trans	-84.2	-29.5	173.1	-59	172	27.4	0	0	112.3	K432 I433 M434	K432-Q436 WeakPolarHBondContact O-CG 3.28Å; K432-Q436 PolarHBondContact O-NE2 3Å; I433-Q436 WeakPolarHBondContact O-CB 3.26Å; I433-Q436 PolarHBondContact O-N 3.33Å; M434-Q436 PolarHBondContact O-N 2.9Å
437	I	87.1	Confident	88.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-81.2	-46.7	-179.6	-62.9	168.1	0	0	0	110.9	L394 I433 M434 P439 I440 H441 C475 F479	L394-I437 HydrophobicContact CD1-CG2 3.85Å; L394-I437 HydrophobicContact CD2-CG2 4.41Å; I433-I437 HydrophobicContact CG2-CD1 4.14Å; I433-I437 PolarHBondContact O-N 2.66Å; M434-I437 PolarHBondContact O-N 2.85Å; M434-I437 VanDerWaalsContact O-N 3.13Å; I437-P439 VanDerWaalsContact C-N 3.33Å; I437-I440 PolarHBondContact O-N 2.58Å; I437-I440 VanDerWaalsContact O-N 3.07Å; I437-H441 PolarHBondContact O-CD2 2.88Å; I437-H441 PolarHBondContact O-N 3.43Å; I437-C475 WeakPolarHBondContact CG1-O 3.49Å; I437-F479 HydrophobicContact CD1-CB 3.77Å; I437-F479 HydrophobicContact CD1-CG 4.5Å
438	L	88.1	Confident	88.9	Confident	16 Å²	16	30.8 Å²	30.8	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-46.5	-46.9	-178.5	173.6	64.5	0	0	0	113.5	V391 L394 K395 M434 I440 H441 E442	V391-L438 HydrophobicContact CG1-CD1 4.22Å; L394-L438 HydrophobicContact CB-CB 4.25Å; L394-L438 HydrophobicContact CB-CD1 3.8Å; L394-L438 HydrophobicContact CD1-CB 4.36Å; L394-L438 HydrophobicContact CD1-CD1 4.47Å; K395-L438 HydrophobicContact CG-CD1 3.86Å; K395-L438 HydrophobicContact CG-CD2 3.93Å; M434-L438 WeakPolarHBondContact O-CB 3.46Å; M434-L438 PolarHBondContact O-N 3.35Å; L438-I440 PolarHBondContact O-N 2.93Å; L438-H441 PolarHBondContact O-N 2.96Å; L438-H441 VanDerWaalsContact O-N 3.13Å; L438-E442 HydrophobicContact CD1-CG 3.71Å; L438-E442 HydrophobicContact CG-CG 4.23Å; L438-E442 PolarHBondContact O-N 3.48Å
439	P	82.9	Confident	89.1	Confident	10 Å²	10	32.4 Å²	32.4	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-44.2	-52.2	173.2	-37.6	39.1	0	0	0	116.3	F28 L32 V435 I437 H441 E442 M443 I816	F28-P439 VanDerWaalsContact CE1-CA 3.47Å; F28-P439 HydrophobicContact CE1-CB 3.81Å; F28-P439 HydrophobicContact CE1-CG 4.47Å; F28-P439 WeakPolarHBondContact CE1-O 3.45Å; F28-P439 HydrophobicContact CZ-CB 4.37Å; L32-P439 HydrophobicContact CD1-CB 3.97Å; L32-P439 HydrophobicContact CD1-CG 3.87Å; L32-P439 HydrophobicContact CD2-CG 4.05Å; V435-P439 WeakPolarHBondContact O-CD 3.48Å; V435-P439 VanDerWaalsContact O-CG 3.26Å; V435-P439 WeakPolarHBondContact O-CG 3.31Å; I437-P439 VanDerWaalsContact C-N 3.33Å; P439-H441 VanDerWaalsContact C-N 3.28Å; P439-H441 PolarHBondContact O-N 2.75Å; P439-E442 PolarHBondContact O-N 3.47Å; P439-M443 WeakPolarHBondContact O-CB 3.44Å; P439-M443 VanDerWaalsContact O-CG 3.28Å; P439-M443 WeakPolarHBondContact O-CG 3.46Å; P439-M443 PolarHBondContact O-N 2.68Å; P439-I816 HydrophobicContact CB-CD1 4.29Å
440	I	86.3	Confident	89.1	Confident	14 Å²	14	33.3 Å²	33.3	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-71.4	-30.3	-173.6	-68.3	163.8	0	0	0	110.2	I437 L438 L444 F469 F472 C475 I816	I437-I440 PolarHBondContact O-N 2.58Å; I437-I440 VanDerWaalsContact O-N 3.07Å; L438-I440 PolarHBondContact O-N 2.93Å; I440-L444 WeakPolarHBondContact O-CB 3.3Å; I440-L444 PolarHBondContact O-N 3.18Å; I440-F469 HydrophobicContact CG2-CD1 4.31Å; I440-F472 HydrophobicContact CG2-CB 3.87Å; I440-C475 HydrophobicContact CD1-CB 3.5Å; I440-C475 VanDerWaalsContact CD1-CB 3.5Å; I440-I816 HydrophobicContact CD1-CD1 4.37Å; I440-I816 HydrophobicContact CD1-CG2 4.29Å; I440-I816 HydrophobicContact CG1-CD1 3.87Å; I440-I816 HydrophobicContact CG1-CG2 4.24Å
441	H	91.8	Very high	89.3	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-82.7	-31.4	176.8	-70.2	-91.4	0	0	0	113.2	Q387 Y390 V391 L394 I437 L438 P439 L444 L445 Y534	Q387-H441 VanDerWaalsContact NE2-CA 3.33Å; Q387-H441 PolarHBondContact NE2-ND1 3.5Å; Q387-H441 PolarHBondContact NE2-O 2.98Å; Y390-H441 HydrophobicContact CD1-CB 4.21Å; Y390-H441 AromaticContact CD1-CG 3.83Å; Y390-H441 AromaticContact CD1-ND1 3.49Å; Y390-H441 WeakPolarHBondContact CD1-ND1 3.36Å; Y390-H441 HydrophobicContact CE1-CB 4.29Å; Y390-H441 AromaticContact CE1-CD2 3.87Å; Y390-H441 AromaticContact CE1-CE1 3.56Å; Y390-H441 AromaticContact CE1-CG 3.57Å; Y390-H441 AromaticContact CE1-ND1 3.37Å; Y390-H441 WeakPolarHBondContact CE1-ND1 3.49Å; Y390-H441 AromaticContact CE1-NE2 3.84Å; V391-H441 VanDerWaalsContact CG2-C 3.49Å; V391-H441 HydrophobicContact CG2-CB 3.91Å; V391-H441 VanDerWaalsContact CG2-O 3.31Å; V391-H441 WeakPolarHBondContact CG2-O 3.2Å; L394-H441 HydrophobicContact CD1-CB 4.18Å; I437-H441 PolarHBondContact O-CD2 2.88Å; I437-H441 PolarHBondContact O-N 3.43Å; L438-H441 PolarHBondContact O-N 2.96Å; L438-H441 VanDerWaalsContact O-N 3.13Å; P439-H441 VanDerWaalsContact C-N 3.28Å; P439-H441 PolarHBondContact O-N 2.75Å; H441-L444 PolarHBondContact O-N 2.82Å; H441-L445 WeakPolarHBondContact O-CB 3.39Å; H441-L445 PolarHBondContact O-N 2.92Å; H441-Y534 PolarHBondContact CE1-OH 2.77Å; H441-Y534 PolarHBondContact ND1-OH 2.98Å
442	E	91.4	Very high	89.3	Confident	42 Å²	42	32.2 Å²	32.2	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-38.7	167.9	-71.8	-162.3	95.1	0	0	111.7	F28 V391 K395 L438 P439 L445 K446	F28-E442 HydrophobicContact CD2-CB 4.43Å; F28-E442 HydrophobicContact CE1-CB 4.47Å; F28-E442 HydrophobicContact CE2-CB 3.74Å; F28-E442 HydrophobicContact CE2-CG 4.27Å; F28-E442 WeakPolarHBondContact CE2-OE2 3.26Å; F28-E442 HydrophobicContact CZ-CB 3.77Å; F28-E442 HydrophobicContact CZ-CG 4.32Å; F28-E442 WeakPolarHBondContact CZ-OE2 3.33Å; V391-E442 HydrophobicContact CG1-CG 3.73Å; V391-E442 HydrophobicContact CG2-CG 4.38Å; K395-E442 VanDerWaalsContact CE-CD 3.44Å; K395-E442 WeakPolarHBondContact CE-OE1 3.47Å; K395-E442 IonicContact NZ-OE1 2.9Å; K395-E442 PolarHBondContact NZ-OE1 3.2Å; L438-E442 HydrophobicContact CD1-CG 3.71Å; L438-E442 HydrophobicContact CG-CG 4.23Å; L438-E442 PolarHBondContact O-N 3.48Å; P439-E442 PolarHBondContact O-N 3.47Å; E442-L445 PolarHBondContact O-N 3.39Å; E442-K446 PolarHBondContact O-N 2.79Å
443	M	85.4	Confident	89.3	Confident	3 Å²	3	31 Å²	31	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-50.7	170.7	-75.3	179	166.4	0	0	112	M25 F28 P439 L445 K446 E447 F469 I816	M25-M443 HydrophobicContact CB-CE 4.01Å; M25-M443 HydrophobicContact CE-CB 3.8Å; M25-M443 HydrophobicContact CE-CG 4.03Å; M25-M443 HydrophobicContact CE-SD 3.83Å; M25-M443 HydrophobicContact CG-CE 3.92Å; M25-M443 HydrophobicContact CG-CG 4.03Å; M25-M443 HydrophobicContact CG-SD 4.08Å; M25-M443 HydrophobicContact SD-CE 4.21Å; M25-M443 HydrophobicContact SD-SD 4.02Å; F28-M443 HydrophobicContact CD1-CE 4.01Å; F28-M443 HydrophobicContact CD1-CG 3.91Å; F28-M443 HydrophobicContact CE1-CG 4.41Å; P439-M443 WeakPolarHBondContact O-CB 3.44Å; P439-M443 VanDerWaalsContact O-CG 3.28Å; P439-M443 WeakPolarHBondContact O-CG 3.46Å; P439-M443 PolarHBondContact O-N 2.68Å; M443-L445 VanDerWaalsContact C-N 3.29Å; M443-L445 PolarHBondContact O-N 3.15Å; M443-K446 PolarHBondContact O-N 3.24Å; M443-E447 PolarHBondContact O-N 3.46Å; M443-F469 HydrophobicContact CB-CE1 3.84Å; M443-F469 HydrophobicContact CB-CZ 4.08Å; M443-I816 HydrophobicContact CE-CD1 4.4Å; M443-I816 HydrophobicContact SD-CD1 4.48Å
444	L	92.1	Very high	89.4	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-33	178.6	176.2	56.4	0	0	0	112.4	Q387 I440 H441 E447 I448 T465 I466 F469 Y534	Q387-L444 HydrophobicContact CG-CG 4.45Å; I440-L444 WeakPolarHBondContact O-CB 3.3Å; I440-L444 PolarHBondContact O-N 3.18Å; H441-L444 PolarHBondContact O-N 2.82Å; L444-E447 PolarHBondContact O-N 3.18Å; L444-I448 HydrophobicContact CD1-CD1 3.67Å; L444-I448 HydrophobicContact CD1-CG1 3.93Å; L444-I448 HydrophobicContact CG-CD1 3.77Å; L444-I448 HydrophobicContact CG-CG1 4.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.41Å; L444-I448 PolarHBondContact O-N 3.37Å; L444-T465 HydrophobicContact CD1-CG2 4.25Å; L444-I466 HydrophobicContact CD1-CD1 4.17Å; L444-F469 HydrophobicContact CB-CD1 3.71Å; L444-F469 HydrophobicContact CB-CE1 3.71Å; L444-F469 HydrophobicContact CB-CG 4.13Å; L444-F469 HydrophobicContact CB-CZ 4.13Å; L444-F469 HydrophobicContact CD1-CB 3.95Å; L444-F469 HydrophobicContact CD1-CD1 4.2Å; L444-F469 HydrophobicContact CD1-CD2 3.71Å; L444-F469 HydrophobicContact CD1-CE2 4.16Å; L444-F469 HydrophobicContact CD1-CG 3.7Å; L444-F469 HydrophobicContact CD2-CB 4.25Å; L444-F469 HydrophobicContact CD2-CG 4.45Å; L444-F469 HydrophobicContact CG-CD1 4.35Å; L444-F469 HydrophobicContact CG-CG 4.3Å; L444-Y534 HydrophobicContact CD2-CE1 3.9Å
445	L	94.3	Very high	89.4	Confident	29 Å²	29	36.6 Å²	36.6	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-49.6	174.7	-179.1	56	0	0	0	111.5	L384 Q387 N388 V391 H441 E442 M443 E447 I448 D449	L384-L445 HydrophobicContact CD1-CD1 3.79Å; Q387-L445 HydrophobicContact CB-CD1 4.08Å; Q387-L445 HydrophobicContact CG-CB 3.76Å; Q387-L445 HydrophobicContact CG-CD1 3.87Å; Q387-L445 HydrophobicContact CG-CG 4.39Å; N388-L445 HydrophobicContact CB-CD1 3.99Å; V391-L445 HydrophobicContact CB-CD2 4.06Å; V391-L445 HydrophobicContact CG1-CD2 4.05Å; V391-L445 HydrophobicContact CG2-CB 4.16Å; V391-L445 HydrophobicContact CG2-CD2 4.05Å; H441-L445 WeakPolarHBondContact O-CB 3.39Å; H441-L445 PolarHBondContact O-N 2.92Å; E442-L445 PolarHBondContact O-N 3.39Å; M443-L445 VanDerWaalsContact C-N 3.29Å; M443-L445 PolarHBondContact O-N 3.15Å; L445-E447 PolarHBondContact O-N 3.2Å; L445-I448 PolarHBondContact O-N 2.68Å; L445-D449 WeakPolarHBondContact O-CB 3.27Å; L445-D449 PolarHBondContact O-N 3.47Å
446	K	91.8	Very high	89.5	Confident	48 Å²	48	35.1 Å²	35.1	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-34.1	178.1	-64.9	-173.7	-172.5	-171.1	0	113	M24 E27 E442 M443 K450	M24-K446 HydrophobicContact CB-CD 3.88Å; M24-K446 HydrophobicContact CE-CB 3.89Å; M24-K446 HydrophobicContact CG-CD 4.48Å; M24-K446 PolarHBondContact O-NZ 3.4Å; M24-K446 HydrophobicContact SD-CB 4.12Å; M24-K446 HydrophobicContact SD-CD 4.18Å; E27-K446 IonicContact OE1-NZ 2.97Å; E442-K446 PolarHBondContact O-N 2.79Å; M443-K446 PolarHBondContact O-N 3.24Å; K446-K450 VanDerWaalsContact O-CB 3.28Å; K446-K450 WeakPolarHBondContact O-CB 3.42Å; K446-K450 PolarHBondContact O-N 2.81Å
447	E	91.3	Very high	89.9	Confident	16 Å²	16	29.6 Å²	29.6	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-76.7	-40	-179.4	-71.2	-59.2	124.9	0	0	112.9	V21 M24 M443 L444 L445 V451 T465 F469	V21-E447 VanDerWaalsContact CA-OE1 3.26Å; V21-E447 WeakPolarHBondContact CA-OE1 3.34Å; V21-E447 WeakPolarHBondContact CB-OE1 3.29Å; V21-E447 VanDerWaalsContact CG1-CD 3.44Å; V21-E447 HydrophobicContact CG1-CG 4Å; V21-E447 WeakPolarHBondContact CG1-OE1 3.3Å; V21-E447 VanDerWaalsContact CG2-CD 3.46Å; V21-E447 WeakPolarHBondContact CG2-OE1 3.19Å; V21-E447 WeakPolarHBondContact CG2-OE2 3.47Å; M24-E447 WeakPolarHBondContact CE-OE1 3.35Å; M443-E447 PolarHBondContact O-N 3.46Å; L444-E447 PolarHBondContact O-N 3.18Å; L445-E447 PolarHBondContact O-N 3.2Å; E447-V451 WeakPolarHBondContact O-CG2 3.19Å; E447-V451 PolarHBondContact O-N 3.2Å; E447-T465 HydrophobicContact CB-CG2 3.72Å; E447-F469 HydrophobicContact CB-CE2 4.16Å; E447-F469 HydrophobicContact CG-CE2 3.93Å; E447-F469 HydrophobicContact CG-CZ 4.11Å
448	I	93.5	Very high	89.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-42.6	171.4	-66.4	165.7	0	0	0	110	F383 L384 Q387 L444 L445 V451 C452 M462 T465 I466	F383-I448 HydrophobicContact CB-CD1 4.29Å; F383-I448 HydrophobicContact CB-CG2 3.9Å; L384-I448 HydrophobicContact CB-CG2 3.85Å; L384-I448 HydrophobicContact CD1-CG2 4.22Å; Q387-I448 HydrophobicContact CB-CD1 3.97Å; Q387-I448 HydrophobicContact CG-CD1 4.01Å; L444-I448 HydrophobicContact CD1-CD1 3.67Å; L444-I448 HydrophobicContact CD1-CG1 3.93Å; L444-I448 HydrophobicContact CG-CD1 3.77Å; L444-I448 HydrophobicContact CG-CG1 4.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.41Å; L444-I448 PolarHBondContact O-N 3.37Å; L445-I448 PolarHBondContact O-N 2.68Å; I448-V451 PolarHBondContact O-N 3.5Å; I448-C452 WeakPolarHBondContact O-CB 3.47Å; I448-C452 PolarHBondContact O-N 2.89Å; I448-C452 PolarHBondContact O-SG 2.84Å; I448-C452 VanDerWaalsContact O-SG 3.36Å; I448-M462 HydrophobicContact CG1-SD 4.22Å; I448-M462 HydrophobicContact CG2-CE 4.05Å; I448-M462 HydrophobicContact CG2-SD 4.37Å; I448-T465 HydrophobicContact CG1-CG2 4.21Å; I448-I466 HydrophobicContact CD1-CD1 3.8Å; I448-I466 HydrophobicContact CG1-CD1 3.99Å
449	D	93.7	Very high	89.8	Confident	79 Å²	79	43.1 Å²	43.1	42%	0.422	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-43.5	177.1	-173.4	61.7	0	0	0	112.1	L384 L445 V451 C452 S453	L384-D449 HydrophobicContact CD1-CB 3.87Å; L445-D449 WeakPolarHBondContact O-CB 3.27Å; L445-D449 PolarHBondContact O-N 3.47Å; D449-V451 PolarHBondContact O-N 3.4Å; D449-C452 PolarHBondContact O-N 2.91Å; D449-S453 VanDerWaalsContact O-CB 3.3Å; D449-S453 WeakPolarHBondContact O-CB 3.42Å; D449-S453 PolarHBondContact O-N 3.22Å; D449-S453 PolarHBondContact O-OG 2.92Å
450	K	91.6	Very high	90.2	Very high	54 Å²	54	43.9 Å²	43.9	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-39.4	173.1	-179.5	170.6	-175.8	171.8	0	112.6	S18 R19 M24 K446 N454	S18-K450 PolarHBondContact OG-NZ 3Å; R19-K450 PolarHBondContact O-NZ 3.11Å; M24-K450 HydrophobicContact CE-CB 4.22Å; M24-K450 HydrophobicContact CE-CD 4.11Å; K446-K450 VanDerWaalsContact O-CB 3.28Å; K446-K450 WeakPolarHBondContact O-CB 3.42Å; K446-K450 PolarHBondContact O-N 2.81Å; K450-N454 PolarHBondContact O-ND2 2.93Å
451	V	92.5	Very high	90.5	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-49.9	174.8	160.9	0	0	0	0	110.9	E447 I448 D449 S453 N454 W455 N461 M462	E447-V451 WeakPolarHBondContact O-CG2 3.19Å; E447-V451 PolarHBondContact O-N 3.2Å; I448-V451 PolarHBondContact O-N 3.5Å; D449-V451 PolarHBondContact O-N 3.4Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 3.34Å; V451-N454 CarbonylContact O-C 3.29Å; V451-N454 PolarHBondContact O-N 3.31Å; V451-N454 VanDerWaalsContact O-N 3.17Å; V451-W455 HydrophobicContact CG1-CE3 3.61Å; V451-W455 HydrophobicContact CG1-CZ3 3.58Å; V451-W455 PolarHBondContact O-N 3.25Å; V451-N461 VanDerWaalsContact CG1-OD1 3.25Å; V451-N461 WeakPolarHBondContact CG1-OD1 3.47Å; V451-M462 HydrophobicContact CB-CE 4.29Å; V451-M462 HydrophobicContact CG1-CE 3.49Å; V451-M462 VanDerWaalsContact CG1-CE 3.49Å; V451-M462 HydrophobicContact CG1-SD 4.02Å
452	C	90.4	Very high	90.6	Very high	25 Å²	25	46.3 Å²	46.3	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-34.3	179.5	-70.6	0	0	0	0	113	L384 I448 D449 N454 W455	L384-C452 HydrophobicContact CD2-CB 3.91Å; I448-C452 WeakPolarHBondContact O-CB 3.47Å; I448-C452 PolarHBondContact O-N 2.89Å; I448-C452 PolarHBondContact O-SG 2.84Å; I448-C452 VanDerWaalsContact O-SG 3.36Å; D449-C452 PolarHBondContact O-N 2.91Å; C452-N454 PolarHBondContact O-N 3.09Å; C452-W455 VanDerWaalsContact O-CB 3.31Å; C452-W455 WeakPolarHBondContact O-CB 3.33Å; C452-W455 PolarHBondContact O-N 2.92Å
453	S	88.9	Confident	90.7	Very high	85 Å²	85	44.4 Å²	44.4	59%	0.594	22%	0.219	S	C	*	.	H	α-helix	trans	-66	-22.4	176.2	-63.1	0	0	0	0	114	D449 V451	D449-S453 VanDerWaalsContact O-CB 3.3Å; D449-S453 WeakPolarHBondContact O-CB 3.42Å; D449-S453 PolarHBondContact O-N 3.22Å; D449-S453 PolarHBondContact O-OG 2.92Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 3.34Å
454	N	88.4	Confident	90.9	Very high	112 Å²	112	51.7 Å²	51.7	60%	0.599	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	34.1	-179.4	-58.3	-85.2	0	0	0	110.7	K450 V451 C452	K450-N454 PolarHBondContact O-ND2 2.93Å; V451-N454 CarbonylContact O-C 3.29Å; V451-N454 PolarHBondContact O-N 3.31Å; V451-N454 VanDerWaalsContact O-N 3.17Å; C452-N454 PolarHBondContact O-N 3.09Å
455	W	89.1	Confident	90.9	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.11	25%	0.254	C	S	.	.			trans	-83.9	122.8	-169.3	-172	-87.9	0	0	0	113.8	L376 H377 A380 V451 C452 S457 P460 M462 Y541	L376-W455 HydrophobicContact CG-CZ2 4.4Å; H377-W455 AromaticContact ND1-CD1 3.36Å; H377-W455 AromaticContact ND1-NE1 3.86Å; A380-W455 HydrophobicContact CB-CD2 3.9Å; A380-W455 HydrophobicContact CB-CE3 3.96Å; A380-W455 HydrophobicContact CB-CH2 3.71Å; A380-W455 HydrophobicContact CB-CZ2 3.61Å; A380-W455 HydrophobicContact CB-CZ3 3.87Å; V451-W455 HydrophobicContact CG1-CE3 3.61Å; V451-W455 HydrophobicContact CG1-CZ3 3.58Å; V451-W455 PolarHBondContact O-N 3.25Å; C452-W455 VanDerWaalsContact O-CB 3.31Å; C452-W455 WeakPolarHBondContact O-CB 3.33Å; C452-W455 PolarHBondContact O-N 2.92Å; W455-S457 PolarHBondContact NE1-OG 3Å; W455-P460 HydrophobicContact CH2-CB 3.97Å; W455-P460 HydrophobicContact CZ2-CB 4.08Å; W455-M462 HydrophobicContact CH2-CB 4.27Å; W455-M462 HydrophobicContact CZ3-CB 4.12Å; W455-M462 HydrophobicContact CZ3-CE 4.33Å; W455-Y541 AromaticContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CZ2-CE2 4.16Å
456	D	87.6	Confident	90.8	Very high	39 Å²	39	51.1 Å²	51.1	21%	0.209	25%	0.248	C	C	.	.			trans	-122.7	127.3	156.7	-170.4	-10.3	0	0	0	109.1	Y362 R458 Y459	Y362-D456 WeakPolarHBondContact CE1-OD1 3.33Å; D456-R458 PolarHBondContact O-N 3.32Å; D456-R458 WeakPolarHBondContact OD1-CB 3.49Å; D456-R458 WeakPolarHBondContact OD1-CG 3.43Å; D456-R458 PolarHBondContact OD1-N 2.83Å; D456-R458 IonicContact OD2-NH1 3.89Å; D456-Y459 HydrophobicContact CB-CD2 4.19Å; D456-Y459 CarbonylContact O-C 3.29Å; D456-Y459 VanDerWaalsContact O-C 3.24Å; D456-Y459 PolarHBondContact O-N 3Å
457	S	88.9	Confident	90.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.4	174.9	-67.7	0	0	0	0	112.8	Y362 L373 H377 W455 Y459 P460	Y362-S457 PolarHBondContact OH-OG 3.23Å; Y362-S457 VanDerWaalsContact OH-OG 3.13Å; L373-S457 WeakPolarHBondContact CD2-O 3.26Å; L373-S457 WeakPolarHBondContact O-CB 3.46Å; L373-S457 PolarHBondContact O-OG 3.41Å; H377-S457 PolarHBondContact N-OG 3.44Å; W455-S457 PolarHBondContact NE1-OG 3Å; S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-P460 WeakPolarHBondContact O-CD 3.46Å
458	R	85.3	Confident	90.6	Very high	127 Å²	127	51.9 Å²	51.9	48%	0.479	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-25	169.4	-57.1	175.2	-174.7	137.1	-10.3	112.3	Y362 L373 D456 P460	Y362-R458 HydrophobicContact CD1-CG 4.23Å; Y362-R458 PolarHBondContact O-NH2 3.18Å; L373-R458 HydrophobicContact CD1-CG 4.41Å; D456-R458 PolarHBondContact O-N 3.32Å; D456-R458 WeakPolarHBondContact OD1-CB 3.49Å; D456-R458 WeakPolarHBondContact OD1-CG 3.43Å; D456-R458 PolarHBondContact OD1-N 2.83Å; D456-R458 IonicContact OD2-NH1 3.89Å; R458-P460 WeakPolarHBondContact O-CD 3.19Å
459	Y	88.8	Confident	90.5	Very high	173 Å²	173	52.2 Å²	52.2	68%	0.678	26%	0.262	S	S	*	.	S	Bend	trans	-127.9	57.6	-178.8	-56.1	-69.4	0	0	0	112.1	D456 S457	D456-Y459 HydrophobicContact CB-CD2 4.19Å; D456-Y459 CarbonylContact O-C 3.29Å; D456-Y459 VanDerWaalsContact O-C 3.24Å; D456-Y459 PolarHBondContact O-N 3Å; S457-Y459 VanDerWaalsContact C-N 3.31Å
460	P	90.7	Very high	90.3	Very high	26 Å²	26	48.4 Å²	48.4	17%	0.169	24%	0.242	C	C	.	.			trans	-67.5	141.6	-171.7	30.6	-35.9	0	0	0	112.1	L376 W455 S457 R458 Y541 L545 E551	L376-P460 HydrophobicContact CD2-CB 4.09Å; L376-P460 HydrophobicContact CD2-CG 4.24Å; W455-P460 HydrophobicContact CH2-CB 3.97Å; W455-P460 HydrophobicContact CZ2-CB 4.08Å; S457-P460 WeakPolarHBondContact O-CD 3.46Å; R458-P460 WeakPolarHBondContact O-CD 3.19Å; P460-Y541 WeakPolarHBondContact CB-OH 3.43Å; P460-L545 HydrophobicContact CB-CD2 3.95Å; P460-L545 HydrophobicContact CG-CD2 3.66Å; P460-E551 HydrophobicContact CB-CG 4.06Å; P460-E551 HydrophobicContact CG-CB 4.27Å; P460-E551 HydrophobicContact CG-CG 4.02Å; P460-E551 WeakPolarHBondContact O-CG 3.39Å
461	N	92.4	Very high	89.8	Confident	65 Å²	65	50.2 Å²	50.2	35%	0.348	25%	0.254	S	S	.	.			trans	-148.5	10.5	-170.8	61.9	36	0	0	0	116	V451 S463 Y541 E551	V451-N461 VanDerWaalsContact CG1-OD1 3.25Å; V451-N461 WeakPolarHBondContact CG1-OD1 3.47Å; N461-S463 VanDerWaalsContact C-N 3.31Å; N461-S463 PolarHBondContact O-N 3.34Å; N461-Y541 PolarHBondContact N-OH 2.76Å; N461-E551 WeakPolarHBondContact CA-OE1 3.46Å; N461-E551 PolarHBondContact N-OE1 2.85Å
462	M	94.2	Very high	89.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-31.1	-178.1	-171.2	62.5	74.7	0	0	113.4	A380 F383 I448 V451 W455 K464 T465 I466 Y541 E551	A380-M462 HydrophobicContact CB-CE 4.18Å; F383-M462 HydrophobicContact CB-CE 4.33Å; F383-M462 HydrophobicContact CB-SD 4.5Å; F383-M462 HydrophobicContact CD2-CE 4.41Å; F383-M462 HydrophobicContact CD2-CG 3.89Å; F383-M462 HydrophobicContact CD2-SD 4.41Å; F383-M462 HydrophobicContact CE2-CG 3.9Å; F383-M462 HydrophobicContact CG-CG 4.39Å; F383-M462 HydrophobicContact CG-SD 4.44Å; F383-M462 HydrophobicContact CZ-CG 4.41Å; I448-M462 HydrophobicContact CG1-SD 4.22Å; I448-M462 HydrophobicContact CG2-CE 4.05Å; I448-M462 HydrophobicContact CG2-SD 4.37Å; V451-M462 HydrophobicContact CB-CE 4.29Å; V451-M462 HydrophobicContact CG1-CE 3.49Å; V451-M462 VanDerWaalsContact CG1-CE 3.49Å; V451-M462 HydrophobicContact CG1-SD 4.02Å; W455-M462 HydrophobicContact CH2-CB 4.27Å; W455-M462 HydrophobicContact CZ3-CB 4.12Å; W455-M462 HydrophobicContact CZ3-CE 4.33Å; M462-K464 VanDerWaalsContact C-N 3.29Å; M462-K464 PolarHBondContact O-N 3.22Å; M462-T465 PolarHBondContact O-N 2.8Å; M462-T465 VanDerWaalsContact O-N 3.12Å; M462-I466 HydrophobicContact CG-CG1 3.99Å; M462-I466 PolarHBondContact O-N 3.03Å; M462-I466 VanDerWaalsContact O-N 3.16Å; M462-I466 HydrophobicContact SD-CD1 4.28Å; M462-I466 HydrophobicContact SD-CG1 4.21Å; M462-Y541 HydrophobicContact CB-CE1 4.14Å; M462-Y541 HydrophobicContact CB-CE2 3.82Å; M462-Y541 WeakPolarHBondContact CB-OH 3.46Å; M462-Y541 PolarHBondContact N-OH 2.97Å; M462-Y541 VanDerWaalsContact N-OH 3.08Å; M462-E551 PolarHBondContact N-OE1 3.09Å
463	S	94.2	Very high	89.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-43.2	-175.7	-65.9	0	0	0	0	112.6	N461 T465 G467 Y541 E551 K554 A555	N461-S463 VanDerWaalsContact C-N 3.31Å; N461-S463 PolarHBondContact O-N 3.34Å; S463-T465 PolarHBondContact O-N 3.43Å; S463-G467 WeakPolarHBondContact O-CA 3.35Å; S463-G467 PolarHBondContact O-N 3.05Å; S463-Y541 WeakPolarHBondContact OG-CE1 3.24Å; S463-E551 VanDerWaalsContact CB-OE1 3.27Å; S463-E551 WeakPolarHBondContact CB-OE1 3.47Å; S463-E551 WeakPolarHBondContact CB-OE2 3.21Å; S463-E551 PolarHBondContact N-OE1 2.99Å; S463-E551 PolarHBondContact OG-O 2.92Å; S463-E551 PolarHBondContact OG-OE1 3.49Å; S463-K554 VanDerWaalsContact CB-C 3.5Å; S463-A555 WeakPolarHBondContact OG-CA 3.39Å; S463-A555 VanDerWaalsContact OG-CB 3.27Å; S463-A555 WeakPolarHBondContact OG-CB 3.25Å; S463-A555 PolarHBondContact OG-N 2.86Å
464	K	90.4	Very high	89	Confident	156 Å²	156	51.6 Å²	51.6	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-40.4	179.7	-176	177.3	179.7	178.2	0	112.3	M462 T468	M462-K464 VanDerWaalsContact C-N 3.29Å; M462-K464 PolarHBondContact O-N 3.22Å; K464-T468 WeakPolarHBondContact O-CB 3.37Å; K464-T468 PolarHBondContact O-N 2.86Å; K464-T468 VanDerWaalsContact O-N 3.09Å; K464-T468 PolarHBondContact O-OG1 2.9Å
465	T	91.3	Very high	88.7	Confident	16 Å²	16	47.7 Å²	47.7	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-57.5	178.5	-67.6	0	0	0	0	110.4	L444 E447 I448 M462 S463 G467 T468 F469	L444-T465 HydrophobicContact CD1-CG2 4.25Å; E447-T465 HydrophobicContact CB-CG2 3.72Å; I448-T465 HydrophobicContact CG1-CG2 4.21Å; M462-T465 PolarHBondContact O-N 2.8Å; M462-T465 VanDerWaalsContact O-N 3.12Å; S463-T465 PolarHBondContact O-N 3.43Å; T465-G467 PolarHBondContact O-N 3.33Å; T465-T468 WeakPolarHBondContact O-CB 3.36Å; T465-T468 PolarHBondContact O-N 3.24Å; T465-T468 VanDerWaalsContact O-N 3.15Å; T465-F469 WeakPolarHBondContact O-CD2 3.42Å; T465-F469 PolarHBondContact O-N 3.21Å
466	I	93	Very high	88.5	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-41.7	-177.8	-54.5	-58.8	0	0	0	111.4	F383 L444 I448 M462 T468 F469 A470 M538 L562	F383-I466 HydrophobicContact CD1-CD1 3.61Å; F383-I466 HydrophobicContact CD1-CG1 4.01Å; F383-I466 HydrophobicContact CE1-CD1 3.73Å; F383-I466 HydrophobicContact CE1-CG1 3.65Å; F383-I466 HydrophobicContact CE1-CG2 4.37Å; F383-I466 HydrophobicContact CG-CD1 4.4Å; F383-I466 HydrophobicContact CZ-CG1 4.1Å; L444-I466 HydrophobicContact CD1-CD1 4.17Å; I448-I466 HydrophobicContact CD1-CD1 3.8Å; I448-I466 HydrophobicContact CG1-CD1 3.99Å; M462-I466 HydrophobicContact CG-CG1 3.99Å; M462-I466 PolarHBondContact O-N 3.03Å; M462-I466 VanDerWaalsContact O-N 3.16Å; M462-I466 HydrophobicContact SD-CD1 4.28Å; M462-I466 HydrophobicContact SD-CG1 4.21Å; I466-T468 VanDerWaalsContact C-N 3.26Å; I466-T468 PolarHBondContact O-N 2.64Å; I466-F469 PolarHBondContact O-N 3.46Å; I466-F469 VanDerWaalsContact O-N 3.11Å; I466-A470 PolarHBondContact O-N 3.45Å; I466-M538 HydrophobicContact CB-CE 3.43Å; I466-M538 VanDerWaalsContact CB-CE 3.43Å; I466-M538 HydrophobicContact CG1-CE 3.54Å; I466-M538 HydrophobicContact CG2-CE 3.82Å; I466-L562 HydrophobicContact CG2-CD1 3.91Å
467	G	89.7	Confident	88.4	Confident	11 Å²	11	47.4 Å²	47.4	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-27.5	176.7	0	0	0	0	0	114	S463 T465	S463-G467 WeakPolarHBondContact O-CA 3.35Å; S463-G467 PolarHBondContact O-N 3.05Å; T465-G467 PolarHBondContact O-N 3.33Å
468	T	89.2	Confident	88.1	Confident	70 Å²	70	49.8 Å²	49.8	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-73.7	-34.7	173	-61.2	0	0	0	0	111.9	K464 T465 I466 F472 I817	K464-T468 WeakPolarHBondContact O-CB 3.37Å; K464-T468 PolarHBondContact O-N 2.86Å; K464-T468 VanDerWaalsContact O-N 3.09Å; K464-T468 PolarHBondContact O-OG1 2.9Å; T465-T468 WeakPolarHBondContact O-CB 3.36Å; T465-T468 PolarHBondContact O-N 3.24Å; T465-T468 VanDerWaalsContact O-N 3.15Å; I466-T468 VanDerWaalsContact C-N 3.26Å; I466-T468 PolarHBondContact O-N 2.64Å; T468-F472 WeakPolarHBondContact O-CD2 3.39Å; T468-F472 WeakPolarHBondContact O-CE2 3.24Å; T468-I817 HydrophobicContact CG2-CD1 4.38Å
469	F	90.3	Very high	88.3	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-87	-16.7	-179.6	-81	-98.3	0	0	0	114.3	M25 I440 M443 L444 E447 T465 I466 D471 F472 L473 I817	M25-F469 HydrophobicContact CE-CE1 3.99Å; M25-F469 HydrophobicContact CE-CE2 4.26Å; M25-F469 HydrophobicContact CE-CZ 3.38Å; I440-F469 HydrophobicContact CG2-CD1 4.31Å; M443-F469 HydrophobicContact CB-CE1 3.84Å; M443-F469 HydrophobicContact CB-CZ 4.08Å; L444-F469 HydrophobicContact CB-CD1 3.71Å; L444-F469 HydrophobicContact CB-CE1 3.71Å; L444-F469 HydrophobicContact CB-CG 4.13Å; L444-F469 HydrophobicContact CB-CZ 4.13Å; L444-F469 HydrophobicContact CD1-CB 3.95Å; L444-F469 HydrophobicContact CD1-CD1 4.2Å; L444-F469 HydrophobicContact CD1-CD2 3.71Å; L444-F469 HydrophobicContact CD1-CE2 4.16Å; L444-F469 HydrophobicContact CD1-CG 3.7Å; L444-F469 HydrophobicContact CD2-CB 4.25Å; L444-F469 HydrophobicContact CD2-CG 4.45Å; L444-F469 HydrophobicContact CG-CD1 4.35Å; L444-F469 HydrophobicContact CG-CG 4.3Å; E447-F469 HydrophobicContact CB-CE2 4.16Å; E447-F469 HydrophobicContact CG-CE2 3.93Å; E447-F469 HydrophobicContact CG-CZ 4.11Å; T465-F469 WeakPolarHBondContact O-CD2 3.42Å; T465-F469 PolarHBondContact O-N 3.21Å; I466-F469 PolarHBondContact O-N 3.46Å; I466-F469 VanDerWaalsContact O-N 3.11Å; F469-D471 VanDerWaalsContact C-N 3.33Å; F469-D471 PolarHBondContact O-N 2.85Å; F469-F472 WeakPolarHBondContact O-CA 3.45Å; F469-F472 WeakPolarHBondContact O-CB 3.26Å; F469-F472 PolarHBondContact O-N 3.03Å; F469-L473 PolarHBondContact O-N 3.29Å; F469-I817 HydrophobicContact CE1-CD1 4.35Å; F469-I817 HydrophobicContact CE2-CD1 4.36Å; F469-I817 HydrophobicContact CZ-CD1 4.13Å
470	A	89.3	Confident	88.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-50.4	-46.2	-177	0	0	0	0	0	113.6	I466 F472 L473 K561 L562	I466-A470 PolarHBondContact O-N 3.45Å; A470-F472 VanDerWaalsContact C-N 3.28Å; A470-F472 PolarHBondContact O-N 3.35Å; A470-L473 WeakPolarHBondContact O-CB 3.35Å; A470-L473 PolarHBondContact O-N 3.46Å; A470-K561 HydrophobicContact CB-CB 3.87Å; A470-L562 HydrophobicContact CB-CD2 3.74Å; A470-L562 HydrophobicContact CB-CG 4.07Å
471	D	82.2	Confident	87.8	Confident	91 Å²	91	36.9 Å²	36.9	49%	0.487	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-64.4	-30.1	177.7	-94.1	-53.2	0	0	0	113.7	F469 L473 K474	F469-D471 VanDerWaalsContact C-N 3.33Å; F469-D471 PolarHBondContact O-N 2.85Å; D471-L473 VanDerWaalsContact C-N 3.33Å; D471-K474 WeakPolarHBondContact O-CD 3.37Å; D471-K474 WeakPolarHBondContact O-CG 3.4Å; D471-K474 IonicContact OD1-NZ 2.76Å; D471-K474 PolarHBondContact OD1-NZ 3.45Å
472	F	84.3	Confident	87.4	Confident	52 Å²	52	36.8 Å²	36.8	23%	0.228	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-77.7	-17.9	-179.9	-62.4	-85.8	0	0	0	112.6	I440 T468 F469 A470 K474 C475 I816 I817	I440-F472 HydrophobicContact CG2-CB 3.87Å; T468-F472 WeakPolarHBondContact O-CD2 3.39Å; T468-F472 WeakPolarHBondContact O-CE2 3.24Å; F469-F472 WeakPolarHBondContact O-CA 3.45Å; F469-F472 WeakPolarHBondContact O-CB 3.26Å; F469-F472 PolarHBondContact O-N 3.03Å; A470-F472 VanDerWaalsContact C-N 3.28Å; A470-F472 PolarHBondContact O-N 3.35Å; F472-K474 PolarHBondContact O-N 3.03Å; F472-C475 VanDerWaalsContact O-CB 3.32Å; F472-C475 WeakPolarHBondContact O-CB 3.39Å; F472-C475 PolarHBondContact O-N 3.2Å; F472-C475 PolarHBondContact O-SG 3.37Å; F472-I816 HydrophobicContact CD1-CG2 3.74Å; F472-I816 HydrophobicContact CE1-CG2 3.82Å; F472-I816 WeakPolarHBondContact CE1-O 3.46Å; F472-I817 HydrophobicContact CE1-CG1 4.28Å; F472-I817 HydrophobicContact CE2-CD1 4.16Å; F472-I817 HydrophobicContact CE2-CG1 4.04Å; F472-I817 HydrophobicContact CZ-CB 4.36Å; F472-I817 HydrophobicContact CZ-CD1 4.43Å; F472-I817 HydrophobicContact CZ-CG1 3.81Å
473	L	85.8	Confident	86.9	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-60.4	-17.8	174.8	-62.5	179.4	0	0	0	113.1	F469 A470 D471 C475 C476 F531 Y534 L562 V565	F469-L473 PolarHBondContact O-N 3.29Å; A470-L473 WeakPolarHBondContact O-CB 3.35Å; A470-L473 PolarHBondContact O-N 3.46Å; D471-L473 VanDerWaalsContact C-N 3.33Å; L473-C475 PolarHBondContact O-N 3.49Å; L473-C475 VanDerWaalsContact O-N 3.09Å; L473-C476 WeakPolarHBondContact O-CB 3.41Å; L473-C476 PolarHBondContact O-N 3.04Å; L473-F531 HydrophobicContact CB-CD2 4Å; L473-F531 HydrophobicContact CB-CE2 3.97Å; L473-Y534 HydrophobicContact CD1-CD2 3.59Å; L473-Y534 HydrophobicContact CD1-CE2 4.09Å; L473-Y534 HydrophobicContact CD1-CG 4.25Å; L473-Y534 HydrophobicContact CD2-CD2 4.03Å; L473-Y534 HydrophobicContact CD2-CE2 3.62Å; L473-Y534 HydrophobicContact CG-CD2 4.49Å; L473-L562 HydrophobicContact CD1-CD2 3.51Å; L473-V565 HydrophobicContact CB-CG1 4.24Å
474	K	83.1	Confident	86.3	Confident	99 Å²	99	39.7 Å²	39.7	43%	0.43	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-55.3	-20.4	168.3	-66.4	171	-178.5	149.1	0	113	D471 F472 C476 Q477 V565	D471-K474 WeakPolarHBondContact O-CD 3.37Å; D471-K474 WeakPolarHBondContact O-CG 3.4Å; D471-K474 IonicContact OD1-NZ 2.76Å; D471-K474 PolarHBondContact OD1-NZ 3.45Å; F472-K474 PolarHBondContact O-N 3.03Å; K474-C476 PolarHBondContact O-N 2.82Å; K474-Q477 VanDerWaalsContact O-CB 3.24Å; K474-Q477 WeakPolarHBondContact O-CB 3.47Å; K474-Q477 PolarHBondContact O-N 2.88Å; K474-V565 HydrophobicContact CG-CG1 4.07Å
475	C	82.4	Confident	86.1	Confident	31 Å²	31	36 Å²	36	21%	0.209	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.5	-23.3	171.3	69.7	0	0	0	0	114	I437 I440 F472 L473 Q477 P478	I437-C475 WeakPolarHBondContact CG1-O 3.49Å; I440-C475 HydrophobicContact CD1-CB 3.5Å; I440-C475 VanDerWaalsContact CD1-CB 3.5Å; F472-C475 VanDerWaalsContact O-CB 3.32Å; F472-C475 WeakPolarHBondContact O-CB 3.39Å; F472-C475 PolarHBondContact O-N 3.2Å; F472-C475 PolarHBondContact O-SG 3.37Å; L473-C475 PolarHBondContact O-N 3.49Å; L473-C475 VanDerWaalsContact O-N 3.09Å; C475-Q477 VanDerWaalsContact C-N 3.28Å; C475-Q477 PolarHBondContact O-N 2.92Å; C475-P478 VanDerWaalsContact O-CD 3.32Å; C475-P478 WeakPolarHBondContact O-CD 3.15Å
476	C	85.8	Confident	86	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-73.7	-19.5	175.2	-69.5	0	0	0	0	112.9	L473 K474 F479 L480 V527 F531	L473-C476 WeakPolarHBondContact O-CB 3.41Å; L473-C476 PolarHBondContact O-N 3.04Å; K474-C476 PolarHBondContact O-N 2.82Å; C476-F479 PolarHBondContact O-N 2.85Å; C476-F479 VanDerWaalsContact O-N 3.13Å; C476-L480 HydrophobicContact CB-CD1 4.08Å; C476-L480 HydrophobicContact CB-CG 4.5Å; C476-L480 WeakPolarHBondContact O-CG 3.27Å; C476-L480 PolarHBondContact O-N 3.14Å; C476-V527 HydrophobicContact CB-CG1 3.98Å; C476-F531 HydrophobicContact CB-CD2 4.15Å
477	Q	84.1	Confident	85.6	Confident	62 Å²	62	37.6 Å²	37.6	29%	0.29	21%	0.205	S	C	.	.	H	α-helix	trans	-57.9	-43.9	-171.6	-164	-150.7	-74.8	0	0	113.7	K474 C475 F479 L480 D481 V569	K474-Q477 VanDerWaalsContact O-CB 3.24Å; K474-Q477 WeakPolarHBondContact O-CB 3.47Å; K474-Q477 PolarHBondContact O-N 2.88Å; C475-Q477 VanDerWaalsContact C-N 3.28Å; C475-Q477 PolarHBondContact O-N 2.92Å; Q477-F479 VanDerWaalsContact C-N 3.25Å; Q477-F479 PolarHBondContact O-N 2.85Å; Q477-L480 PolarHBondContact O-N 3.02Å; Q477-L480 VanDerWaalsContact O-N 3.1Å; Q477-D481 PolarHBondContact NE2-OD2 2.97Å; Q477-D481 WeakPolarHBondContact O-CB 3.42Å; Q477-D481 PolarHBondContact O-N 3.39Å; Q477-V569 HydrophobicContact CG-CG2 4.24Å
478	P	84.5	Confident	85.5	Confident	51 Å²	51	39 Å²	39	33%	0.331	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-28.8	178.6	-22.6	35.4	0	0	0	113.8	I433 C475 N482	I433-P478 HydrophobicContact CG2-CB 4.27Å; C475-P478 VanDerWaalsContact O-CD 3.32Å; C475-P478 WeakPolarHBondContact O-CD 3.15Å; P478-N482 PolarHBondContact O-ND2 3.11Å
479	F	88.1	Confident	85.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.6	-45.6	172	178.7	-92.2	0	0	0	110.8	I430 I433 M434 I437 C476 Q477 N482 K483 F486 L524 V527	I430-F479 HydrophobicContact CG2-CE2 4.39Å; I433-F479 HydrophobicContact CG2-CB 3.77Å; M434-F479 HydrophobicContact CE-CD2 4.31Å; M434-F479 HydrophobicContact CE-CE2 3.57Å; M434-F479 HydrophobicContact CE-CZ 3.77Å; M434-F479 HydrophobicContact CG-CD2 4.42Å; M434-F479 HydrophobicContact CG-CE2 4.48Å; I437-F479 HydrophobicContact CD1-CB 3.77Å; I437-F479 HydrophobicContact CD1-CG 4.5Å; C476-F479 PolarHBondContact O-N 2.85Å; C476-F479 VanDerWaalsContact O-N 3.13Å; Q477-F479 VanDerWaalsContact C-N 3.25Å; Q477-F479 PolarHBondContact O-N 2.85Å; F479-N482 CarbonylContact O-C 3.22Å; F479-N482 PolarHBondContact O-N 3.23Å; F479-K483 HydrophobicContact CE1-CB 4.39Å; F479-K483 HydrophobicContact CE1-CD 4.22Å; F479-K483 HydrophobicContact CE1-CG 3.96Å; F479-K483 HydrophobicContact CZ-CG 4.36Å; F479-K483 PolarHBondContact O-N 3.3Å; F479-F486 HydrophobicContact CD2-CD2 4.22Å; F479-F486 HydrophobicContact CD2-CE2 4.07Å; F479-F486 HydrophobicContact CE2-CD2 4.04Å; F479-F486 HydrophobicContact CE2-CE2 4.34Å; F479-L524 WeakPolarHBondContact CE1-O 3.45Å; F479-L524 HydrophobicContact CE2-CD2 4.3Å; F479-L524 HydrophobicContact CZ-CB 4.3Å; F479-L524 HydrophobicContact CZ-CD2 3.9Å; F479-V527 HydrophobicContact CD1-CB 3.66Å; F479-V527 HydrophobicContact CD1-CG1 3.67Å; F479-V527 HydrophobicContact CD1-CG2 3.66Å; F479-V527 HydrophobicContact CE1-CB 3.7Å; F479-V527 HydrophobicContact CE1-CG1 4.25Å; F479-V527 HydrophobicContact CE1-CG2 3.52Å; F479-V527 HydrophobicContact CG-CG1 4.41Å; F479-V527 HydrophobicContact CG-CG2 4.34Å; F479-V527 HydrophobicContact CZ-CG2 4.12Å
480	L	85.8	Confident	85.3	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-47.8	-178.3	-65.5	173.7	0	0	0	111.4	C476 Q477 N482 K483 V527 H528 F531 V569 M573	C476-L480 HydrophobicContact CB-CD1 4.08Å; C476-L480 HydrophobicContact CB-CG 4.5Å; C476-L480 WeakPolarHBondContact O-CG 3.27Å; C476-L480 PolarHBondContact O-N 3.14Å; Q477-L480 PolarHBondContact O-N 3.02Å; Q477-L480 VanDerWaalsContact O-N 3.1Å; L480-N482 PolarHBondContact O-N 3.13Å; L480-N482 VanDerWaalsContact O-N 3.14Å; L480-K483 WeakPolarHBondContact O-CB 3.43Å; L480-K483 PolarHBondContact O-N 3.43Å; L480-V527 HydrophobicContact CD2-CB 4.44Å; L480-V527 HydrophobicContact CD2-CG1 4.06Å; L480-V527 HydrophobicContact CG-CG1 4.33Å; L480-H528 HydrophobicContact CD2-CB 3.58Å; L480-F531 HydrophobicContact CD1-CD1 4.25Å; L480-F531 HydrophobicContact CD1-CG 4.32Å; L480-V569 HydrophobicContact CD1-CG1 3.65Å; L480-M573 HydrophobicContact CB-CG 4.49Å; L480-M573 HydrophobicContact CB-SD 4.22Å; L480-M573 WeakPolarHBondContact O-CE 3.03Å; L480-M573 VanDerWaalsContact O-SD 3.34Å
481	D	82.8	Confident	85.2	Confident	53 Å²	53	41 Å²	41	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-49.1	-38.9	175.8	-74.7	-34.5	0	0	0	112.3	Q477 K572	Q477-D481 PolarHBondContact NE2-OD2 2.97Å; Q477-D481 WeakPolarHBondContact O-CB 3.42Å; Q477-D481 PolarHBondContact O-N 3.39Å; D481-K572 WeakPolarHBondContact OD1-CD 3.38Å; D481-K572 VanDerWaalsContact OD1-CE 3.24Å; D481-K572 WeakPolarHBondContact OD1-CE 3.46Å; D481-K572 IonicContact OD1-NZ 2.78Å; D481-K572 PolarHBondContact OD1-NZ 2.85Å; D481-K572 IonicContact OD2-NZ 2.65Å; D481-K572 PolarHBondContact OD2-NZ 3.01Å
482	N	84.9	Confident	85.4	Confident	63 Å²	63	41.1 Å²	41.1	34%	0.337	21%	0.211	S	C	.	.	H	α-helix	trans	-102.8	1.2	-176	-66.1	-81.1	0	0	0	113.9	P478 F479 L480 A484 D485 F486	P478-N482 PolarHBondContact O-ND2 3.11Å; F479-N482 CarbonylContact O-C 3.22Å; F479-N482 PolarHBondContact O-N 3.23Å; L480-N482 PolarHBondContact O-N 3.13Å; L480-N482 VanDerWaalsContact O-N 3.14Å; N482-A484 VanDerWaalsContact C-N 3.3Å; N482-A484 PolarHBondContact O-N 3.07Å; N482-D485 PolarHBondContact O-N 3.34Å; N482-D485 VanDerWaalsContact O-N 3.09Å; N482-F486 HydrophobicContact CB-CD2 4.07Å; N482-F486 HydrophobicContact CB-CE1 4.14Å; N482-F486 HydrophobicContact CB-CE2 3.49Å; N482-F486 VanDerWaalsContact CB-CE2 3.49Å; N482-F486 HydrophobicContact CB-CZ 3.52Å; N482-F486 WeakPolarHBondContact O-CD2 3.47Å; N482-F486 WeakPolarHBondContact O-CG 3.41Å; N482-F486 PolarHBondContact O-N 3.02Å
483	K	84.6	Confident	85.6	Confident	28 Å²	28	39 Å²	39	12%	0.122	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-39.2	-169.6	-170.5	-171.9	66.1	163.2	0	113	F479 L480 L487 D525	F479-K483 HydrophobicContact CE1-CB 4.39Å; F479-K483 HydrophobicContact CE1-CD 4.22Å; F479-K483 HydrophobicContact CE1-CG 3.96Å; F479-K483 HydrophobicContact CZ-CG 4.36Å; F479-K483 PolarHBondContact O-N 3.3Å; L480-K483 WeakPolarHBondContact O-CB 3.43Å; L480-K483 PolarHBondContact O-N 3.43Å; K483-L487 WeakPolarHBondContact O-CB 3.49Å; K483-L487 PolarHBondContact O-N 3.2Å; K483-D525 IonicContact NZ-OD1 3.31Å; K483-D525 PolarHBondContact NZ-OD1 2.9Å
484	A	80.5	Confident	85.7	Confident	34 Å²	34	39.2 Å²	39.2	28%	0.281	20%	0.203	S	C	.	.	H	α-helix	trans	-63.3	-44.7	177.2	0	0	0	0	0	112	M182 N482 L487 N488	M182-A484 HydrophobicContact CE-CB 3.89Å; N482-A484 VanDerWaalsContact C-N 3.3Å; N482-A484 PolarHBondContact O-N 3.07Å; A484-L487 PolarHBondContact O-N 3.25Å; A484-N488 WeakPolarHBondContact O-CB 3.48Å; A484-N488 VanDerWaalsContact O-CG 3.3Å; A484-N488 PolarHBondContact O-N 2.91Å
485	D	86.5	Confident	85.8	Confident	79 Å²	79	39.3 Å²	39.3	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-67.9	-38.7	178.7	-71.4	-3	0	0	0	111.9	N482 N488 K489	N482-D485 PolarHBondContact O-N 3.34Å; N482-D485 VanDerWaalsContact O-N 3.09Å; D485-N488 PolarHBondContact O-N 3.47Å; D485-K489 VanDerWaalsContact O-CB 3.28Å; D485-K489 WeakPolarHBondContact O-CB 3.02Å; D485-K489 WeakPolarHBondContact O-CD 3.31Å; D485-K489 WeakPolarHBondContact O-CG 3.4Å; D485-K489 PolarHBondContact O-N 3Å
486	F	89	Confident	86	Confident	5 Å²	5	43 Å²	43	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-43.8	173.1	-63.1	-33.9	0	0	0	112.1	V426 Q429 I430 I433 F479 N482 L490	V426-F486 HydrophobicContact CG2-CB 4.42Å; V426-F486 HydrophobicContact CG2-CD1 4.25Å; Q429-F486 HydrophobicContact CB-CD1 4.38Å; Q429-F486 HydrophobicContact CB-CE1 3.71Å; Q429-F486 HydrophobicContact CB-CZ 4.38Å; I430-F486 HydrophobicContact CD1-CB 4.22Å; I430-F486 HydrophobicContact CG1-CB 4.17Å; I430-F486 HydrophobicContact CG1-CD1 4.26Å; I430-F486 HydrophobicContact CG1-CD2 4.13Å; I430-F486 HydrophobicContact CG1-CG 3.94Å; I433-F486 HydrophobicContact CD1-CE2 3.99Å; I433-F486 HydrophobicContact CD1-CZ 3.71Å; F479-F486 HydrophobicContact CD2-CD2 4.22Å; F479-F486 HydrophobicContact CD2-CE2 4.07Å; F479-F486 HydrophobicContact CE2-CD2 4.04Å; F479-F486 HydrophobicContact CE2-CE2 4.34Å; N482-F486 HydrophobicContact CB-CD2 4.07Å; N482-F486 HydrophobicContact CB-CE1 4.14Å; N482-F486 HydrophobicContact CB-CE2 3.49Å; N482-F486 VanDerWaalsContact CB-CE2 3.49Å; N482-F486 HydrophobicContact CB-CZ 3.52Å; N482-F486 WeakPolarHBondContact O-CD2 3.47Å; N482-F486 WeakPolarHBondContact O-CG 3.41Å; N482-F486 PolarHBondContact O-N 3.02Å; F486-L490 WeakPolarHBondContact O-CB 3.26Å; F486-L490 PolarHBondContact O-N 3.11Å
487	L	84.9	Confident	86.1	Confident	49 Å²	49	44 Å²	44	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-42.9	176.9	179.4	140.9	0	0	0	111.6	K483 A484 L491 I521 L524	K483-L487 WeakPolarHBondContact O-CB 3.49Å; K483-L487 PolarHBondContact O-N 3.2Å; A484-L487 PolarHBondContact O-N 3.25Å; L487-L491 HydrophobicContact CD2-CD1 3.59Å; L487-L491 HydrophobicContact CG-CD1 4.07Å; L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.48Å; L487-L491 WeakPolarHBondContact O-CD1 3.25Å; L487-L491 VanDerWaalsContact O-CG 3.28Å; L487-L491 WeakPolarHBondContact O-CG 3.5Å; L487-L491 PolarHBondContact O-N 2.9Å; L487-I521 HydrophobicContact CD1-CG2 3.8Å; L487-I521 HydrophobicContact CG-CG2 4.12Å; L487-L524 HydrophobicContact CB-CD1 4.48Å
488	N	86.5	Confident	86.2	Confident	40 Å²	40	48.3 Å²	48.3	21%	0.214	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-53.5	175.4	-74.2	-9.7	0	0	0	112	M182 A484 D485 L490 L491 Q492	M182-N488 WeakPolarHBondContact CE-ND2 3.47Å; M182-N488 PolarHBondContact SD-ND2 3.31Å; A484-N488 WeakPolarHBondContact O-CB 3.48Å; A484-N488 VanDerWaalsContact O-CG 3.3Å; A484-N488 PolarHBondContact O-N 2.91Å; D485-N488 PolarHBondContact O-N 3.47Å; N488-L490 VanDerWaalsContact C-N 3.32Å; N488-L490 PolarHBondContact O-N 2.83Å; N488-L491 PolarHBondContact O-N 2.84Å; N488-Q492 WeakPolarHBondContact O-CB 3.27Å; N488-Q492 PolarHBondContact O-N 3.28Å
489	K	88.3	Confident	86.3	Confident	80 Å²	80	49.4 Å²	49.4	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-41.5	179.5	-72.4	164	-179.4	166.8	0	111.8	V426 Q429 D485 Q492 L493	V426-K489 HydrophobicContact CB-CB 4.01Å; V426-K489 HydrophobicContact CG2-CB 3.68Å; V426-K489 HydrophobicContact CG2-CD 4.33Å; Q429-K489 VanDerWaalsContact OE1-NZ 3.11Å; D485-K489 VanDerWaalsContact O-CB 3.28Å; D485-K489 WeakPolarHBondContact O-CB 3.02Å; D485-K489 WeakPolarHBondContact O-CD 3.31Å; D485-K489 WeakPolarHBondContact O-CG 3.4Å; D485-K489 PolarHBondContact O-N 3Å; K489-Q492 PolarHBondContact O-N 2.89Å; K489-L493 WeakPolarHBondContact O-CB 3.35Å; K489-L493 PolarHBondContact O-N 2.91Å
490	L	88.4	Confident	86.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-37.5	178.5	-173.5	68.1	0	0	0	112.3	V426 F486 N488 R494 F500 V520 I521 L524	V426-L490 HydrophobicContact CG1-CB 4.3Å; V426-L490 HydrophobicContact CG1-CD1 3.97Å; V426-L490 HydrophobicContact CG2-CB 4.43Å; F486-L490 WeakPolarHBondContact O-CB 3.26Å; F486-L490 PolarHBondContact O-N 3.11Å; N488-L490 VanDerWaalsContact C-N 3.32Å; N488-L490 PolarHBondContact O-N 2.83Å; L490-R494 WeakPolarHBondContact O-CB 3.4Å; L490-R494 VanDerWaalsContact O-CG 3.28Å; L490-R494 WeakPolarHBondContact O-CG 3.36Å; L490-R494 PolarHBondContact O-N 3.2Å; L490-R494 VanDerWaalsContact O-N 3.12Å; L490-F500 HydrophobicContact CD1-CE1 3.72Å; L490-F500 HydrophobicContact CD1-CZ 3.8Å; L490-V520 HydrophobicContact CD2-CG1 3.8Å; L490-I521 HydrophobicContact CD2-CG1 3.92Å; L490-I521 HydrophobicContact CG-CG1 4.46Å; L490-L524 HydrophobicContact CD2-CD1 4.2Å
491	L	86.7	Confident	86.5	Confident	39 Å²	39	50.1 Å²	50.1	20%	0.204	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-44	172.2	-81.5	166.6	0	0	0	111.6	F184 L487 N488 R494 N495 I521	F184-L491 HydrophobicContact CE2-CD1 4.14Å; F184-L491 HydrophobicContact CE2-CD2 3.96Å; F184-L491 HydrophobicContact CE2-CG 4.46Å; F184-L491 HydrophobicContact CZ-CB 4.42Å; F184-L491 HydrophobicContact CZ-CD2 4.05Å; L487-L491 HydrophobicContact CD2-CD1 3.59Å; L487-L491 HydrophobicContact CG-CD1 4.07Å; L487-L491 VanDerWaalsContact O-CB 3.3Å; L487-L491 WeakPolarHBondContact O-CB 3.48Å; L487-L491 WeakPolarHBondContact O-CD1 3.25Å; L487-L491 VanDerWaalsContact O-CG 3.28Å; L487-L491 WeakPolarHBondContact O-CG 3.5Å; L487-L491 PolarHBondContact O-N 2.9Å; N488-L491 PolarHBondContact O-N 2.84Å; L491-R494 PolarHBondContact O-N 3.39Å; L491-N495 VanDerWaalsContact O-CG 3.31Å; L491-N495 PolarHBondContact O-N 3.01Å; L491-N495 PolarHBondContact O-ND2 2.74Å; L491-I521 HydrophobicContact CD2-CD1 3.62Å; L491-I521 HydrophobicContact CG-CD1 4.19Å
492	Q	87.4	Confident	86.7	Confident	92 Å²	92	49.8 Å²	49.8	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-54.4	177.1	178.9	173.4	4.8	0	0	110.9	N488 K489 R494 N495 E496	N488-Q492 WeakPolarHBondContact O-CB 3.27Å; N488-Q492 PolarHBondContact O-N 3.28Å; K489-Q492 PolarHBondContact O-N 2.89Å; Q492-R494 VanDerWaalsContact C-N 3.27Å; Q492-R494 PolarHBondContact O-N 2.9Å; Q492-N495 PolarHBondContact O-N 3.19Å; Q492-E496 HydrophobicContact CG-CG 4.28Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.28Å; Q492-E496 WeakPolarHBondContact CG-OE2 3.42Å; Q492-E496 PolarHBondContact NE2-OE1 2.77Å; Q492-E496 PolarHBondContact O-N 2.83Å
493	L	87.5	Confident	87	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-35.1	179.7	-172.6	60.3	0	0	0	112.5	V426 K489 N495 D497 F500	V426-L493 HydrophobicContact CG1-CD2 4.05Å; K489-L493 WeakPolarHBondContact O-CB 3.35Å; K489-L493 PolarHBondContact O-N 2.91Å; L493-N495 VanDerWaalsContact C-N 3.27Å; L493-N495 PolarHBondContact O-N 3.47Å; L493-D497 HydrophobicContact CD1-CB 4.07Å; L493-D497 WeakPolarHBondContact O-CA 3.13Å; L493-D497 WeakPolarHBondContact O-CB 3.38Å; L493-D497 PolarHBondContact O-N 2.68Å; L493-F500 HydrophobicContact CB-CD1 4.39Å; L493-F500 HydrophobicContact CB-CE1 4.41Å; L493-F500 HydrophobicContact CD2-CD1 3.92Å; L493-F500 HydrophobicContact CD2-CD2 3.85Å; L493-F500 HydrophobicContact CD2-CE1 3.76Å; L493-F500 HydrophobicContact CD2-CE2 3.68Å; L493-F500 HydrophobicContact CD2-CG 3.98Å; L493-F500 HydrophobicContact CD2-CZ 3.65Å; L493-F500 HydrophobicContact CG-CD1 3.7Å; L493-F500 HydrophobicContact CG-CD2 4.27Å; L493-F500 HydrophobicContact CG-CE1 3.95Å; L493-F500 HydrophobicContact CG-CE2 4.48Å; L493-F500 HydrophobicContact CG-CG 3.89Å; L493-F500 HydrophobicContact CG-CZ 4.35Å
494	R	87.2	Confident	87.2	Confident	10 Å²	10	45.5 Å²	45.5	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-76.4	-2.5	174	-70.5	-175.6	75.5	165.5	14.1	115.5	L490 L491 Q492 F500 D501 T504 E508	L490-R494 WeakPolarHBondContact O-CB 3.4Å; L490-R494 VanDerWaalsContact O-CG 3.28Å; L490-R494 WeakPolarHBondContact O-CG 3.36Å; L490-R494 PolarHBondContact O-N 3.2Å; L490-R494 VanDerWaalsContact O-N 3.12Å; L491-R494 PolarHBondContact O-N 3.39Å; Q492-R494 VanDerWaalsContact C-N 3.27Å; Q492-R494 PolarHBondContact O-N 2.9Å; R494-F500 HydrophobicContact CG-CD1 3.79Å; R494-F500 HydrophobicContact CG-CE1 3.76Å; R494-D501 HydrophobicContact CB-CB 4.18Å; R494-D501 HydrophobicContact CG-CB 4.41Å; R494-D501 IonicContact CZ-OD1 3.88Å; R494-D501 IonicContact NE-OD1 3.16Å; R494-D501 PolarHBondContact NE-OD1 2.87Å; R494-D501 IonicContact NH2-OD1 3.94Å; R494-D501 PolarHBondContact NH2-OD1 3.28Å; R494-D501 WeakPolarHBondContact O-CB 3.43Å; R494-T504 VanDerWaalsContact CZ-CG2 3.41Å; R494-E508 IonicContact CZ-OE1 3.36Å; R494-E508 IonicContact CZ-OE2 2.81Å; R494-E508 VanDerWaalsContact NH1-CD 3.28Å; R494-E508 IonicContact NH1-OE1 2.68Å; R494-E508 PolarHBondContact NH1-OE1 2.98Å; R494-E508 IonicContact NH1-OE2 2.75Å; R494-E508 PolarHBondContact NH1-OE2 2.7Å; R494-E508 IonicContact NH2-OE1 3.62Å; R494-E508 IonicContact NH2-OE2 2.75Å; R494-E508 PolarHBondContact NH2-OE2 2.81Å
495	N	85.9	Confident	87.4	Confident	100 Å²	100	44.2 Å²	44.2	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-105	-37.2	168.9	-60.4	-49.9	0	0	0	111.6	F184 L491 Q492 L493	F184-N495 VanDerWaalsContact CE1-ND2 3.34Å; F184-N495 WeakPolarHBondContact CE1-ND2 3.29Å; F184-N495 WeakPolarHBondContact CZ-ND2 3.41Å; L491-N495 VanDerWaalsContact O-CG 3.31Å; L491-N495 PolarHBondContact O-N 3.01Å; L491-N495 PolarHBondContact O-ND2 2.74Å; Q492-N495 PolarHBondContact O-N 3.19Å; L493-N495 VanDerWaalsContact C-N 3.27Å; L493-N495 PolarHBondContact O-N 3.47Å
496	E	87.5	Confident	87.4	Confident	110 Å²	110	41.7 Å²	41.7	51%	0.514	20%	0.199	S	C	.	.	H	α-helix	trans	-76.7	-42.6	-179.1	-69	172.5	173.4	0	0	111.4	H420 Q492	H420-E496 IonicContact CE1-OE2 3.04Å; H420-E496 PolarHBondContact CE1-OE2 2.79Å; H420-E496 IonicContact NE2-OE2 3.9Å; Q492-E496 HydrophobicContact CG-CG 4.28Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.28Å; Q492-E496 WeakPolarHBondContact CG-OE2 3.42Å; Q492-E496 PolarHBondContact NE2-OE1 2.77Å; Q492-E496 PolarHBondContact O-N 2.83Å
497	D	86.7	Confident	87.3	Confident	19 Å²	19	41.5 Å²	41.5	10%	0.102	20%	0.198	C	C	.	.			trans	-110.2	107.7	-178.5	-165.3	-43.1	0	0	0	111.9	R414 L493 E499 F500 D501	R414-D497 IonicContact CZ-OD2 2.67Å; R414-D497 IonicContact NH1-OD1 3.39Å; R414-D497 PolarHBondContact NH1-OD1 2.84Å; R414-D497 IonicContact NH1-OD2 3.59Å; R414-D497 PolarHBondContact NH1-OD2 2.85Å; R414-D497 IonicContact NH2-OD2 3.25Å; R414-D497 PolarHBondContact NH2-OD2 3.23Å; L493-D497 HydrophobicContact CD1-CB 4.07Å; L493-D497 WeakPolarHBondContact O-CA 3.13Å; L493-D497 WeakPolarHBondContact O-CB 3.38Å; L493-D497 PolarHBondContact O-N 2.68Å; D497-E499 PolarHBondContact OD1-N 2.77Å; D497-F500 HydrophobicContact CB-CB 3.8Å; D497-F500 PolarHBondContact OD1-N 2.94Å; D497-D501 WeakPolarHBondContact O-CB 3.41Å; D497-D501 PolarHBondContact O-N 2.93Å
498	K	85.9	Confident	87.3	Confident	154 Å²	154	39.1 Å²	39.1	67%	0.67	19%	0.186	S	C	*	.	H	α-helix	trans	-66.5	-35.3	179.7	-176.8	-169.3	168.1	-157	0	112.6	D501 E502	K498-D501 PolarHBondContact O-N 3.34Å; K498-E502 WeakPolarHBondContact O-CB 3.26Å; K498-E502 PolarHBondContact O-N 2.77Å
499	E	86.6	Confident	87.1	Confident	73 Å²	73	38.8 Å²	38.8	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-76.8	-37.2	-177	-63.3	173.2	163.7	0	0	110.2	R414 L416 D497 E502 A503	R414-E499 WeakPolarHBondContact CD-OE2 3.48Å; R414-E499 IonicContact CZ-OE2 2.78Å; R414-E499 IonicContact NE-OE2 3.15Å; R414-E499 IonicContact NH1-OE2 2.7Å; R414-E499 PolarHBondContact NH1-OE2 3.11Å; L416-E499 HydrophobicContact CD2-CB 4.09Å; D497-E499 PolarHBondContact OD1-N 2.77Å; E499-E502 PolarHBondContact O-N 3.46Å; E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.26Å; E499-A503 PolarHBondContact O-N 2.87Å
500	F	90.6	Very high	86.7	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-41.1	169.6	-176.3	-86.1	0	0	0	112.4	Y401 M405 L416 V427 L490 L493 R494 D497 T504	Y401-F500 WeakPolarHBondContact OH-CZ 3.46Å; M405-F500 HydrophobicContact SD-CD2 4.31Å; M405-F500 HydrophobicContact SD-CE2 3.95Å; M405-F500 HydrophobicContact SD-CZ 4.39Å; L416-F500 HydrophobicContact CB-CD2 4.4Å; V427-F500 HydrophobicContact CG2-CE2 3.79Å; V427-F500 HydrophobicContact CG2-CZ 3.57Å; L490-F500 HydrophobicContact CD1-CE1 3.72Å; L490-F500 HydrophobicContact CD1-CZ 3.8Å; L493-F500 HydrophobicContact CB-CD1 4.39Å; L493-F500 HydrophobicContact CB-CE1 4.41Å; L493-F500 HydrophobicContact CD2-CD1 3.92Å; L493-F500 HydrophobicContact CD2-CD2 3.85Å; L493-F500 HydrophobicContact CD2-CE1 3.76Å; L493-F500 HydrophobicContact CD2-CE2 3.68Å; L493-F500 HydrophobicContact CD2-CG 3.98Å; L493-F500 HydrophobicContact CD2-CZ 3.65Å; L493-F500 HydrophobicContact CG-CD1 3.7Å; L493-F500 HydrophobicContact CG-CD2 4.27Å; L493-F500 HydrophobicContact CG-CE1 3.95Å; L493-F500 HydrophobicContact CG-CE2 4.48Å; L493-F500 HydrophobicContact CG-CG 3.89Å; L493-F500 HydrophobicContact CG-CZ 4.35Å; R494-F500 HydrophobicContact CG-CD1 3.79Å; R494-F500 HydrophobicContact CG-CE1 3.76Å; D497-F500 HydrophobicContact CB-CB 3.8Å; D497-F500 PolarHBondContact OD1-N 2.94Å; F500-T504 WeakPolarHBondContact CE1-OG1 3.43Å; F500-T504 VanDerWaalsContact O-CB 3.25Å; F500-T504 WeakPolarHBondContact O-CB 3.27Å; F500-T504 PolarHBondContact O-N 3.05Å; F500-T504 PolarHBondContact O-OG1 3.47Å
501	D	88.7	Confident	86.3	Confident	16 Å²	16	42 Å²	42	9%	0.086	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-40.4	175.3	-175.5	45.5	0	0	0	112.6	R494 D497 K498 Y505 K517	R494-D501 HydrophobicContact CB-CB 4.18Å; R494-D501 HydrophobicContact CG-CB 4.41Å; R494-D501 IonicContact CZ-OD1 3.88Å; R494-D501 IonicContact NE-OD1 3.16Å; R494-D501 PolarHBondContact NE-OD1 2.87Å; R494-D501 IonicContact NH2-OD1 3.94Å; R494-D501 PolarHBondContact NH2-OD1 3.28Å; R494-D501 WeakPolarHBondContact O-CB 3.43Å; D497-D501 WeakPolarHBondContact O-CB 3.41Å; D497-D501 PolarHBondContact O-N 2.93Å; K498-D501 PolarHBondContact O-N 3.34Å; D501-Y505 VanDerWaalsContact O-CB 3.32Å; D501-Y505 WeakPolarHBondContact O-CB 3.46Å; D501-Y505 PolarHBondContact O-N 2.79Å; D501-K517 WeakPolarHBondContact OD1-CE 3.47Å; D501-K517 IonicContact OD1-NZ 3.62Å; D501-K517 PolarHBondContact OD1-NZ 3.29Å; D501-K517 VanDerWaalsContact OD2-CE 3.27Å; D501-K517 WeakPolarHBondContact OD2-CE 3.37Å; D501-K517 IonicContact OD2-NZ 2.68Å; D501-K517 PolarHBondContact OD2-NZ 3.1Å
502	E	87.6	Confident	85.5	Confident	47 Å²	47	40.8 Å²	40.8	22%	0.22	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-50.5	175.3	-179.2	155.4	-167.9	0	0	111.4	F408 K498 E499 T504 Y505 M506 N715	F408-E502 HydrophobicContact CZ-CG 4.32Å; K498-E502 WeakPolarHBondContact O-CB 3.26Å; K498-E502 PolarHBondContact O-N 2.77Å; E499-E502 PolarHBondContact O-N 3.46Å; E502-T504 VanDerWaalsContact C-N 3.29Å; E502-T504 PolarHBondContact O-N 3.25Å; E502-Y505 PolarHBondContact O-N 2.76Å; E502-M506 HydrophobicContact CG-CE 3.83Å; E502-M506 HydrophobicContact CG-CG 4.33Å; E502-M506 WeakPolarHBondContact O-CG 3.11Å; E502-M506 PolarHBondContact O-N 3.38Å; E502-M506 VanDerWaalsContact OE1-CE 3.3Å; E502-M506 WeakPolarHBondContact OE1-CE 3.43Å; E502-N715 WeakPolarHBondContact OE1-CB 3.38Å; E502-N715 PolarHBondContact OE1-ND2 2.91Å; E502-N715 PolarHBondContact OE2-ND2 3.23Å
503	A	89.4	Confident	84.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-44.6	174.9	0	0	0	0	0	111.8	Y404 M405 F408 L416 E499 M506 F507	Y404-A503 WeakPolarHBondContact CE1-O 3.49Å; M405-A503 HydrophobicContact CE-CB 3.76Å; M405-A503 WeakPolarHBondContact CE-O 3.25Å; M405-A503 HydrophobicContact SD-CB 4.15Å; F408-A503 HydrophobicContact CB-CB 4.11Å; F408-A503 HydrophobicContact CD1-CB 3.47Å; F408-A503 VanDerWaalsContact CD1-CB 3.47Å; F408-A503 HydrophobicContact CD2-CB 4.01Å; F408-A503 HydrophobicContact CE1-CB 3.77Å; F408-A503 HydrophobicContact CE2-CB 4.31Å; F408-A503 HydrophobicContact CG-CB 3.6Å; F408-A503 HydrophobicContact CZ-CB 4.2Å; L416-A503 HydrophobicContact CD1-CB 3.61Å; E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.26Å; E499-A503 PolarHBondContact O-N 2.87Å; A503-M506 PolarHBondContact O-N 2.81Å; A503-F507 PolarHBondContact O-N 3.13Å; A503-F507 VanDerWaalsContact O-N 3.09Å
504	T	89.1	Confident	82.8	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176.3	-60.3	0	0	0	0	111.3	Y401 R494 F500 E502 E508 V520	Y401-T504 HydrophobicContact CE2-CG2 3.9Å; Y401-T504 WeakPolarHBondContact OH-CG2 3.41Å; Y401-T504 PolarHBondContact OH-OG1 3.46Å; R494-T504 VanDerWaalsContact CZ-CG2 3.41Å; F500-T504 WeakPolarHBondContact CE1-OG1 3.43Å; F500-T504 VanDerWaalsContact O-CB 3.25Å; F500-T504 WeakPolarHBondContact O-CB 3.27Å; F500-T504 PolarHBondContact O-N 3.05Å; F500-T504 PolarHBondContact O-OG1 3.47Å; E502-T504 VanDerWaalsContact C-N 3.29Å; E502-T504 PolarHBondContact O-N 3.25Å; T504-E508 VanDerWaalsContact O-CG 3.24Å; T504-E508 WeakPolarHBondContact O-CG 3.36Å; T504-E508 PolarHBondContact O-N 2.99Å; T504-V520 HydrophobicContact CG2-CB 4.27Å; T504-V520 HydrophobicContact CG2-CG2 4.05Å
505	Y	85.8	Confident	80.9	Confident	8 Å²	8	48 Å²	48	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-38.6	177.2	-178.7	-93.9	0	0	0	112.9	D501 E502 F507 E508 T509 K517 A708 V709 H712	D501-Y505 VanDerWaalsContact O-CB 3.32Å; D501-Y505 WeakPolarHBondContact O-CB 3.46Å; D501-Y505 PolarHBondContact O-N 2.79Å; E502-Y505 PolarHBondContact O-N 2.76Å; Y505-F507 VanDerWaalsContact C-N 3.35Å; Y505-F507 PolarHBondContact O-N 3.32Å; Y505-E508 WeakPolarHBondContact O-CA 3.14Å; Y505-E508 WeakPolarHBondContact O-CB 3.43Å; Y505-E508 PolarHBondContact O-N 3.03Å; Y505-T509 HydrophobicContact CD1-CG2 4.31Å; Y505-T509 HydrophobicContact CE1-CG2 3.45Å; Y505-T509 VanDerWaalsContact CE1-CG2 3.45Å; Y505-T509 HydrophobicContact CE2-CG2 4.22Å; Y505-T509 VanDerWaalsContact CZ-CG2 3.41Å; Y505-T509 PolarHBondContact O-N 3.5Å; Y505-T509 PolarHBondContact O-OG1 2.69Å; Y505-T509 VanDerWaalsContact OH-CG2 3.24Å; Y505-T509 WeakPolarHBondContact OH-CG2 3.04Å; Y505-K517 HydrophobicContact CD2-CB 3.88Å; Y505-K517 HydrophobicContact CD2-CG 3.6Å; Y505-K517 HydrophobicContact CE2-CB 3.95Å; Y505-K517 HydrophobicContact CE2-CG 4.18Å; Y505-A708 HydrophobicContact CD2-CB 4.17Å; Y505-A708 HydrophobicContact CE2-CB 4.39Å; Y505-V709 HydrophobicContact CE2-CG2 4.39Å; Y505-V709 WeakPolarHBondContact OH-CA 3.28Å; Y505-V709 VanDerWaalsContact OH-CG2 3.27Å; Y505-V709 WeakPolarHBondContact OH-CG2 3.4Å; Y505-H712 HydrophobicContact CD1-CB 3.6Å; Y505-H712 AromaticContact CD1-CD2 3.86Å; Y505-H712 AromaticContact CD1-CG 3.94Å; Y505-H712 HydrophobicContact CE1-CB 3.24Å; Y505-H712 AromaticContact CE1-CD2 3.63Å; Y505-H712 AromaticContact CE1-CG 3.42Å; Y505-H712 VanDerWaalsContact CE1-CG 3.42Å
506	M	85.3	Confident	79.5	Confident	25 Å²	25	47.9 Å²	47.9	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-46.4	175.9	-62.7	-89.5	176.9	0	0	110.2	Y404 F408 E502 A503 E508 T509 E510 H712	Y404-M506 HydrophobicContact CE1-CB 4.16Å; Y404-M506 VanDerWaalsContact OH-CB 3.31Å; Y404-M506 WeakPolarHBondContact OH-CB 3.24Å; F408-M506 HydrophobicContact CE2-CB 4.36Å; F408-M506 HydrophobicContact CE2-CG 3.96Å; E502-M506 HydrophobicContact CG-CE 3.83Å; E502-M506 HydrophobicContact CG-CG 4.33Å; E502-M506 WeakPolarHBondContact O-CG 3.11Å; E502-M506 PolarHBondContact O-N 3.38Å; E502-M506 VanDerWaalsContact OE1-CE 3.3Å; E502-M506 WeakPolarHBondContact OE1-CE 3.43Å; A503-M506 PolarHBondContact O-N 2.81Å; M506-E508 VanDerWaalsContact C-N 3.34Å; M506-E508 PolarHBondContact O-N 3.32Å; M506-T509 WeakPolarHBondContact CA-OG1 3.22Å; M506-T509 PolarHBondContact O-N 2.91Å; M506-T509 PolarHBondContact O-OG1 2.87Å; M506-E510 WeakPolarHBondContact O-CG 3.4Å; M506-E510 PolarHBondContact O-N 3.44Å; M506-H712 VanDerWaalsContact SD-CD2 3.5Å
507	F	88	Confident	78.4	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-43.1	169.5	178	-93	0	0	0	112.7	L400 Y401 Y404 M405 A503 Y505 T509 E510 V511 F512 V520	L400-F507 HydrophobicContact CB-CE2 4.08Å; Y401-F507 VanDerWaalsContact CA-CE2 3.48Å; Y401-F507 HydrophobicContact CD2-CB 4.35Å; Y401-F507 AromaticContact CD2-CD1 3.55Å; Y401-F507 HydrophobicContact CD2-CD1 3.55Å; Y401-F507 HydrophobicContact CD2-CD2 4.19Å; Y401-F507 AromaticContact CD2-CE1 3.84Å; Y401-F507 HydrophobicContact CD2-CE1 3.84Å; Y401-F507 HydrophobicContact CD2-CE2 4.42Å; Y401-F507 AromaticContact CD2-CG 3.75Å; Y401-F507 HydrophobicContact CD2-CG 3.75Å; Y401-F507 HydrophobicContact CD2-CZ 4.27Å; Y401-F507 HydrophobicContact CE2-CD1 4.23Å; Y401-F507 HydrophobicContact CE2-CG 4.48Å; Y401-F507 HydrophobicContact CG-CD1 4.21Å; Y401-F507 HydrophobicContact CG-CE1 4.02Å; Y401-F507 HydrophobicContact CG-CZ 4.26Å; Y404-F507 HydrophobicContact CD1-CB 3.8Å; Y404-F507 HydrophobicContact CD1-CD2 4.32Å; Y404-F507 HydrophobicContact CD2-CD2 4.17Å; Y404-F507 HydrophobicContact CE1-CB 4.08Å; Y404-F507 HydrophobicContact CG-CB 4.12Å; Y404-F507 AromaticContact CG-CD2 3.8Å; Y404-F507 HydrophobicContact CG-CD2 3.8Å; Y404-F507 HydrophobicContact CG-CG 4.43Å; M405-F507 HydrophobicContact CE-CB 4.46Å; A503-F507 PolarHBondContact O-N 3.13Å; A503-F507 VanDerWaalsContact O-N 3.09Å; Y505-F507 VanDerWaalsContact C-N 3.35Å; Y505-F507 PolarHBondContact O-N 3.32Å; F507-T509 VanDerWaalsContact C-N 3.29Å; F507-T509 PolarHBondContact O-N 3.29Å; F507-E510 PolarHBondContact O-N 3Å; F507-V511 HydrophobicContact CD2-CB 4.44Å; F507-V511 HydrophobicContact CD2-CG2 3.78Å; F507-V511 HydrophobicContact CE1-CB 4.35Å; F507-V511 HydrophobicContact CE2-CB 4.02Å; F507-V511 HydrophobicContact CE2-CG1 4.37Å; F507-V511 HydrophobicContact CE2-CG2 3.44Å; F507-V511 VanDerWaalsContact CE2-CG2 3.44Å; F507-V511 HydrophobicContact CZ-CB 3.95Å; F507-V511 HydrophobicContact CZ-CG1 3.99Å; F507-V511 HydrophobicContact CZ-CG2 3.89Å; F507-V511 PolarHBondContact O-N 3.36Å; F507-F512 HydrophobicContact CD1-CE2 4.37Å; F507-F512 AromaticContact CE1-CE2 3.89Å; F507-F512 HydrophobicContact CE1-CE2 3.89Å; F507-F512 HydrophobicContact CE1-CZ 4.1Å; F507-V520 HydrophobicContact CD1-CG2 3.8Å; F507-V520 HydrophobicContact CE1-CG2 3.97Å
508	E	84.8	Confident	77.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-38.7	176.8	-75	174.1	152.6	0	0	112.3	R494 T504 Y505 M506 F512 G518 A519 V520	R494-E508 IonicContact CZ-OE1 3.36Å; R494-E508 IonicContact CZ-OE2 2.81Å; R494-E508 VanDerWaalsContact NH1-CD 3.28Å; R494-E508 IonicContact NH1-OE1 2.68Å; R494-E508 PolarHBondContact NH1-OE1 2.98Å; R494-E508 IonicContact NH1-OE2 2.75Å; R494-E508 PolarHBondContact NH1-OE2 2.7Å; R494-E508 IonicContact NH2-OE1 3.62Å; R494-E508 IonicContact NH2-OE2 2.75Å; R494-E508 PolarHBondContact NH2-OE2 2.81Å; T504-E508 VanDerWaalsContact O-CG 3.24Å; T504-E508 WeakPolarHBondContact O-CG 3.36Å; T504-E508 PolarHBondContact O-N 2.99Å; Y505-E508 WeakPolarHBondContact O-CA 3.14Å; Y505-E508 WeakPolarHBondContact O-CB 3.43Å; Y505-E508 PolarHBondContact O-N 3.03Å; M506-E508 VanDerWaalsContact C-N 3.34Å; M506-E508 PolarHBondContact O-N 3.32Å; E508-F512 HydrophobicContact CG-CD2 4.46Å; E508-F512 WeakPolarHBondContact O-CB 3.14Å; E508-F512 PolarHBondContact O-N 2.94Å; E508-G518 VanDerWaalsContact CD-N 3.32Å; E508-G518 WeakPolarHBondContact OE1-CA 3.2Å; E508-G518 PolarHBondContact OE1-N 3.05Å; E508-G518 VanDerWaalsContact OE1-N 3.08Å; E508-G518 PolarHBondContact OE2-N 2.82Å; E508-A519 HydrophobicContact CB-CB 4.32Å; E508-A519 HydrophobicContact CG-CB 4.03Å; E508-A519 PolarHBondContact OE1-N 3.2Å; E508-V520 HydrophobicContact CG-CB 4.32Å; E508-V520 HydrophobicContact CG-CG2 3.69Å; E508-V520 PolarHBondContact OE1-N 2.69Å
509	T	81.4	Confident	77	Confident	32 Å²	32	36.6 Å²	36.6	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-73.9	-43.3	176	41.9	0	0	0	0	113.8	Y505 M506 F507 K513	Y505-T509 HydrophobicContact CD1-CG2 4.31Å; Y505-T509 HydrophobicContact CE1-CG2 3.45Å; Y505-T509 VanDerWaalsContact CE1-CG2 3.45Å; Y505-T509 HydrophobicContact CE2-CG2 4.22Å; Y505-T509 VanDerWaalsContact CZ-CG2 3.41Å; Y505-T509 PolarHBondContact O-N 3.5Å; Y505-T509 PolarHBondContact O-OG1 2.69Å; Y505-T509 VanDerWaalsContact OH-CG2 3.24Å; Y505-T509 WeakPolarHBondContact OH-CG2 3.04Å; M506-T509 WeakPolarHBondContact CA-OG1 3.22Å; M506-T509 PolarHBondContact O-N 2.91Å; M506-T509 PolarHBondContact O-OG1 2.87Å; F507-T509 VanDerWaalsContact C-N 3.29Å; F507-T509 PolarHBondContact O-N 3.29Å; T509-K513 WeakPolarHBondContact O-CA 3.36Å; T509-K513 PolarHBondContact O-N 2.88Å
510	E	80.8	Confident	76.8	Confident	108 Å²	108	33.1 Å²	33.1	51%	0.505	17%	0.168	S	C	.	.	H	α-helix	trans	-68.8	-52.6	-177.2	-72.9	-179.9	-134.8	0	0	111.7	Y404 M506 F507	Y404-E510 VanDerWaalsContact CE2-OE1 3.29Å; Y404-E510 WeakPolarHBondContact CE2-OE1 3.22Å; Y404-E510 WeakPolarHBondContact CE2-OE2 3.37Å; Y404-E510 VanDerWaalsContact CZ-OE1 3.29Å; Y404-E510 PolarHBondContact OH-OE1 2.85Å; M506-E510 WeakPolarHBondContact O-CG 3.4Å; M506-E510 PolarHBondContact O-N 3.44Å; F507-E510 PolarHBondContact O-N 3Å
511	V	79	Confident	76.5	Confident	40 Å²	40	34.3 Å²	34.3	24%	0.242	18%	0.175	C	C	.	.	H	α-helix	trans	-86.1	-37.9	-168.5	175.1	0	0	0	0	113.1	E396 F507	E396-V511 HydrophobicContact CB-CG1 4.25Å; E396-V511 HydrophobicContact CG-CG1 3.85Å; F507-V511 HydrophobicContact CD2-CB 4.44Å; F507-V511 HydrophobicContact CD2-CG2 3.78Å; F507-V511 HydrophobicContact CE1-CB 4.35Å; F507-V511 HydrophobicContact CE2-CB 4.02Å; F507-V511 HydrophobicContact CE2-CG1 4.37Å; F507-V511 HydrophobicContact CE2-CG2 3.44Å; F507-V511 VanDerWaalsContact CE2-CG2 3.44Å; F507-V511 HydrophobicContact CZ-CB 3.95Å; F507-V511 HydrophobicContact CZ-CG1 3.99Å; F507-V511 HydrophobicContact CZ-CG2 3.89Å; F507-V511 PolarHBondContact O-N 3.36Å
512	F	70.8	Confident	75.8	Confident	13 Å²	13	35.6 Å²	35.6	6%	0.057	18%	0.18	C	C	.	.	H	α-helix	trans	-89.1	-6.3	179.4	-57.5	-58.8	0	0	0	113.7	M397 F507 E508 R514 A519 V520 Q523	M397-F512 HydrophobicContact SD-CZ 4.19Å; F507-F512 HydrophobicContact CD1-CE2 4.37Å; F507-F512 AromaticContact CE1-CE2 3.89Å; F507-F512 HydrophobicContact CE1-CE2 3.89Å; F507-F512 HydrophobicContact CE1-CZ 4.1Å; E508-F512 HydrophobicContact CG-CD2 4.46Å; E508-F512 WeakPolarHBondContact O-CB 3.14Å; E508-F512 PolarHBondContact O-N 2.94Å; F512-R514 HydrophobicContact CB-CB 4.42Å; F512-R514 VanDerWaalsContact O-CG 3.3Å; F512-R514 WeakPolarHBondContact O-CG 3.43Å; F512-R514 PolarHBondContact O-N 3.04Å; F512-A519 HydrophobicContact CB-CB 4.44Å; F512-A519 HydrophobicContact CD2-CB 3.53Å; F512-A519 HydrophobicContact CE2-CB 4.1Å; F512-A519 HydrophobicContact CG-CB 4.17Å; F512-V520 HydrophobicContact CE2-CG2 3.9Å; F512-Q523 HydrophobicContact CD1-CG 4.49Å; F512-Q523 HydrophobicContact CE1-CG 3.91Å; F512-Q523 VanDerWaalsContact CE1-NE2 3.32Å; F512-Q523 HydrophobicContact CE2-CG 4.36Å; F512-Q523 HydrophobicContact CZ-CB 4.44Å; F512-Q523 HydrophobicContact CZ-CG 3.84Å
513	K	64.5	Low	75.6	Confident	127 Å²	127	33.7 Å²	33.7	55%	0.552	17%	0.171	S	C	*	.			trans	47.2	20.1	-173.6	-60.2	-170.2	-176	-175.2	0	114.6	I342 T509	I342-K513 HydrophobicContact CB-CD 4.09Å; I342-K513 HydrophobicContact CD1-CB 4.34Å; I342-K513 HydrophobicContact CD1-CD 4.28Å; I342-K513 HydrophobicContact CG2-CD 4.25Å; I342-K513 PolarHBondContact O-NZ 3.41Å; T509-K513 WeakPolarHBondContact O-CA 3.36Å; T509-K513 PolarHBondContact O-N 2.88Å
514	R	53.9	Low	75.3	Confident	83 Å²	83	33.8 Å²	33.8	31%	0.313	17%	0.172	S	C	.	.			trans	-113	109	-176.8	-76	164.8	175.1	-153.5	-1.6	106.8	D338 F512 K516	D338-R514 PolarHBondContact O-NH2 3.06Å; F512-R514 HydrophobicContact CB-CB 4.42Å; F512-R514 VanDerWaalsContact O-CG 3.3Å; F512-R514 WeakPolarHBondContact O-CG 3.43Å; F512-R514 PolarHBondContact O-N 3.04Å; R514-K516 HydrophobicContact CB-CB 4.23Å; R514-K516 HydrophobicContact CB-CD 4.44Å; R514-K516 HydrophobicContact CB-CG 4.46Å; R514-K516 PolarHBondContact O-N 2.97Å
515	G	47.5	Very low	74.8	Confident	50 Å²	50	35.2 Å²	35.2	52%	0.515	18%	0.179	S	C	.	.			trans	-66.3	68	173.3	0	0	0	0	0	112	V709	G515-V709 WeakPolarHBondContact O-CG2 3.24Å
516	K	56.4	Low	74.7	Confident	99 Å²	99	36.9 Å²	36.9	43%	0.43	19%	0.187	S	C	.	.			trans	-153.2	95	-162.2	-76.2	-170.8	-180	168.3	0	110	R514 A519 Q705	R514-K516 HydrophobicContact CB-CB 4.23Å; R514-K516 HydrophobicContact CB-CD 4.44Å; R514-K516 HydrophobicContact CB-CG 4.46Å; R514-K516 PolarHBondContact O-N 2.97Å; K516-A519 PolarHBondContact O-N 2.8Å; K516-Q705 HydrophobicContact CB-CG 4.17Å; K516-Q705 HydrophobicContact CG-CG 4.31Å
517	K	62.6	Low	74.8	Confident	33 Å²	33	35.7 Å²	35.7	14%	0.143	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	143.7	175.3	-151	-150.7	-163.2	-176.4	0	111.4	D501 Y505 Y701 Q705 A708	D501-K517 WeakPolarHBondContact OD1-CE 3.47Å; D501-K517 IonicContact OD1-NZ 3.62Å; D501-K517 PolarHBondContact OD1-NZ 3.29Å; D501-K517 VanDerWaalsContact OD2-CE 3.27Å; D501-K517 WeakPolarHBondContact OD2-CE 3.37Å; D501-K517 IonicContact OD2-NZ 2.68Å; D501-K517 PolarHBondContact OD2-NZ 3.1Å; Y505-K517 HydrophobicContact CD2-CB 3.88Å; Y505-K517 HydrophobicContact CD2-CG 3.6Å; Y505-K517 HydrophobicContact CE2-CB 3.95Å; Y505-K517 HydrophobicContact CE2-CG 4.18Å; K517-Y701 PolarHBondContact O-OH 3.14Å; K517-Q705 PolarHBondContact O-NE2 3.08Å; K517-A708 HydrophobicContact CB-CB 3.82Å; K517-A708 HydrophobicContact CD-CB 3.37Å; K517-A708 HydrophobicContact CG-CB 3.45Å; K517-A708 VanDerWaalsContact CG-CB 3.45Å
518	G	68.6	Low	74.5	Confident	6 Å²	6	36.7 Å²	36.7	6%	0.062	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	10.5	176.8	0	0	0	0	0	113.9	E508 V520 I521 Q522	E508-G518 VanDerWaalsContact CD-N 3.32Å; E508-G518 WeakPolarHBondContact OE1-CA 3.2Å; E508-G518 PolarHBondContact OE1-N 3.05Å; E508-G518 VanDerWaalsContact OE1-N 3.08Å; E508-G518 PolarHBondContact OE2-N 2.82Å; G518-V520 PolarHBondContact O-N 3.26Å; G518-I521 PolarHBondContact O-N 3.13Å; G518-Q522 WeakPolarHBondContact O-CG 3.18Å; G518-Q522 PolarHBondContact O-N 3.26Å
519	A	75.8	Confident	74.2	Confident	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-44	172.5	0	0	0	0	0	112.1	E508 F512 K516 I521 Q522 Q523	E508-A519 HydrophobicContact CB-CB 4.32Å; E508-A519 HydrophobicContact CG-CB 4.03Å; E508-A519 PolarHBondContact OE1-N 3.2Å; F512-A519 HydrophobicContact CB-CB 4.44Å; F512-A519 HydrophobicContact CD2-CB 3.53Å; F512-A519 HydrophobicContact CE2-CB 4.1Å; F512-A519 HydrophobicContact CG-CB 4.17Å; K516-A519 PolarHBondContact O-N 2.8Å; A519-I521 VanDerWaalsContact C-N 3.26Å; A519-I521 PolarHBondContact O-N 2.86Å; A519-Q522 PolarHBondContact O-N 3.26Å; A519-Q523 VanDerWaalsContact O-CB 3.3Å; A519-Q523 WeakPolarHBondContact O-CB 3.37Å; A519-Q523 WeakPolarHBondContact O-CG 3.46Å; A519-Q523 PolarHBondContact O-N 2.92Å
520	V	82.6	Confident	74.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.7	-42.6	175.4	170	0	0	0	0	110.7	M397 Y401 L490 T504 F507 E508 F512 G518 Q523 L524	M397-V520 HydrophobicContact CE-CG1 3.89Å; M397-V520 HydrophobicContact SD-CG1 4.39Å; Y401-V520 HydrophobicContact CD1-CG1 4.34Å; Y401-V520 HydrophobicContact CE1-CG1 3.85Å; Y401-V520 HydrophobicContact CE2-CG2 4.36Å; L490-V520 HydrophobicContact CD2-CG1 3.8Å; T504-V520 HydrophobicContact CG2-CB 4.27Å; T504-V520 HydrophobicContact CG2-CG2 4.05Å; F507-V520 HydrophobicContact CD1-CG2 3.8Å; F507-V520 HydrophobicContact CE1-CG2 3.97Å; E508-V520 HydrophobicContact CG-CB 4.32Å; E508-V520 HydrophobicContact CG-CG2 3.69Å; E508-V520 PolarHBondContact OE1-N 2.69Å; F512-V520 HydrophobicContact CE2-CG2 3.9Å; G518-V520 PolarHBondContact O-N 3.26Å; V520-Q523 PolarHBondContact O-N 3.04Å; V520-L524 PolarHBondContact O-N 3.08Å
521	I	82.9	Confident	74.7	Confident	27 Å²	27	30.7 Å²	30.7	14%	0.138	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-44.7	-179.6	-63.3	156.5	0	0	0	111.1	L487 L490 L491 G518 A519 Q523 L524	L487-I521 HydrophobicContact CD1-CG2 3.8Å; L487-I521 HydrophobicContact CG-CG2 4.12Å; L490-I521 HydrophobicContact CD2-CG1 3.92Å; L490-I521 HydrophobicContact CG-CG1 4.46Å; L491-I521 HydrophobicContact CD2-CD1 3.62Å; L491-I521 HydrophobicContact CG-CD1 4.19Å; G518-I521 PolarHBondContact O-N 3.13Å; A519-I521 VanDerWaalsContact C-N 3.26Å; A519-I521 PolarHBondContact O-N 2.86Å; I521-Q523 VanDerWaalsContact C-N 3.29Å; I521-Q523 PolarHBondContact O-N 3.04Å; I521-L524 PolarHBondContact O-N 2.67Å
522	Q	75.7	Confident	74.9	Confident	42 Å²	42	29 Å²	29	20%	0.196	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-35.2	175	-67.7	-164.6	-72.8	0	0	112.4	G518 A519 L524 D525 Y701	G518-Q522 WeakPolarHBondContact O-CG 3.18Å; G518-Q522 PolarHBondContact O-N 3.26Å; A519-Q522 PolarHBondContact O-N 3.26Å; Q522-L524 VanDerWaalsContact C-N 3.25Å; Q522-L524 PolarHBondContact O-N 3.4Å; Q522-D525 PolarHBondContact O-N 2.97Å; Q522-Y701 HydrophobicContact CG-CE2 4.42Å; Q522-Y701 PolarHBondContact OE1-OH 2.77Å
523	Q	82.2	Confident	75.6	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-71	-19.1	-177.9	-67.1	-84.3	25.9	0	0	111.9	Y393 M397 F512 A519 V520 I521 D525 Q526	Y393-Q523 HydrophobicContact CD2-CB 4.27Å; Y393-Q523 HydrophobicContact CE2-CB 3.85Å; Y393-Q523 WeakPolarHBondContact CE2-O 3.47Å; Y393-Q523 PolarHBondContact OH-O 3.26Å; M397-Q523 HydrophobicContact SD-CB 4.3Å; F512-Q523 HydrophobicContact CD1-CG 4.49Å; F512-Q523 HydrophobicContact CE1-CG 3.91Å; F512-Q523 VanDerWaalsContact CE1-NE2 3.32Å; F512-Q523 HydrophobicContact CE2-CG 4.36Å; F512-Q523 HydrophobicContact CZ-CB 4.44Å; F512-Q523 HydrophobicContact CZ-CG 3.84Å; A519-Q523 VanDerWaalsContact O-CB 3.3Å; A519-Q523 WeakPolarHBondContact O-CB 3.37Å; A519-Q523 WeakPolarHBondContact O-CG 3.46Å; A519-Q523 PolarHBondContact O-N 2.92Å; V520-Q523 PolarHBondContact O-N 3.04Å; I521-Q523 VanDerWaalsContact C-N 3.29Å; I521-Q523 PolarHBondContact O-N 3.04Å; Q523-D525 PolarHBondContact O-N 3.35Å; Q523-Q526 WeakPolarHBondContact O-CB 3.24Å; Q523-Q526 PolarHBondContact O-N 2.97Å
524	L	84.4	Confident	76.8	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.2	171.4	-62.9	175.2	0	0	0	113.2	M397 I430 M434 F479 L487 L490 V520 I521 Q522 Q526	M397-L524 HydrophobicContact CE-CD2 3.62Å; M397-L524 HydrophobicContact CE-CG 4.32Å; I430-L524 HydrophobicContact CD1-CD2 4.11Å; M434-L524 HydrophobicContact CE-CD2 4.22Å; F479-L524 WeakPolarHBondContact CE1-O 3.45Å; F479-L524 HydrophobicContact CE2-CD2 4.3Å; F479-L524 HydrophobicContact CZ-CB 4.3Å; F479-L524 HydrophobicContact CZ-CD2 3.9Å; L487-L524 HydrophobicContact CB-CD1 4.48Å; L490-L524 HydrophobicContact CD2-CD1 4.2Å; V520-L524 PolarHBondContact O-N 3.08Å; I521-L524 PolarHBondContact O-N 2.67Å; Q522-L524 VanDerWaalsContact C-N 3.25Å; Q522-L524 PolarHBondContact O-N 3.4Å; L524-Q526 PolarHBondContact O-N 3.29Å
525	D	77.7	Confident	78.5	Confident	30 Å²	30	20.9 Å²	20.9	16%	0.16	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.7	173.6	-80.2	-31.8	0	0	0	113.2	K483 Q522 Q523 V527 H528 Q529	K483-D525 IonicContact NZ-OD1 3.31Å; K483-D525 PolarHBondContact NZ-OD1 2.9Å; Q522-D525 PolarHBondContact O-N 2.97Å; Q523-D525 PolarHBondContact O-N 3.35Å; D525-V527 PolarHBondContact O-N 3.25Å; D525-V527 VanDerWaalsContact O-N 3.16Å; D525-H528 PolarHBondContact O-N 2.7Å; D525-Q529 WeakPolarHBondContact O-CG 3.41Å; D525-Q529 PolarHBondContact O-N 2.85Å
526	Q	83.8	Confident	80.3	Confident	43 Å²	43	18.8 Å²	18.8	20%	0.201	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-27.5	-171.6	-172.6	57.4	89.6	0	0	112.8	Y390 Y393 Q523 L524 N530	Y390-Q526 HydrophobicContact CD2-CG 4.11Å; Y390-Q526 HydrophobicContact CE2-CG 4.37Å; Y393-Q526 HydrophobicContact CD1-CB 4.19Å; Y393-Q526 HydrophobicContact CD1-CG 3.8Å; Y393-Q526 HydrophobicContact CD2-CB 4.1Å; Y393-Q526 HydrophobicContact CD2-CG 4.07Å; Y393-Q526 HydrophobicContact CE1-CB 3.93Å; Y393-Q526 HydrophobicContact CE1-CG 4.04Å; Y393-Q526 HydrophobicContact CE2-CB 3.82Å; Y393-Q526 HydrophobicContact CE2-CG 4.28Å; Y393-Q526 HydrophobicContact CG-CB 4.27Å; Y393-Q526 HydrophobicContact CG-CG 3.82Å; Q523-Q526 WeakPolarHBondContact O-CB 3.24Å; Q523-Q526 PolarHBondContact O-N 2.97Å; L524-Q526 PolarHBondContact O-N 3.29Å; Q526-N530 VanDerWaalsContact O-CB 3.24Å; Q526-N530 WeakPolarHBondContact O-CB 3.26Å; Q526-N530 PolarHBondContact O-N 2.81Å
527	V	86.5	Confident	81.9	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-50.9	171.4	-179.6	0	0	0	0	111.4	Y393 M434 C476 F479 L480 D525 F531	Y393-V527 HydrophobicContact CE1-CG2 3.92Å; Y393-V527 WeakPolarHBondContact OH-CG2 3.36Å; M434-V527 HydrophobicContact CE-CG2 4.34Å; C476-V527 HydrophobicContact CB-CG1 3.98Å; F479-V527 HydrophobicContact CD1-CB 3.66Å; F479-V527 HydrophobicContact CD1-CG1 3.67Å; F479-V527 HydrophobicContact CD1-CG2 3.66Å; F479-V527 HydrophobicContact CE1-CB 3.7Å; F479-V527 HydrophobicContact CE1-CG1 4.25Å; F479-V527 HydrophobicContact CE1-CG2 3.52Å; F479-V527 HydrophobicContact CG-CG1 4.41Å; F479-V527 HydrophobicContact CG-CG2 4.34Å; F479-V527 HydrophobicContact CZ-CG2 4.12Å; L480-V527 HydrophobicContact CD2-CB 4.44Å; L480-V527 HydrophobicContact CD2-CG1 4.06Å; L480-V527 HydrophobicContact CG-CG1 4.33Å; D525-V527 PolarHBondContact O-N 3.25Å; D525-V527 VanDerWaalsContact O-N 3.16Å; V527-F531 WeakPolarHBondContact O-CB 2.95Å; V527-F531 PolarHBondContact O-N 2.93Å
528	H	82.6	Confident	83.3	Confident	22 Å²	22	12.7 Å²	12.7	10%	0.102	6%	0.062	C	C	.	.	H	α-helix	trans	-64.7	-44.2	179.4	-177.7	-123.1	0	0	0	110.9	L480 D525 N530 F531 M532 N570	L480-H528 HydrophobicContact CD2-CB 3.58Å; D525-H528 PolarHBondContact O-N 2.7Å; H528-N530 PolarHBondContact O-N 3.36Å; H528-F531 PolarHBondContact O-N 3.01Å; H528-M532 WeakPolarHBondContact O-CB 3.46Å; H528-M532 WeakPolarHBondContact O-CG 3.27Å; H528-M532 PolarHBondContact O-N 3.04Å; H528-N570 PolarHBondContact NE2-OD1 3.07Å
529	Q	79.3	Confident	84.3	Confident	10 Å²	10	13.3 Å²	13.3	5%	0.047	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-41.8	-178.3	-67.9	-178.6	-3.7	0	0	112.2	D525 M532 R533 L595 E596 P597	D525-Q529 WeakPolarHBondContact O-CG 3.41Å; D525-Q529 PolarHBondContact O-N 2.85Å; Q529-M532 PolarHBondContact O-N 2.81Å; Q529-R533 VanDerWaalsContact O-CB 3.27Å; Q529-R533 WeakPolarHBondContact O-CB 3.43Å; Q529-R533 PolarHBondContact O-N 3.46Å; Q529-L595 HydrophobicContact CB-CB 4.19Å; Q529-L595 HydrophobicContact CG-CB 4.3Å; Q529-L595 PolarHBondContact OE1-O 2.79Å; Q529-E596 VanDerWaalsContact NE2-C 3.26Å; Q529-E596 PolarHBondContact NE2-O 2.92Å; Q529-E596 PolarHBondContact OE1-O 3.49Å; Q529-P597 VanDerWaalsContact OE1-CD 3.31Å
530	N	86.7	Confident	84.8	Confident	3 Å²	3	14 Å²	14	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-71	-41.9	177.2	-172.5	68.4	0	0	0	112.2	V386 Y390 Q526 H528 M532 R533 Y534	V386-N530 WeakPolarHBondContact CG1-OD1 3.44Å; Y390-N530 HydrophobicContact CD1-CB 4.37Å; Y390-N530 WeakPolarHBondContact CD1-ND2 3.45Å; Y390-N530 HydrophobicContact CD2-CB 3.4Å; Y390-N530 VanDerWaalsContact CD2-CB 3.4Å; Y390-N530 HydrophobicContact CE1-CB 4.45Å; Y390-N530 WeakPolarHBondContact CE1-ND2 3.5Å; Y390-N530 HydrophobicContact CE2-CB 3.55Å; Y390-N530 HydrophobicContact CG-CB 3.85Å; Y390-N530 VanDerWaalsContact CG-CG 3.41Å; Y390-N530 VanDerWaalsContact CG-ND2 3.25Å; Q526-N530 VanDerWaalsContact O-CB 3.24Å; Q526-N530 WeakPolarHBondContact O-CB 3.26Å; Q526-N530 PolarHBondContact O-N 2.81Å; H528-N530 PolarHBondContact O-N 3.36Å; N530-M532 PolarHBondContact O-N 2.89Å; N530-R533 PolarHBondContact O-N 3.28Å; N530-Y534 WeakPolarHBondContact ND2-CE2 3.45Å; N530-Y534 VanDerWaalsContact ND2-CZ 3.32Å; N530-Y534 PolarHBondContact ND2-OH 3.16Å; N530-Y534 VanDerWaalsContact O-CD2 3.24Å; N530-Y534 WeakPolarHBondContact O-CD2 3.48Å; N530-Y534 WeakPolarHBondContact O-CE2 3.39Å
531	F	85.4	Confident	85.3	Confident	1 Å²	1	14 Å²	14	0%	0.004	7%	0.065	C	C	.	.	H	α-helix	trans	-53	-42.1	171.9	171.4	-95.9	0	0	0	112.3	L473 C476 L480 V527 H528 V565 T566 V569	L473-F531 HydrophobicContact CB-CD2 4Å; L473-F531 HydrophobicContact CB-CE2 3.97Å; C476-F531 HydrophobicContact CB-CD2 4.15Å; L480-F531 HydrophobicContact CD1-CD1 4.25Å; L480-F531 HydrophobicContact CD1-CG 4.32Å; V527-F531 WeakPolarHBondContact O-CB 2.95Å; V527-F531 PolarHBondContact O-N 2.93Å; H528-F531 PolarHBondContact O-N 3.01Å; F531-V565 HydrophobicContact CE2-CG1 3.79Å; F531-V565 HydrophobicContact CZ-CG1 3.9Å; F531-T566 HydrophobicContact CD1-CG2 4.16Å; F531-T566 HydrophobicContact CE1-CG2 3.74Å; F531-T566 HydrophobicContact CZ-CG2 4.11Å; F531-V569 HydrophobicContact CE1-CB 3.78Å; F531-V569 HydrophobicContact CE1-CG1 3.86Å; F531-V569 HydrophobicContact CE1-CG2 4.14Å; F531-V569 HydrophobicContact CE2-CG2 4.26Å; F531-V569 HydrophobicContact CZ-CB 3.67Å; F531-V569 HydrophobicContact CZ-CG1 4.05Å; F531-V569 HydrophobicContact CZ-CG2 3.5Å; F531-V569 VanDerWaalsContact CZ-CG2 3.5Å
532	M	82	Confident	85.7	Confident	4 Å²	4	13.5 Å²	13.5	2%	0.02	6%	0.064	C	C	.	.	H	α-helix	trans	-73.6	-30.2	175.6	-67.7	-68.2	-78.8	0	0	113.7	H528 Q529 N530 Y534 T566 N570 T578 L581 L595	H528-M532 WeakPolarHBondContact O-CB 3.46Å; H528-M532 WeakPolarHBondContact O-CG 3.27Å; H528-M532 PolarHBondContact O-N 3.04Å; Q529-M532 PolarHBondContact O-N 2.81Å; N530-M532 PolarHBondContact O-N 2.89Å; M532-Y534 PolarHBondContact O-N 3.13Å; M532-T566 HydrophobicContact SD-CG2 3.99Å; M532-N570 WeakPolarHBondContact CE-ND2 3.41Å; M532-N570 PolarHBondContact SD-ND2 2.8Å; M532-T578 HydrophobicContact CE-CG2 3.81Å; M532-T578 HydrophobicContact SD-CG2 4.4Å; M532-L581 HydrophobicContact CE-CD1 4.26Å; M532-L595 HydrophobicContact CB-CD1 3.73Å; M532-L595 HydrophobicContact CB-CD2 4.48Å
533	R	86.3	Confident	86.4	Confident	41 Å²	41	16.5 Å²	16.5	16%	0.155	8%	0.078	C	C	.	.	H	α-helix	trans	-69.4	-30.7	-171.6	-175.1	165.7	-173.8	155.8	5.2	113.8	E382 V386 Q529 N530 K535 L536 L537 L595	E382-R533 IonicContact OE1-CZ 3.96Å; E382-R533 IonicContact OE1-NE 3.4Å; E382-R533 IonicContact OE1-NH2 3.16Å; E382-R533 PolarHBondContact OE1-NH2 2.69Å; V386-R533 HydrophobicContact CG1-CG 4.44Å; Q529-R533 VanDerWaalsContact O-CB 3.27Å; Q529-R533 WeakPolarHBondContact O-CB 3.43Å; Q529-R533 PolarHBondContact O-N 3.46Å; N530-R533 PolarHBondContact O-N 3.28Å; R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.93Å; R533-L536 WeakPolarHBondContact O-CB 3.28Å; R533-L536 PolarHBondContact O-N 2.79Å; R533-L537 HydrophobicContact CG-CD1 4.05Å; R533-L537 HydrophobicContact CG-CG 3.97Å; R533-L537 WeakPolarHBondContact O-CG 3.45Å; R533-L537 PolarHBondContact O-N 3.09Å; R533-L595 HydrophobicContact CB-CD1 4.19Å
534	Y	90.7	Very high	86.8	Confident	3 Å²	3	17.3 Å²	17.3	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-56.2	-38.9	-179.9	-64	-68.9	0	0	0	113.3	Q387 H441 L444 L473 N530 M532 L537 M538	Q387-Y534 PolarHBondContact OE1-OH 2.81Å; H441-Y534 PolarHBondContact CE1-OH 2.77Å; H441-Y534 PolarHBondContact ND1-OH 2.98Å; L444-Y534 HydrophobicContact CD2-CE1 3.9Å; L473-Y534 HydrophobicContact CD1-CD2 3.59Å; L473-Y534 HydrophobicContact CD1-CE2 4.09Å; L473-Y534 HydrophobicContact CD1-CG 4.25Å; L473-Y534 HydrophobicContact CD2-CD2 4.03Å; L473-Y534 HydrophobicContact CD2-CE2 3.62Å; L473-Y534 HydrophobicContact CG-CD2 4.49Å; N530-Y534 WeakPolarHBondContact ND2-CE2 3.45Å; N530-Y534 VanDerWaalsContact ND2-CZ 3.32Å; N530-Y534 PolarHBondContact ND2-OH 3.16Å; N530-Y534 VanDerWaalsContact O-CD2 3.24Å; N530-Y534 WeakPolarHBondContact O-CD2 3.48Å; N530-Y534 WeakPolarHBondContact O-CE2 3.39Å; M532-Y534 PolarHBondContact O-N 3.13Å; Y534-L537 PolarHBondContact O-N 3.33Å; Y534-M538 PolarHBondContact O-N 2.78Å
535	K	88.8	Confident	87.1	Confident	9 Å²	9	17.5 Å²	17.5	4%	0.039	8%	0.082	C	C	.	.	H	α-helix	trans	-64.2	-44.2	175	172.6	167.1	158.2	176.8	0	110.9	R533 L537 M538 L539 L562 E563 T578	R533-K535 VanDerWaalsContact C-N 3.27Å; R533-K535 PolarHBondContact O-N 2.93Å; K535-L537 VanDerWaalsContact C-N 3.34Å; K535-L537 PolarHBondContact O-N 3.48Å; K535-M538 PolarHBondContact O-N 3.4Å; K535-L539 HydrophobicContact CD-CD1 4.37Å; K535-L539 HydrophobicContact CG-CD1 3.71Å; K535-L539 HydrophobicContact CG-CG 4.14Å; K535-L539 VanDerWaalsContact O-CB 3.29Å; K535-L539 WeakPolarHBondContact O-CB 3.46Å; K535-L539 WeakPolarHBondContact O-CD1 3.03Å; K535-L539 WeakPolarHBondContact O-CG 3.34Å; K535-L539 PolarHBondContact O-N 3.32Å; K535-L562 HydrophobicContact CB-CB 4.1Å; K535-E563 IonicContact NZ-OE1 3.65Å; K535-E563 PolarHBondContact NZ-OE1 3.09Å; K535-E563 IonicContact NZ-OE2 3.75Å; K535-E563 PolarHBondContact NZ-OE2 3.21Å; K535-T578 HydrophobicContact CD-CG2 3.9Å
536	L	84.8	Confident	87.7	Confident	7 Å²	7	20.7 Å²	20.7	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-39	179.1	-56.8	-174.2	0	0	0	112.3	R533 L539 R540 T582 Y585 V594 L595	R533-L536 WeakPolarHBondContact O-CB 3.28Å; R533-L536 PolarHBondContact O-N 2.79Å; L536-L539 HydrophobicContact CD2-CD1 4.44Å; L536-R540 WeakPolarHBondContact O-CB 3.5Å; L536-R540 PolarHBondContact O-N 2.86Å; L536-R540 VanDerWaalsContact O-N 3.07Å; L536-T582 HydrophobicContact CD2-CG2 4.37Å; L536-T582 WeakPolarHBondContact CD2-OG1 3.37Å; L536-Y585 HydrophobicContact CB-CD1 3.98Å; L536-Y585 HydrophobicContact CB-CE1 3.81Å; L536-Y585 HydrophobicContact CD1-CD1 4.13Å; L536-Y585 HydrophobicContact CD1-CD2 4.17Å; L536-Y585 HydrophobicContact CD1-CG 3.91Å; L536-Y585 HydrophobicContact CD2-CD1 3.87Å; L536-Y585 HydrophobicContact CD2-CG 4.21Å; L536-Y585 HydrophobicContact CG-CD1 4.2Å; L536-Y585 HydrophobicContact CG-CG 4.46Å; L536-V594 HydrophobicContact CD1-CG2 4.4Å; L536-L595 HydrophobicContact CD1-CD1 3.64Å; L536-L595 HydrophobicContact CD1-CG 4.2Å
537	L	89.6	Confident	87.6	Confident	4 Å²	4	24 Å²	24	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-46	175.1	-66.1	173.7	0	0	0	111.9	E382 F383 V386 R533 Y534 K535 R540 Y541	E382-L537 HydrophobicContact CB-CD2 4.15Å; E382-L537 HydrophobicContact CG-CD2 3.63Å; E382-L537 VanDerWaalsContact OE1-CD2 3.31Å; E382-L537 WeakPolarHBondContact OE1-CD2 3.37Å; F383-L537 HydrophobicContact CD1-CB 3.96Å; F383-L537 HydrophobicContact CD1-CD1 3.69Å; F383-L537 HydrophobicContact CD1-CG 4.46Å; F383-L537 HydrophobicContact CD2-CB 4.47Å; F383-L537 HydrophobicContact CE1-CB 3.42Å; F383-L537 VanDerWaalsContact CE1-CB 3.42Å; F383-L537 HydrophobicContact CE1-CD1 3.97Å; F383-L537 HydrophobicContact CE1-CG 4.35Å; F383-L537 HydrophobicContact CE2-CB 4.01Å; F383-L537 HydrophobicContact CG-CB 4.46Å; F383-L537 HydrophobicContact CG-CD1 4.23Å; F383-L537 HydrophobicContact CZ-CB 3.47Å; F383-L537 VanDerWaalsContact CZ-CB 3.47Å; V386-L537 HydrophobicContact CB-CD1 4.23Å; V386-L537 HydrophobicContact CG1-CD1 4.14Å; V386-L537 HydrophobicContact CG2-CD1 4.28Å; R533-L537 HydrophobicContact CG-CD1 4.05Å; R533-L537 HydrophobicContact CG-CG 3.97Å; R533-L537 WeakPolarHBondContact O-CG 3.45Å; R533-L537 PolarHBondContact O-N 3.09Å; Y534-L537 PolarHBondContact O-N 3.33Å; K535-L537 VanDerWaalsContact C-N 3.34Å; K535-L537 PolarHBondContact O-N 3.48Å; L537-R540 PolarHBondContact O-N 2.66Å; L537-Y541 WeakPolarHBondContact O-CB 3.2Å; L537-Y541 PolarHBondContact O-N 3.27Å
538	M	92.4	Very high	87.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-37.2	179.9	-169.2	57.7	68.8	0	0	112.4	F383 I466 Y534 K535 Y541 S542 A555 A558 I559 L562	F383-M538 HydrophobicContact CE1-CE 4.42Å; F383-M538 HydrophobicContact CZ-CB 4.26Å; F383-M538 HydrophobicContact CZ-CE 3.82Å; F383-M538 HydrophobicContact CZ-SD 4.42Å; I466-M538 HydrophobicContact CB-CE 3.43Å; I466-M538 VanDerWaalsContact CB-CE 3.43Å; I466-M538 HydrophobicContact CG1-CE 3.54Å; I466-M538 HydrophobicContact CG2-CE 3.82Å; Y534-M538 PolarHBondContact O-N 2.78Å; K535-M538 PolarHBondContact O-N 3.4Å; M538-Y541 PolarHBondContact O-N 2.89Å; M538-Y541 HydrophobicContact SD-CD1 3.52Å; M538-Y541 VanDerWaalsContact SD-CD1 3.52Å; M538-Y541 HydrophobicContact SD-CE1 4.12Å; M538-Y541 HydrophobicContact SD-CG 4.31Å; M538-S542 WeakPolarHBondContact O-CB 3.42Å; M538-S542 PolarHBondContact O-N 3.22Å; M538-S542 PolarHBondContact O-OG 2.95Å; M538-A555 HydrophobicContact SD-CB 4.13Å; M538-A558 HydrophobicContact CE-CB 4.27Å; M538-A558 HydrophobicContact CG-CB 4.22Å; M538-I559 HydrophobicContact CB-CG1 3.95Å; M538-I559 HydrophobicContact CG-CD1 4.11Å; M538-I559 HydrophobicContact CG-CG1 3.58Å; M538-L562 HydrophobicContact CB-CD1 4.27Å
539	L	89.3	Confident	87.6	Confident	18 Å²	18	33.1 Å²	33.1	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-50.3	171.4	-78.3	170.4	0	0	0	111.5	K535 L536 Y541 S542 E543 I559 T582 Y586	K535-L539 HydrophobicContact CD-CD1 4.37Å; K535-L539 HydrophobicContact CG-CD1 3.71Å; K535-L539 HydrophobicContact CG-CG 4.14Å; K535-L539 VanDerWaalsContact O-CB 3.29Å; K535-L539 WeakPolarHBondContact O-CB 3.46Å; K535-L539 WeakPolarHBondContact O-CD1 3.03Å; K535-L539 WeakPolarHBondContact O-CG 3.34Å; K535-L539 PolarHBondContact O-N 3.32Å; L536-L539 HydrophobicContact CD2-CD1 4.44Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 2.94Å; L539-S542 PolarHBondContact O-N 3.18Å; L539-S542 PolarHBondContact O-OG 3.26Å; L539-E543 PolarHBondContact O-N 3.06Å; L539-I559 HydrophobicContact CD2-CD1 3.88Å; L539-I559 HydrophobicContact CD2-CG1 4.23Å; L539-I559 HydrophobicContact CD2-CG2 3.92Å; L539-I559 HydrophobicContact CG-CD1 4.35Å; L539-I559 HydrophobicContact CG-CG1 4.36Å; L539-I559 HydrophobicContact CG-CG2 4.44Å; L539-T582 HydrophobicContact CD1-CG2 3.51Å; L539-Y586 HydrophobicContact CB-CE2 4.46Å; L539-Y586 WeakPolarHBondContact CB-OH 3.42Å; L539-Y586 HydrophobicContact CD1-CE2 3.94Å; L539-Y586 HydrophobicContact CD2-CE2 4.24Å; L539-Y586 VanDerWaalsContact CD2-OH 3.32Å; L539-Y586 WeakPolarHBondContact CD2-OH 3.32Å; L539-Y586 HydrophobicContact CG-CE2 4.46Å
540	R	86.9	Confident	88.2	Confident	21 Å²	21	38 Å²	38	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-37.2	176.8	-174	-177.6	-177.7	-161.6	0.8	112.8	E382 L536 L537 E543 Y544	E382-R540 IonicContact OE2-CZ 2.83Å; E382-R540 IonicContact OE2-NH1 2.83Å; E382-R540 PolarHBondContact OE2-NH1 2.85Å; L536-R540 WeakPolarHBondContact O-CB 3.5Å; L536-R540 PolarHBondContact O-N 2.86Å; L536-R540 VanDerWaalsContact O-N 3.07Å; L537-R540 PolarHBondContact O-N 2.66Å; R540-E543 VanDerWaalsContact O-CB 3.3Å; R540-E543 WeakPolarHBondContact O-CB 3.47Å; R540-E543 PolarHBondContact O-N 3Å; R540-Y544 HydrophobicContact CG-CE2 4.03Å; R540-Y544 PolarHBondContact NE-OH 2.95Å
541	Y	92.4	Very high	88.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-45.1	174.6	173.6	-99.4	0	0	0	111.6	L376 A379 F383 W455 P460 N461 M462 S463 L537 M538 L539 E543 Y544 L545 E551	L376-Y541 HydrophobicContact CD1-CD2 3.58Å; L376-Y541 HydrophobicContact CD1-CE2 3.55Å; L376-Y541 HydrophobicContact CD1-CG 4.32Å; L376-Y541 HydrophobicContact CG-CE2 4.5Å; A379-Y541 HydrophobicContact CB-CD2 4.38Å; F383-Y541 HydrophobicContact CE2-CG 4.41Å; W455-Y541 AromaticContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CH2-CE2 3.67Å; W455-Y541 HydrophobicContact CZ2-CE2 4.16Å; P460-Y541 WeakPolarHBondContact CB-OH 3.43Å; N461-Y541 PolarHBondContact N-OH 2.76Å; M462-Y541 HydrophobicContact CB-CE1 4.14Å; M462-Y541 HydrophobicContact CB-CE2 3.82Å; M462-Y541 WeakPolarHBondContact CB-OH 3.46Å; M462-Y541 PolarHBondContact N-OH 2.97Å; M462-Y541 VanDerWaalsContact N-OH 3.08Å; S463-Y541 WeakPolarHBondContact OG-CE1 3.24Å; L537-Y541 WeakPolarHBondContact O-CB 3.2Å; L537-Y541 PolarHBondContact O-N 3.27Å; M538-Y541 PolarHBondContact O-N 2.89Å; M538-Y541 HydrophobicContact SD-CD1 3.52Å; M538-Y541 VanDerWaalsContact SD-CD1 3.52Å; M538-Y541 HydrophobicContact SD-CE1 4.12Å; M538-Y541 HydrophobicContact SD-CG 4.31Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 2.94Å; Y541-E543 PolarHBondContact O-N 2.94Å; Y541-Y544 PolarHBondContact O-N 3.29Å; Y541-Y544 VanDerWaalsContact O-N 3.15Å; Y541-L545 HydrophobicContact CD1-CD1 4.17Å; Y541-L545 HydrophobicContact CE1-CD1 3.91Å; Y541-L545 HydrophobicContact CE1-CD2 4.35Å; Y541-L545 HydrophobicContact CE1-CG 4.42Å; Y541-E551 HydrophobicContact CE1-CG 4.25Å; Y541-E551 PolarHBondContact OH-OE1 2.7Å
542	S	92.4	Very high	88.8	Confident	16 Å²	16	39.9 Å²	39.9	11%	0.112	20%	0.204	C	C	.	.	H	α-helix	trans	-64.5	-22.1	178.2	72.3	0	0	0	0	114.4	M538 L539 Y544 L545 K552	M538-S542 WeakPolarHBondContact O-CB 3.42Å; M538-S542 PolarHBondContact O-N 3.22Å; M538-S542 PolarHBondContact O-OG 2.95Å; L539-S542 PolarHBondContact O-N 3.18Å; L539-S542 PolarHBondContact O-OG 3.26Å; S542-Y544 VanDerWaalsContact C-N 3.26Å; S542-Y544 PolarHBondContact O-N 2.9Å; S542-L545 PolarHBondContact O-N 2.98Å; S542-K552 WeakPolarHBondContact O-CE 3.26Å
543	E	89.6	Confident	89.3	Confident	105 Å²	105	45.8 Å²	45.8	49%	0.491	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-27.1	174.8	-163.9	-171	138.6	0	0	112.7	L539 R540 Y541	L539-E543 PolarHBondContact O-N 3.06Å; R540-E543 VanDerWaalsContact O-CB 3.3Å; R540-E543 WeakPolarHBondContact O-CB 3.47Å; R540-E543 PolarHBondContact O-N 3Å; Y541-E543 PolarHBondContact O-N 2.94Å
544	Y	90.6	Very high	89.7	Confident	26 Å²	26	47.5 Å²	47.5	10%	0.102	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	2.9	-176.9	-47.4	-38.6	0	0	0	113.4	R372 K375 A379 R540 Y541 S542	R372-Y544 WeakPolarHBondContact CD-O 3.15Å; R372-Y544 WeakPolarHBondContact CG-O 3.24Å; R372-Y544 PolarHBondContact NH1-O 3.28Å; K375-Y544 VanDerWaalsContact C-CD2 3.49Å; K375-Y544 HydrophobicContact CB-CD1 4.1Å; K375-Y544 HydrophobicContact CB-CD2 3.7Å; K375-Y544 HydrophobicContact CB-CE1 4.26Å; K375-Y544 HydrophobicContact CB-CE2 3.84Å; K375-Y544 HydrophobicContact CB-CG 3.86Å; K375-Y544 HydrophobicContact CD-CD1 4.41Å; K375-Y544 HydrophobicContact CD-CE1 4.26Å; K375-Y544 WeakPolarHBondContact O-CD2 3.36Å; A379-Y544 HydrophobicContact CB-CD2 4.07Å; A379-Y544 HydrophobicContact CB-CE2 4.18Å; R540-Y544 HydrophobicContact CG-CE2 4.03Å; R540-Y544 PolarHBondContact NE-OH 2.95Å; Y541-Y544 PolarHBondContact O-N 3.29Å; Y541-Y544 VanDerWaalsContact O-N 3.15Å; S542-Y544 VanDerWaalsContact C-N 3.26Å; S542-Y544 PolarHBondContact O-N 2.9Å
545	L	91.7	Very high	89.8	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	24%	0.239	C	C	.	.	S	Bend	trans	-82.8	138.2	170.9	-63.2	177.3	0	0	0	110.5	L376 P460 Y541 S542 E551 K552 A555	L376-L545 HydrophobicContact CD1-CD2 3.83Å; L376-L545 HydrophobicContact CD1-CG 4.37Å; L376-L545 HydrophobicContact CD2-CD2 3.95Å; P460-L545 HydrophobicContact CB-CD2 3.95Å; P460-L545 HydrophobicContact CG-CD2 3.66Å; Y541-L545 HydrophobicContact CD1-CD1 4.17Å; Y541-L545 HydrophobicContact CE1-CD1 3.91Å; Y541-L545 HydrophobicContact CE1-CD2 4.35Å; Y541-L545 HydrophobicContact CE1-CG 4.42Å; S542-L545 PolarHBondContact O-N 2.98Å; L545-E551 HydrophobicContact CD1-CB 4.42Å; L545-E551 HydrophobicContact CD1-CG 3.93Å; L545-E551 HydrophobicContact CD2-CG 4.02Å; L545-K552 HydrophobicContact CB-CB 4.14Å; L545-K552 HydrophobicContact CB-CD 4.03Å; L545-K552 HydrophobicContact CB-CG 4.11Å; L545-K552 HydrophobicContact CD1-CB 4.07Å; L545-K552 HydrophobicContact CD1-CG 4.32Å; L545-K552 PolarHBondContact O-NZ 2.84Å; L545-A555 HydrophobicContact CD1-CB 3.97Å
546	I	89.3	Confident	90	Very high	97 Å²	97	52.7 Å²	52.7	50%	0.497	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-59.7	141	171.7	-44.7	178.1	0	0	0	108.7	C549 K552	I546-C549 PolarHBondContact O-SG 3.25Å; I546-C549 VanDerWaalsContact O-SG 3.34Å; I546-K552 VanDerWaalsContact O-CD 3.25Å; I546-K552 WeakPolarHBondContact O-CD 3.09Å
547	D	81.4	Confident	90.5	Very high	111 Å²	111	57.2 Å²	57.2	59%	0.594	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	156.1	168.3	-62.4	-69.4	0	0	0	111.8	C549 K552	D547-C549 PolarHBondContact O-N 3.17Å; D547-K552 VanDerWaalsContact CG-NZ 3.25Å; D547-K552 WeakPolarHBondContact OD1-CE 3.38Å; D547-K552 IonicContact OD1-NZ 2.65Å; D547-K552 PolarHBondContact OD1-NZ 3.01Å; D547-K552 IonicContact OD2-NZ 2.68Å; D547-K552 PolarHBondContact OD2-NZ 3.48Å
548	D	81.3	Confident	90.7	Very high	173 Å²	173	57 Å²	57	93%	0.925	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	10.1	-179.4	-50.2	-32	0	0	0	117.4
549	C	88.9	Confident	90.7	Very high	42 Å²	42	58 Å²	58	28%	0.284	29%	0.29	S	S	.	.			trans	-88.7	141.1	173.7	88.8	0	0	0	0	113.3	I546 D547 E551 K552 E553	I546-C549 PolarHBondContact O-SG 3.25Å; I546-C549 VanDerWaalsContact O-SG 3.34Å; D547-C549 PolarHBondContact O-N 3.17Å; C549-E551 PolarHBondContact O-N 2.68Å; C549-K552 WeakPolarHBondContact O-CB 3.4Å; C549-K552 PolarHBondContact O-N 2.88Å; C549-E553 PolarHBondContact O-N 3.43Å
550	D	91	Very high	90.8	Very high	112 Å²	112	62 Å²	62	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-35.4	-45.9	171.5	-95.4	60.7	0	0	0	115.2	K552 K554	D550-K552 VanDerWaalsContact C-N 3.27Å; D550-K552 PolarHBondContact O-N 2.92Å; D550-K554 WeakPolarHBondContact O-CD 3.48Å; D550-K554 WeakPolarHBondContact O-CE 3.32Å; D550-K554 WeakPolarHBondContact O-CG 3.18Å; D550-K554 PolarHBondContact O-N 3.36Å; D550-K554 IonicContact OD2-NZ 2.69Å; D550-K554 PolarHBondContact OD2-NZ 2.76Å
551	E	93.2	Very high	91	Very high	13 Å²	13	64.3 Å²	64.3	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-73.7	-22.4	-173.5	-179.8	65.5	174.4	0	0	111.9	P460 N461 M462 S463 Y541 L545 C549 A555	P460-E551 HydrophobicContact CB-CG 4.06Å; P460-E551 HydrophobicContact CG-CB 4.27Å; P460-E551 HydrophobicContact CG-CG 4.02Å; P460-E551 WeakPolarHBondContact O-CG 3.39Å; N461-E551 WeakPolarHBondContact CA-OE1 3.46Å; N461-E551 PolarHBondContact N-OE1 2.85Å; M462-E551 PolarHBondContact N-OE1 3.09Å; S463-E551 VanDerWaalsContact CB-OE1 3.27Å; S463-E551 WeakPolarHBondContact CB-OE1 3.47Å; S463-E551 WeakPolarHBondContact CB-OE2 3.21Å; S463-E551 PolarHBondContact N-OE1 2.99Å; S463-E551 PolarHBondContact OG-O 2.92Å; S463-E551 PolarHBondContact OG-OE1 3.49Å; Y541-E551 HydrophobicContact CE1-CG 4.25Å; Y541-E551 PolarHBondContact OH-OE1 2.7Å; L545-E551 HydrophobicContact CD1-CB 4.42Å; L545-E551 HydrophobicContact CD1-CG 3.93Å; L545-E551 HydrophobicContact CD2-CG 4.02Å; C549-E551 PolarHBondContact O-N 2.68Å; E551-A555 VanDerWaalsContact O-CB 3.26Å; E551-A555 WeakPolarHBondContact O-CB 3.24Å; E551-A555 PolarHBondContact O-N 2.84Å
552	K	92.4	Very high	91	Very high	31 Å²	31	64.4 Å²	64.4	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-78	-39	176	-159	166.7	-169.6	169	0	111.5	S542 L545 I546 D547 C549 D550 A555 Q556	S542-K552 WeakPolarHBondContact O-CE 3.26Å; L545-K552 HydrophobicContact CB-CB 4.14Å; L545-K552 HydrophobicContact CB-CD 4.03Å; L545-K552 HydrophobicContact CB-CG 4.11Å; L545-K552 HydrophobicContact CD1-CB 4.07Å; L545-K552 HydrophobicContact CD1-CG 4.32Å; L545-K552 PolarHBondContact O-NZ 2.84Å; I546-K552 VanDerWaalsContact O-CD 3.25Å; I546-K552 WeakPolarHBondContact O-CD 3.09Å; D547-K552 VanDerWaalsContact CG-NZ 3.25Å; D547-K552 WeakPolarHBondContact OD1-CE 3.38Å; D547-K552 IonicContact OD1-NZ 2.65Å; D547-K552 PolarHBondContact OD1-NZ 3.01Å; D547-K552 IonicContact OD2-NZ 2.68Å; D547-K552 PolarHBondContact OD2-NZ 3.48Å; C549-K552 WeakPolarHBondContact O-CB 3.4Å; C549-K552 PolarHBondContact O-N 2.88Å; D550-K552 VanDerWaalsContact C-N 3.27Å; D550-K552 PolarHBondContact O-N 2.92Å; K552-A555 WeakPolarHBondContact O-CB 3.41Å; K552-A555 PolarHBondContact O-N 2.96Å; K552-Q556 VanDerWaalsContact O-CG 3.32Å; K552-Q556 WeakPolarHBondContact O-CG 3.34Å; K552-Q556 PolarHBondContact O-N 2.84Å
553	E	92.6	Very high	90.8	Very high	127 Å²	127	65 Å²	65	59%	0.593	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-49	167.3	-175.3	-171.1	-151.5	0	0	110.3	C549 A555 Q556 E557	C549-E553 PolarHBondContact O-N 3.43Å; E553-A555 VanDerWaalsContact C-N 3.26Å; E553-A555 PolarHBondContact O-N 2.66Å; E553-Q556 WeakPolarHBondContact O-CB 3.37Å; E553-Q556 PolarHBondContact O-N 3.35Å; E553-Q556 VanDerWaalsContact O-N 3.11Å; E553-E557 PolarHBondContact O-N 3.2Å
554	K	93.5	Very high	90.7	Very high	77 Å²	77	64.4 Å²	64.4	34%	0.335	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-33.9	176.2	-66.2	158.5	-161	169.8	0	112	S463 D550 A558	S463-K554 VanDerWaalsContact CB-C 3.5Å; D550-K554 WeakPolarHBondContact O-CD 3.48Å; D550-K554 WeakPolarHBondContact O-CE 3.32Å; D550-K554 WeakPolarHBondContact O-CG 3.18Å; D550-K554 PolarHBondContact O-N 3.36Å; D550-K554 IonicContact OD2-NZ 2.69Å; D550-K554 PolarHBondContact OD2-NZ 2.76Å; K554-A558 WeakPolarHBondContact O-CB 3.18Å; K554-A558 PolarHBondContact O-N 3.26Å
555	A	94.1	Very high	90.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.9	-44.3	174.3	0	0	0	0	0	111.4	S463 M538 L545 E551 K552 E553 A558 I559	S463-A555 WeakPolarHBondContact OG-CA 3.39Å; S463-A555 VanDerWaalsContact OG-CB 3.27Å; S463-A555 WeakPolarHBondContact OG-CB 3.25Å; S463-A555 PolarHBondContact OG-N 2.86Å; M538-A555 HydrophobicContact SD-CB 4.13Å; L545-A555 HydrophobicContact CD1-CB 3.97Å; E551-A555 VanDerWaalsContact O-CB 3.26Å; E551-A555 WeakPolarHBondContact O-CB 3.24Å; E551-A555 PolarHBondContact O-N 2.84Å; K552-A555 WeakPolarHBondContact O-CB 3.41Å; K552-A555 PolarHBondContact O-N 2.96Å; E553-A555 VanDerWaalsContact C-N 3.26Å; E553-A555 PolarHBondContact O-N 2.66Å; A555-A558 PolarHBondContact O-N 2.89Å; A555-I559 WeakPolarHBondContact O-CB 3.41Å; A555-I559 WeakPolarHBondContact O-CD1 3.28Å; A555-I559 VanDerWaalsContact O-CG1 3.24Å; A555-I559 WeakPolarHBondContact O-CG1 3.26Å; A555-I559 PolarHBondContact O-N 3.45Å
556	Q	93.7	Very high	90	Very high	121 Å²	121	63.1 Å²	63.1	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-43.5	175.9	-71.7	170.9	-2.2	0	0	111.5	K552 E553 A558 I559 Q560	K552-Q556 VanDerWaalsContact O-CG 3.32Å; K552-Q556 WeakPolarHBondContact O-CG 3.34Å; K552-Q556 PolarHBondContact O-N 2.84Å; E553-Q556 WeakPolarHBondContact O-CB 3.37Å; E553-Q556 PolarHBondContact O-N 3.35Å; E553-Q556 VanDerWaalsContact O-N 3.11Å; Q556-A558 VanDerWaalsContact C-N 3.33Å; Q556-A558 PolarHBondContact O-N 2.96Å; Q556-I559 PolarHBondContact O-N 3.04Å; Q556-Q560 PolarHBondContact O-N 3.14Å
557	E	93.4	Very high	89.7	Confident	103 Å²	103	62 Å²	62	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-55.8	-47.2	170.3	-80.3	-155.4	161.3	0	0	112	E553 Q560 K561	E553-E557 PolarHBondContact O-N 3.2Å; E557-Q560 PolarHBondContact O-N 3.34Å; E557-K561 WeakPolarHBondContact O-CB 3.32Å; E557-K561 WeakPolarHBondContact O-CD 3.42Å; E557-K561 VanDerWaalsContact O-CG 3.26Å; E557-K561 WeakPolarHBondContact O-CG 3.24Å; E557-K561 PolarHBondContact O-N 3.31Å; E557-K561 IonicContact OE2-NZ 2.77Å; E557-K561 PolarHBondContact OE2-NZ 3.28Å
558	A	93.8	Very high	89.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-40.5	-179.2	0	0	0	0	0	111.4	M538 K554 A555 Q556 K561 L562	M538-A558 HydrophobicContact CE-CB 4.27Å; M538-A558 HydrophobicContact CG-CB 4.22Å; K554-A558 WeakPolarHBondContact O-CB 3.18Å; K554-A558 PolarHBondContact O-N 3.26Å; A555-A558 PolarHBondContact O-N 2.89Å; Q556-A558 VanDerWaalsContact C-N 3.33Å; Q556-A558 PolarHBondContact O-N 2.96Å; A558-K561 PolarHBondContact O-N 3.43Å; A558-L562 WeakPolarHBondContact O-CB 3.37Å; A558-L562 WeakPolarHBondContact O-CG 3.43Å; A558-L562 PolarHBondContact O-N 3.16Å
559	I	92.8	Very high	89.1	Confident	21 Å²	21	51.3 Å²	51.3	11%	0.108	26%	0.258	C	S	.	.	H	α-helix	trans	-60	-47.2	173.2	-70.6	157.9	0	0	0	110.3	M538 L539 A555 Q556 K561 L562 E563	M538-I559 HydrophobicContact CB-CG1 3.95Å; M538-I559 HydrophobicContact CG-CD1 4.11Å; M538-I559 HydrophobicContact CG-CG1 3.58Å; L539-I559 HydrophobicContact CD2-CD1 3.88Å; L539-I559 HydrophobicContact CD2-CG1 4.23Å; L539-I559 HydrophobicContact CD2-CG2 3.92Å; L539-I559 HydrophobicContact CG-CD1 4.35Å; L539-I559 HydrophobicContact CG-CG1 4.36Å; L539-I559 HydrophobicContact CG-CG2 4.44Å; A555-I559 WeakPolarHBondContact O-CB 3.41Å; A555-I559 WeakPolarHBondContact O-CD1 3.28Å; A555-I559 VanDerWaalsContact O-CG1 3.24Å; A555-I559 WeakPolarHBondContact O-CG1 3.26Å; A555-I559 PolarHBondContact O-N 3.45Å; Q556-I559 PolarHBondContact O-N 3.04Å; I559-K561 PolarHBondContact O-N 3.41Å; I559-L562 PolarHBondContact O-N 3.35Å; I559-E563 VanDerWaalsContact O-CB 3.31Å; I559-E563 WeakPolarHBondContact O-CB 3.48Å; I559-E563 PolarHBondContact O-N 3.1Å
560	Q	92.8	Very high	88.4	Confident	100 Å²	100	49.5 Å²	49.5	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-35.9	179.8	-168.9	62.3	58.9	0	0	112.3	Q556 E557 E563 N564	Q556-Q560 PolarHBondContact O-N 3.14Å; E557-Q560 PolarHBondContact O-N 3.34Å; Q560-E563 WeakPolarHBondContact O-CB 3.32Å; Q560-E563 PolarHBondContact O-N 3.16Å; Q560-N564 PolarHBondContact NE2-OD1 3.31Å; Q560-N564 WeakPolarHBondContact O-CB 3.39Å; Q560-N564 PolarHBondContact O-N 3.17Å; Q560-N564 PolarHBondContact O-ND2 2.83Å; Q560-N564 PolarHBondContact O-OD1 3.49Å
561	K	90.8	Very high	87.5	Confident	71 Å²	71	51 Å²	51	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-46.3	173	-70.8	159.7	-171.7	166.9	0	110.8	A470 E557 A558 I559 N564 V565	A470-K561 HydrophobicContact CB-CB 3.87Å; E557-K561 WeakPolarHBondContact O-CB 3.32Å; E557-K561 WeakPolarHBondContact O-CD 3.42Å; E557-K561 VanDerWaalsContact O-CG 3.26Å; E557-K561 WeakPolarHBondContact O-CG 3.24Å; E557-K561 PolarHBondContact O-N 3.31Å; E557-K561 IonicContact OE2-NZ 2.77Å; E557-K561 PolarHBondContact OE2-NZ 3.28Å; A558-K561 PolarHBondContact O-N 3.43Å; I559-K561 PolarHBondContact O-N 3.41Å; K561-N564 PolarHBondContact O-N 2.77Å; K561-V565 WeakPolarHBondContact O-CG2 3.22Å; K561-V565 PolarHBondContact O-N 3Å; K561-V565 VanDerWaalsContact O-N 3.09Å
562	L	91.1	Very high	86.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-35.5	176.4	-67	167.9	0	0	0	113	I466 A470 L473 K535 M538 A558 I559 T566	I466-L562 HydrophobicContact CG2-CD1 3.91Å; A470-L562 HydrophobicContact CB-CD2 3.74Å; A470-L562 HydrophobicContact CB-CG 4.07Å; L473-L562 HydrophobicContact CD1-CD2 3.51Å; K535-L562 HydrophobicContact CB-CB 4.1Å; M538-L562 HydrophobicContact CB-CD1 4.27Å; A558-L562 WeakPolarHBondContact O-CB 3.37Å; A558-L562 WeakPolarHBondContact O-CG 3.43Å; A558-L562 PolarHBondContact O-N 3.16Å; I559-L562 PolarHBondContact O-N 3.35Å; L562-T566 WeakPolarHBondContact O-CB 3.43Å; L562-T566 VanDerWaalsContact O-CG2 3.26Å; L562-T566 WeakPolarHBondContact O-CG2 3.38Å; L562-T566 PolarHBondContact O-N 3.49Å; L562-T566 PolarHBondContact O-OG1 2.75Å
563	E	88.8	Confident	84.8	Confident	30 Å²	30	57 Å²	57	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-59.8	170.3	-179.3	90.4	-96	0	0	110.1	K535 I559 Q560 V565 T566 Q567	K535-E563 IonicContact NZ-OE1 3.65Å; K535-E563 PolarHBondContact NZ-OE1 3.09Å; K535-E563 IonicContact NZ-OE2 3.75Å; K535-E563 PolarHBondContact NZ-OE2 3.21Å; I559-E563 VanDerWaalsContact O-CB 3.31Å; I559-E563 WeakPolarHBondContact O-CB 3.48Å; I559-E563 PolarHBondContact O-N 3.1Å; Q560-E563 WeakPolarHBondContact O-CB 3.32Å; Q560-E563 PolarHBondContact O-N 3.16Å; E563-V565 VanDerWaalsContact C-N 3.25Å; E563-V565 PolarHBondContact O-N 3.47Å; E563-T566 PolarHBondContact O-N 3.4Å; E563-T566 VanDerWaalsContact O-N 3.16Å; E563-T566 PolarHBondContact O-OG1 2.83Å; E563-Q567 HydrophobicContact CG-CG 4.34Å; E563-Q567 VanDerWaalsContact CG-NE2 3.34Å; E563-Q567 WeakPolarHBondContact O-CB 3.39Å; E563-Q567 WeakPolarHBondContact O-CG 3.27Å; E563-Q567 PolarHBondContact O-N 2.78Å; E563-Q567 PolarHBondContact OE1-NE2 3.01Å
564	N	87.7	Confident	83.1	Confident	92 Å²	92	52.6 Å²	52.6	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-57	-39.9	-176.9	-65.4	-8.4	0	0	0	111.8	Q560 K561 A568	Q560-N564 PolarHBondContact NE2-OD1 3.31Å; Q560-N564 WeakPolarHBondContact O-CB 3.39Å; Q560-N564 PolarHBondContact O-N 3.17Å; Q560-N564 PolarHBondContact O-ND2 2.83Å; Q560-N564 PolarHBondContact O-OD1 3.49Å; K561-N564 PolarHBondContact O-N 2.77Å; N564-A568 WeakPolarHBondContact O-CB 3.43Å; N564-A568 PolarHBondContact O-N 3.05Å
565	V	85	Confident	81.3	Confident	4 Å²	4	50 Å²	50	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-46.5	177.9	175.9	0	0	0	0	111.8	L473 K474 F531 K561 E563 V569	L473-V565 HydrophobicContact CB-CG1 4.24Å; K474-V565 HydrophobicContact CG-CG1 4.07Å; F531-V565 HydrophobicContact CE2-CG1 3.79Å; F531-V565 HydrophobicContact CZ-CG1 3.9Å; K561-V565 WeakPolarHBondContact O-CG2 3.22Å; K561-V565 PolarHBondContact O-N 3Å; K561-V565 VanDerWaalsContact O-N 3.09Å; E563-V565 VanDerWaalsContact C-N 3.25Å; E563-V565 PolarHBondContact O-N 3.47Å; V565-V569 PolarHBondContact O-N 3.36Å
566	T	83.1	Confident	79.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.5	-37.3	-179.3	56.3	0	0	0	0	112.6	F531 M532 L562 E563 V569 N570 T578	F531-T566 HydrophobicContact CD1-CG2 4.16Å; F531-T566 HydrophobicContact CE1-CG2 3.74Å; F531-T566 HydrophobicContact CZ-CG2 4.11Å; M532-T566 HydrophobicContact SD-CG2 3.99Å; L562-T566 WeakPolarHBondContact O-CB 3.43Å; L562-T566 VanDerWaalsContact O-CG2 3.26Å; L562-T566 WeakPolarHBondContact O-CG2 3.38Å; L562-T566 PolarHBondContact O-N 3.49Å; L562-T566 PolarHBondContact O-OG1 2.75Å; E563-T566 PolarHBondContact O-N 3.4Å; E563-T566 VanDerWaalsContact O-N 3.16Å; E563-T566 PolarHBondContact O-OG1 2.83Å; T566-V569 PolarHBondContact O-N 2.91Å; T566-N570 WeakPolarHBondContact O-CB 3.17Å; T566-N570 VanDerWaalsContact O-CG 3.32Å; T566-N570 PolarHBondContact O-N 2.82Å; T566-N570 PolarHBondContact O-ND2 2.75Å; T566-N570 VanDerWaalsContact O-ND2 3.09Å; T566-T578 WeakPolarHBondContact CB-OG1 3.37Å; T566-T578 PolarHBondContact OG1-OG1 3.42Å
567	Q	81.7	Confident	77.7	Confident	73 Å²	73	48.3 Å²	48.3	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-48.2	175.6	-71.5	-169.8	15.2	0	0	111.8	E563 V569 N570 Q571	E563-Q567 HydrophobicContact CG-CG 4.34Å; E563-Q567 VanDerWaalsContact CG-NE2 3.34Å; E563-Q567 WeakPolarHBondContact O-CB 3.39Å; E563-Q567 WeakPolarHBondContact O-CG 3.27Å; E563-Q567 PolarHBondContact O-N 2.78Å; E563-Q567 PolarHBondContact OE1-NE2 3.01Å; Q567-V569 PolarHBondContact O-N 2.82Å; Q567-N570 PolarHBondContact O-N 3.05Å; Q567-Q571 WeakPolarHBondContact O-CB 3.33Å; Q567-Q571 VanDerWaalsContact O-CG 3.22Å; Q567-Q571 WeakPolarHBondContact O-CG 3.49Å; Q567-Q571 PolarHBondContact O-N 3.03Å
568	A	77.7	Confident	76.2	Confident	56 Å²	56	43.5 Å²	43.5	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-57	-38.7	179	0	0	0	0	0	112.5	N564 K572	N564-A568 WeakPolarHBondContact O-CB 3.43Å; N564-A568 PolarHBondContact O-N 3.05Å; A568-K572 PolarHBondContact O-N 3.02Å
569	V	73.9	Confident	74.8	Confident	4 Å²	4	48 Å²	48	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-74.2	-47.1	176.1	174.7	0	0	0	0	111.9	Q477 L480 F531 V565 T566 Q567 Q571 K572 M573	Q477-V569 HydrophobicContact CG-CG2 4.24Å; L480-V569 HydrophobicContact CD1-CG1 3.65Å; F531-V569 HydrophobicContact CE1-CB 3.78Å; F531-V569 HydrophobicContact CE1-CG1 3.86Å; F531-V569 HydrophobicContact CE1-CG2 4.14Å; F531-V569 HydrophobicContact CE2-CG2 4.26Å; F531-V569 HydrophobicContact CZ-CB 3.67Å; F531-V569 HydrophobicContact CZ-CG1 4.05Å; F531-V569 HydrophobicContact CZ-CG2 3.5Å; F531-V569 VanDerWaalsContact CZ-CG2 3.5Å; V565-V569 PolarHBondContact O-N 3.36Å; T566-V569 PolarHBondContact O-N 2.91Å; Q567-V569 PolarHBondContact O-N 2.82Å; V569-Q571 VanDerWaalsContact C-N 3.34Å; V569-Q571 PolarHBondContact O-N 3.49Å; V569-K572 PolarHBondContact O-N 3.19Å; V569-M573 HydrophobicContact CG1-CG 4.13Å; V569-M573 WeakPolarHBondContact O-CB 3.27Å; V569-M573 VanDerWaalsContact O-CG 3.28Å; V569-M573 WeakPolarHBondContact O-CG 3.46Å; V569-M573 PolarHBondContact O-N 3.33Å
570	N	73.8	Confident	73.8	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-35.1	-178.7	-72.8	-37.3	0	0	0	113.1	H528 M532 T566 Q567 M573 G574 L575 T578	H528-N570 PolarHBondContact NE2-OD1 3.07Å; M532-N570 WeakPolarHBondContact CE-ND2 3.41Å; M532-N570 PolarHBondContact SD-ND2 2.8Å; T566-N570 WeakPolarHBondContact O-CB 3.17Å; T566-N570 VanDerWaalsContact O-CG 3.32Å; T566-N570 PolarHBondContact O-N 2.82Å; T566-N570 PolarHBondContact O-ND2 2.75Å; T566-N570 VanDerWaalsContact O-ND2 3.09Å; Q567-N570 PolarHBondContact O-N 3.05Å; N570-M573 PolarHBondContact O-N 2.91Å; N570-G574 PolarHBondContact O-N 2.96Å; N570-L575 PolarHBondContact O-N 2.99Å; N570-L575 VanDerWaalsContact O-N 3.09Å; N570-T578 PolarHBondContact ND2-OG1 2.83Å; N570-T578 VanDerWaalsContact ND2-OG1 3.08Å
571	Q	72.4	Confident	72.7	Confident	144 Å²	144	45.6 Å²	45.6	67%	0.673	24%	0.241	S	C	*	.	H	α-helix	trans	-58.9	-49.3	172.5	-74.4	172	11.5	0	0	110.9	Q567 V569 M573 G574	Q567-Q571 WeakPolarHBondContact O-CB 3.33Å; Q567-Q571 VanDerWaalsContact O-CG 3.22Å; Q567-Q571 WeakPolarHBondContact O-CG 3.49Å; Q567-Q571 PolarHBondContact O-N 3.03Å; V569-Q571 VanDerWaalsContact C-N 3.34Å; V569-Q571 PolarHBondContact O-N 3.49Å; Q571-M573 PolarHBondContact O-N 3.46Å; Q571-G574 PolarHBondContact O-N 2.89Å
572	K	65	Low	71.5	Confident	122 Å²	122	42.8 Å²	42.8	53%	0.53	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-37.3	178.3	-166.7	-173.9	177.8	-156.3	0	112.8	D481 A568 V569 G574	D481-K572 WeakPolarHBondContact OD1-CD 3.38Å; D481-K572 VanDerWaalsContact OD1-CE 3.24Å; D481-K572 WeakPolarHBondContact OD1-CE 3.46Å; D481-K572 IonicContact OD1-NZ 2.78Å; D481-K572 PolarHBondContact OD1-NZ 2.85Å; D481-K572 IonicContact OD2-NZ 2.65Å; D481-K572 PolarHBondContact OD2-NZ 3.01Å; A568-K572 PolarHBondContact O-N 3.02Å; V569-K572 PolarHBondContact O-N 3.19Å; K572-G574 VanDerWaalsContact C-N 3.32Å; K572-G574 PolarHBondContact O-N 2.93Å
573	M	63.5	Low	70.9	Confident	46 Å²	46	48.5 Å²	48.5	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-79.4	-7.5	178.8	-69.3	-55	-52	0	0	114.6	L480 V569 N570 Q571 L575	L480-M573 HydrophobicContact CB-CG 4.49Å; L480-M573 HydrophobicContact CB-SD 4.22Å; L480-M573 WeakPolarHBondContact O-CE 3.03Å; L480-M573 VanDerWaalsContact O-SD 3.34Å; V569-M573 HydrophobicContact CG1-CG 4.13Å; V569-M573 WeakPolarHBondContact O-CB 3.27Å; V569-M573 VanDerWaalsContact O-CG 3.28Å; V569-M573 WeakPolarHBondContact O-CG 3.46Å; V569-M573 PolarHBondContact O-N 3.33Å; N570-M573 PolarHBondContact O-N 2.91Å; Q571-M573 PolarHBondContact O-N 3.46Å; M573-L575 HydrophobicContact CB-CB 4.36Å; M573-L575 HydrophobicContact CB-CD1 3.63Å; M573-L575 HydrophobicContact CB-CG 3.77Å; M573-L575 HydrophobicContact CG-CD1 4.27Å; M573-L575 PolarHBondContact O-N 3.49Å
574	G	56.8	Low	70.5	Confident	36 Å²	36	47.1 Å²	47.1	37%	0.371	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	11.7	-174.6	0	0	0	0	0	114.9	R175 N570 Q571 K572	R175-G574 PolarHBondContact NE-O 3.35Å; R175-G574 PolarHBondContact NH2-O 3.42Å; R175-G574 VanDerWaalsContact NH2-O 3.17Å; N570-G574 PolarHBondContact O-N 2.96Å; Q571-G574 PolarHBondContact O-N 2.89Å; K572-G574 VanDerWaalsContact C-N 3.32Å; K572-G574 PolarHBondContact O-N 2.93Å
575	L	55.9	Low	69.7	Low	22 Å²	22	43.3 Å²	43.3	12%	0.115	23%	0.227	C	C	.	.			trans	-81.6	159.5	-173	-68.9	171	0	0	0	112.6	R175 L179 N570 M573	R175-L575 VanDerWaalsContact CZ-O 3.25Å; R175-L575 PolarHBondContact NH2-O 2.88Å; L179-L575 HydrophobicContact CD1-CD2 4.02Å; N570-L575 PolarHBondContact O-N 2.99Å; N570-L575 VanDerWaalsContact O-N 3.09Å; M573-L575 HydrophobicContact CB-CB 4.36Å; M573-L575 HydrophobicContact CB-CD1 3.63Å; M573-L575 HydrophobicContact CB-CG 3.77Å; M573-L575 HydrophobicContact CG-CD1 4.27Å; M573-L575 PolarHBondContact O-N 3.49Å
576	P	54.9	Low	69.2	Low	27 Å²	27	46.7 Å²	46.7	18%	0.175	24%	0.24	C	C	.	.			trans	-45.5	142.7	173.3	-29.8	36.8	0	0	0	112.4
577	T	56.5	Low	69.2	Low	58 Å²	58	49.3 Å²	49.3	36%	0.356	25%	0.25	S	C	.	.			trans	-66.7	148.3	-177.4	58	0	0	0	0	109.8	E579 E580	T577-E579 PolarHBondContact O-N 2.96Å; T577-E579 VanDerWaalsContact O-N 3.1Å; T577-E580 PolarHBondContact N-OE2 2.68Å; T577-E580 PolarHBondContact O-N 3.45Å; T577-E580 PolarHBondContact OG1-N 2.97Å
578	T	61.3	Low	69	Low	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-52.5	-36.1	175.7	-44	0	0	0	0	110.8	M532 K535 T566 N570 L581 T582	M532-T578 HydrophobicContact CE-CG2 3.81Å; M532-T578 HydrophobicContact SD-CG2 4.4Å; K535-T578 HydrophobicContact CD-CG2 3.9Å; T566-T578 WeakPolarHBondContact CB-OG1 3.37Å; T566-T578 PolarHBondContact OG1-OG1 3.42Å; N570-T578 PolarHBondContact ND2-OG1 2.83Å; N570-T578 VanDerWaalsContact ND2-OG1 3.08Å; T578-L581 PolarHBondContact O-N 2.97Å; T578-T582 VanDerWaalsContact O-CB 3.24Å; T578-T582 WeakPolarHBondContact O-CB 3.35Å; T578-T582 PolarHBondContact O-N 3.09Å; T578-T582 PolarHBondContact O-OG1 3.41Å
579	E	66.3	Low	68.8	Low	94 Å²	94	47.5 Å²	47.5	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-56.2	-46.2	174.4	-163.4	-165.2	165.9	0	0	114.8	T577 L581 T582 K583	T577-E579 PolarHBondContact O-N 2.96Å; T577-E579 VanDerWaalsContact O-N 3.1Å; E579-L581 PolarHBondContact O-N 3.06Å; E579-T582 PolarHBondContact O-N 3.07Å; E579-K583 HydrophobicContact CG-CD 4.14Å; E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.49Å; E579-K583 VanDerWaalsContact O-CG 3.28Å; E579-K583 WeakPolarHBondContact O-CG 3.45Å; E579-K583 PolarHBondContact O-N 3.45Å; E579-K583 VanDerWaalsContact OE1-CE 3.27Å; E579-K583 WeakPolarHBondContact OE1-CE 3.1Å; E579-K583 IonicContact OE1-NZ 3.84Å; E579-K583 PolarHBondContact OE1-NZ 3.22Å
580	E	71.3	Confident	68	Low	52 Å²	52	48 Å²	48	24%	0.243	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-44.2	179.7	-73.8	178.7	117.4	0	0	111.6	R175 T577 L584	R175-E580 IonicContact NH1-OE2 3.42Å; T577-E580 PolarHBondContact N-OE2 2.68Å; T577-E580 PolarHBondContact O-N 3.45Å; T577-E580 PolarHBondContact OG1-N 2.97Å; E580-L584 PolarHBondContact O-N 3.19Å; E580-L584 VanDerWaalsContact O-N 3.08Å
581	L	69.3	Low	67.6	Low	18 Å²	18	51.9 Å²	51.9	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-75.8	-35.3	179.9	-65.6	173	0	0	0	112	M532 T578 E579 L584 Y585 L595 L601	M532-L581 HydrophobicContact CE-CD1 4.26Å; T578-L581 PolarHBondContact O-N 2.97Å; E579-L581 PolarHBondContact O-N 3.06Å; L581-L584 PolarHBondContact O-N 3.16Å; L581-Y585 WeakPolarHBondContact O-CB 3.28Å; L581-Y585 PolarHBondContact O-N 3.44Å; L581-L595 HydrophobicContact CD1-CD2 4.1Å; L581-L601 HydrophobicContact CD2-CB 4.39Å; L581-L601 HydrophobicContact CD2-CD2 4.44Å
582	T	65	Low	67.4	Low	12 Å²	12	45.3 Å²	45.3	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-46.3	171.1	-68.8	0	0	0	0	111.1	L536 L539 T578 E579 L584 Y585 Y586	L536-T582 HydrophobicContact CD2-CG2 4.37Å; L536-T582 WeakPolarHBondContact CD2-OG1 3.37Å; L539-T582 HydrophobicContact CD1-CG2 3.51Å; T578-T582 VanDerWaalsContact O-CB 3.24Å; T578-T582 WeakPolarHBondContact O-CB 3.35Å; T578-T582 PolarHBondContact O-N 3.09Å; T578-T582 PolarHBondContact O-OG1 3.41Å; E579-T582 PolarHBondContact O-N 3.07Å; T582-L584 VanDerWaalsContact C-N 3.34Å; T582-L584 PolarHBondContact O-N 2.87Å; T582-Y585 PolarHBondContact O-N 2.97Å; T582-Y586 HydrophobicContact CG2-CD2 3.69Å; T582-Y586 HydrophobicContact CG2-CE2 3.76Å; T582-Y586 WeakPolarHBondContact O-CD2 3.41Å; T582-Y586 PolarHBondContact O-N 2.87Å
583	K	79.9	Confident	67.4	Low	121 Å²	121	40.9 Å²	40.9	53%	0.526	21%	0.205	S	C	.	.	H	α-helix	trans	-58.5	-44.7	175.3	-78.8	172.3	171.4	174.7	0	111.3	E579 R587	E579-K583 HydrophobicContact CG-CD 4.14Å; E579-K583 VanDerWaalsContact O-CB 3.28Å; E579-K583 WeakPolarHBondContact O-CB 3.49Å; E579-K583 VanDerWaalsContact O-CG 3.28Å; E579-K583 WeakPolarHBondContact O-CG 3.45Å; E579-K583 PolarHBondContact O-N 3.45Å; E579-K583 VanDerWaalsContact OE1-CE 3.27Å; E579-K583 WeakPolarHBondContact OE1-CE 3.1Å; E579-K583 IonicContact OE1-NZ 3.84Å; E579-K583 PolarHBondContact OE1-NZ 3.22Å; K583-R587 WeakPolarHBondContact O-CB 3.41Å; K583-R587 VanDerWaalsContact O-CG 3.3Å; K583-R587 WeakPolarHBondContact O-CG 3.4Å; K583-R587 PolarHBondContact O-N 3.42Å
584	L	79	Confident	67.6	Low	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-44.6	174.9	-85.9	173.5	0	0	0	113.2	E580 L581 T582 Y586 R587 F588 V594 L601 V621 F638	E580-L584 PolarHBondContact O-N 3.19Å; E580-L584 VanDerWaalsContact O-N 3.08Å; L581-L584 PolarHBondContact O-N 3.16Å; T582-L584 VanDerWaalsContact C-N 3.34Å; T582-L584 PolarHBondContact O-N 2.87Å; L584-Y586 VanDerWaalsContact C-N 3.33Å; L584-Y586 PolarHBondContact O-N 3.17Å; L584-R587 PolarHBondContact O-N 3.41Å; L584-F588 HydrophobicContact CD2-CE2 4.13Å; L584-F588 WeakPolarHBondContact O-CD2 3.22Å; L584-F588 PolarHBondContact O-N 2.85Å; L584-V594 HydrophobicContact CB-CG1 4.34Å; L584-L601 HydrophobicContact CD1-CD1 3.78Å; L584-L601 HydrophobicContact CD1-CD2 3.61Å; L584-L601 HydrophobicContact CD1-CG 4.32Å; L584-V621 HydrophobicContact CD1-CG1 3.95Å; L584-V621 HydrophobicContact CD2-CG1 3.97Å; L584-V621 HydrophobicContact CD2-CG2 3.82Å; L584-F638 HydrophobicContact CD2-CE2 3.97Å; L584-F638 HydrophobicContact CD2-CZ 4.23Å
585	Y	71.6	Confident	67.6	Low	13 Å²	13	37.9 Å²	37.9	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-45.1	178.3	179.2	-110.5	0	0	0	111.9	L536 L581 T582 F588 Q589 C590 V594	L536-Y585 HydrophobicContact CB-CD1 3.98Å; L536-Y585 HydrophobicContact CB-CE1 3.81Å; L536-Y585 HydrophobicContact CD1-CD1 4.13Å; L536-Y585 HydrophobicContact CD1-CD2 4.17Å; L536-Y585 HydrophobicContact CD1-CG 3.91Å; L536-Y585 HydrophobicContact CD2-CD1 3.87Å; L536-Y585 HydrophobicContact CD2-CG 4.21Å; L536-Y585 HydrophobicContact CG-CD1 4.2Å; L536-Y585 HydrophobicContact CG-CG 4.46Å; L581-Y585 WeakPolarHBondContact O-CB 3.28Å; L581-Y585 PolarHBondContact O-N 3.44Å; T582-Y585 PolarHBondContact O-N 2.97Å; Y585-F588 CarbonylContact O-C 3.43Å; Y585-F588 PolarHBondContact O-N 2.77Å; Y585-Q589 PolarHBondContact O-N 3.34Å; Y585-C590 HydrophobicContact CE1-CB 3.93Å; Y585-C590 WeakPolarHBondContact CE1-SG 3.48Å; Y585-C590 HydrophobicContact CE2-CB 4.18Å; Y585-C590 PolarHBondContact O-N 3.38Å; Y585-C590 VanDerWaalsContact O-N 3.12Å; Y585-V594 HydrophobicContact CD2-CG2 4.39Å
586	Y	74.6	Confident	67.8	Low	75 Å²	75	39.8 Å²	39.8	29%	0.294	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-47.7	172.3	-86.1	-56	0	0	0	112.1	L539 T582 L584 F588 Q589 Q637	L539-Y586 HydrophobicContact CB-CE2 4.46Å; L539-Y586 WeakPolarHBondContact CB-OH 3.42Å; L539-Y586 HydrophobicContact CD1-CE2 3.94Å; L539-Y586 HydrophobicContact CD2-CE2 4.24Å; L539-Y586 VanDerWaalsContact CD2-OH 3.32Å; L539-Y586 WeakPolarHBondContact CD2-OH 3.32Å; L539-Y586 HydrophobicContact CG-CE2 4.46Å; T582-Y586 HydrophobicContact CG2-CD2 3.69Å; T582-Y586 HydrophobicContact CG2-CE2 3.76Å; T582-Y586 WeakPolarHBondContact O-CD2 3.41Å; T582-Y586 PolarHBondContact O-N 2.87Å; L584-Y586 VanDerWaalsContact C-N 3.33Å; L584-Y586 PolarHBondContact O-N 3.17Å; Y586-F588 PolarHBondContact O-N 3.28Å; Y586-Q589 WeakPolarHBondContact O-CA 3.5Å; Y586-Q589 PolarHBondContact O-N 2.89Å; Y586-Q637 PolarHBondContact O-OE1 2.59Å
587	R	83.1	Confident	67.3	Low	55 Å²	55	40 Å²	40	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-28.9	176.6	-70.2	-174	88.8	169.4	9	112.8	K583 L584 Q589 G636 Q637 F638	K583-R587 WeakPolarHBondContact O-CB 3.41Å; K583-R587 VanDerWaalsContact O-CG 3.3Å; K583-R587 WeakPolarHBondContact O-CG 3.4Å; K583-R587 PolarHBondContact O-N 3.42Å; L584-R587 PolarHBondContact O-N 3.41Å; R587-Q589 PolarHBondContact O-N 3.13Å; R587-G636 PolarHBondContact NE-O 2.93Å; R587-G636 PolarHBondContact NH2-O 3.03Å; R587-Q637 VanDerWaalsContact CA-OE1 3.28Å; R587-F638 HydrophobicContact CB-CD1 4.42Å; R587-F638 HydrophobicContact CB-CD2 3.79Å; R587-F638 HydrophobicContact CB-CE1 4.21Å; R587-F638 HydrophobicContact CB-CE2 3.56Å; R587-F638 HydrophobicContact CB-CG 4.23Å; R587-F638 HydrophobicContact CB-CZ 3.79Å; R587-F638 VanDerWaalsContact O-CB 3.25Å; R587-F638 WeakPolarHBondContact O-CB 3.37Å; R587-F638 WeakPolarHBondContact O-CD2 3.31Å; R587-F638 WeakPolarHBondContact O-CG 3.36Å; R587-F638 PolarHBondContact O-N 3.04Å
588	F	77.8	Confident	67.1	Low	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	15.7	169.2	-77.9	-67	0	0	0	114.2	L584 Y585 Y586 C590 Q591 F592 V594 V621 F623 W628 F638 I640	L584-F588 HydrophobicContact CD2-CE2 4.13Å; L584-F588 WeakPolarHBondContact O-CD2 3.22Å; L584-F588 PolarHBondContact O-N 2.85Å; Y585-F588 CarbonylContact O-C 3.43Å; Y585-F588 PolarHBondContact O-N 2.77Å; Y586-F588 PolarHBondContact O-N 3.28Å; F588-C590 PolarHBondContact O-N 3Å; F588-Q591 WeakPolarHBondContact O-CB 3.42Å; F588-Q591 PolarHBondContact O-N 2.81Å; F588-F592 HydrophobicContact CB-CB 3.84Å; F588-F592 HydrophobicContact CD1-CB 3.84Å; F588-F592 HydrophobicContact CD1-CD1 4.3Å; F588-F592 HydrophobicContact CD1-CG 4.32Å; F588-F592 HydrophobicContact CD2-CB 4.38Å; F588-F592 AromaticContact CD2-CD1 3.84Å; F588-F592 HydrophobicContact CD2-CD1 3.84Å; F588-F592 HydrophobicContact CE1-CD1 4.33Å; F588-F592 AromaticContact CE2-CD1 3.88Å; F588-F592 HydrophobicContact CE2-CD1 3.88Å; F588-F592 HydrophobicContact CE2-CE1 4.38Å; F588-F592 HydrophobicContact CG-CB 3.79Å; F588-F592 HydrophobicContact CG-CD1 4.08Å; F588-F592 HydrophobicContact CG-CG 4.35Å; F588-F592 HydrophobicContact CZ-CD1 4.14Å; F588-V594 HydrophobicContact CD2-CG1 4.01Å; F588-V594 HydrophobicContact CE2-CG1 4.45Å; F588-V621 HydrophobicContact CE2-CG2 4.42Å; F588-V621 HydrophobicContact CZ-CB 4.46Å; F588-V621 HydrophobicContact CZ-CG2 4.22Å; F588-F623 HydrophobicContact CE2-CE2 4.41Å; F588-F623 HydrophobicContact CE2-CZ 4.45Å; F588-W628 AromaticContact CE1-CD2 3.7Å; F588-W628 HydrophobicContact CE1-CD2 3.7Å; F588-W628 AromaticContact CE1-CE2 3.7Å; F588-W628 HydrophobicContact CE1-CE3 4.12Å; F588-W628 AromaticContact CE1-CG 3.96Å; F588-W628 HydrophobicContact CE1-CG 3.96Å; F588-W628 HydrophobicContact CE1-CH2 4.48Å; F588-W628 HydrophobicContact CE1-CZ2 4.1Å; F588-W628 HydrophobicContact CE1-CZ3 4.49Å; F588-W628 AromaticContact CE1-NE1 3.95Å; F588-W628 HydrophobicContact CZ-CB 4.26Å; F588-W628 AromaticContact CZ-CD1 3.75Å; F588-W628 HydrophobicContact CZ-CD2 4.06Å; F588-W628 AromaticContact CZ-CG 3.81Å; F588-W628 HydrophobicContact CZ-CG 3.81Å; F588-W628 AromaticContact CZ-NE1 3.91Å; F588-F638 AromaticContact CD1-CD2 3.69Å; F588-F638 HydrophobicContact CD1-CD2 3.69Å; F588-F638 HydrophobicContact CD1-CE2 4.41Å; F588-F638 HydrophobicContact CD2-CD2 4.13Å; F588-F638 HydrophobicContact CD2-CE2 4.12Å; F588-F638 AromaticContact CE1-CD2 3.72Å; F588-F638 HydrophobicContact CE1-CD2 3.72Å; F588-F638 HydrophobicContact CE1-CE2 4.22Å; F588-F638 HydrophobicContact CE2-CD2 4.16Å; F588-F638 AromaticContact CE2-CE2 3.92Å; F588-F638 HydrophobicContact CE2-CE2 3.92Å; F588-F638 AromaticContact CG-CD2 3.89Å; F588-F638 HydrophobicContact CG-CD2 3.89Å; F588-F638 HydrophobicContact CG-CE2 4.35Å; F588-F638 AromaticContact CZ-CD2 3.95Å; F588-F638 HydrophobicContact CZ-CD2 3.95Å; F588-F638 AromaticContact CZ-CE2 3.96Å; F588-F638 HydrophobicContact CZ-CE2 3.96Å; F588-I640 HydrophobicContact CB-CD1 4.42Å; F588-I640 HydrophobicContact CD1-CD1 4.16Å; F588-I640 HydrophobicContact CD1-CG1 4.37Å; F588-I640 WeakPolarHBondContact O-CD1 3.44Å
589	Q	73.1	Confident	67.5	Low	90 Å²	90	38.6 Å²	38.6	42%	0.421	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	31.6	178.5	-52	-175.3	32.4	0	0	113.5	Y585 Y586 R587 Q591 Q637 F638	Y585-Q589 PolarHBondContact O-N 3.34Å; Y586-Q589 WeakPolarHBondContact O-CA 3.5Å; Y586-Q589 PolarHBondContact O-N 2.89Å; R587-Q589 PolarHBondContact O-N 3.13Å; Q589-Q591 HydrophobicContact CB-CG 4.35Å; Q589-Q591 PolarHBondContact O-N 2.85Å; Q589-Q637 HydrophobicContact CG-CB 4.2Å; Q589-F638 PolarHBondContact NE2-O 2.84Å
590	C	57.6	Low	67.6	Low	14 Å²	14	37 Å²	37	10%	0.095	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	2.5	-172.1	-55.2	0	0	0	0	115.4	Y585 F588	Y585-C590 HydrophobicContact CE1-CB 3.93Å; Y585-C590 WeakPolarHBondContact CE1-SG 3.48Å; Y585-C590 HydrophobicContact CE2-CB 4.18Å; Y585-C590 PolarHBondContact O-N 3.38Å; Y585-C590 VanDerWaalsContact O-N 3.12Å; F588-C590 PolarHBondContact O-N 3Å
591	Q	65.7	Low	68	Low	87 Å²	87	35.7 Å²	35.7	41%	0.407	18%	0.177	S	C	.	.			trans	-84.3	-15.5	-175.4	-63.6	174.1	18.2	0	0	114.3	F588 Q589 I640	F588-Q591 WeakPolarHBondContact O-CB 3.42Å; F588-Q591 PolarHBondContact O-N 2.81Å; Q589-Q591 HydrophobicContact CB-CG 4.35Å; Q589-Q591 PolarHBondContact O-N 2.85Å; Q591-I640 HydrophobicContact CB-CD1 3.73Å; Q591-I640 HydrophobicContact CG-CD1 4.38Å
592	F	68.3	Low	68.6	Low	5 Å²	5	35.7 Å²	35.7	2%	0.022	18%	0.177	C	C	.	.	S	Bend	trans	-118.2	123.8	177.5	178.5	-107	0	0	0	111.1	F588 V594 F623 W628	F588-F592 HydrophobicContact CB-CB 3.84Å; F588-F592 HydrophobicContact CD1-CB 3.84Å; F588-F592 HydrophobicContact CD1-CD1 4.3Å; F588-F592 HydrophobicContact CD1-CG 4.32Å; F588-F592 HydrophobicContact CD2-CB 4.38Å; F588-F592 AromaticContact CD2-CD1 3.84Å; F588-F592 HydrophobicContact CD2-CD1 3.84Å; F588-F592 HydrophobicContact CE1-CD1 4.33Å; F588-F592 AromaticContact CE2-CD1 3.88Å; F588-F592 HydrophobicContact CE2-CD1 3.88Å; F588-F592 HydrophobicContact CE2-CE1 4.38Å; F588-F592 HydrophobicContact CG-CB 3.79Å; F588-F592 HydrophobicContact CG-CD1 4.08Å; F588-F592 HydrophobicContact CG-CG 4.35Å; F588-F592 HydrophobicContact CZ-CD1 4.14Å; F592-V594 HydrophobicContact CD1-CG1 3.94Å; F592-V594 HydrophobicContact CE1-CG1 4.29Å; F592-V594 PolarHBondContact O-N 3.22Å; F592-F623 HydrophobicContact CE1-CD2 4.26Å; F592-F623 AromaticContact CE1-CE2 3.62Å; F592-F623 HydrophobicContact CE1-CE2 3.62Å; F592-F623 AromaticContact CE1-CZ 3.82Å; F592-F623 HydrophobicContact CE1-CZ 3.82Å; F592-F623 HydrophobicContact CZ-CD2 4.44Å; F592-F623 HydrophobicContact CZ-CE2 4.22Å; F592-W628 HydrophobicContact CB-CZ2 4.44Å; F592-W628 AromaticContact CD1-NE1 3.86Å; F592-W628 AromaticContact CD2-CZ2 3.7Å; F592-W628 HydrophobicContact CD2-CZ2 3.7Å; F592-W628 AromaticContact CD2-NE1 3.76Å; F592-W628 AromaticContact CE1-NE1 3.55Å; F592-W628 HydrophobicContact CE2-CZ2 4.1Å; F592-W628 AromaticContact CE2-NE1 3.43Å; F592-W628 HydrophobicContact CG-CZ2 4.05Å; F592-W628 AromaticContact CG-NE1 3.96Å; F592-W628 AromaticContact CZ-NE1 3.32Å; F592-W628 VanDerWaalsContact CZ-NE1 3.32Å
593	N	64.6	Low	69.7	Low	29 Å²	29	36.5 Å²	36.5	16%	0.155	18%	0.179	C	C	.	.			trans	-72.8	100.8	176.4	-175	18.4	0	0	0	111	L595 R599	N593-L595 VanDerWaalsContact ND2-C 3.34Å; N593-L595 PolarHBondContact ND2-O 2.7Å; N593-L595 PolarHBondContact O-N 2.67Å; N593-L595 VanDerWaalsContact OD1-C 3.27Å; N593-L595 WeakPolarHBondContact OD1-CA 3.31Å; N593-L595 PolarHBondContact OD1-N 3.03Å; N593-L595 PolarHBondContact OD1-O 2.84Å; N593-R599 PolarHBondContact O-NH1 3.44Å
594	V	66.9	Low	70.3	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.03	16%	0.164	C	C	.	.	S	Bend	trans	-71.8	-10.8	172.7	-57.6	0	0	0	0	113	L536 L584 Y585 F588 F592 F623	L536-V594 HydrophobicContact CD1-CG2 4.4Å; L584-V594 HydrophobicContact CB-CG1 4.34Å; Y585-V594 HydrophobicContact CD2-CG2 4.39Å; F588-V594 HydrophobicContact CD2-CG1 4.01Å; F588-V594 HydrophobicContact CE2-CG1 4.45Å; F592-V594 HydrophobicContact CD1-CG1 3.94Å; F592-V594 HydrophobicContact CE1-CG1 4.29Å; F592-V594 PolarHBondContact O-N 3.22Å; V594-F623 HydrophobicContact CG1-CZ 4.34Å
595	L	58.3	Low	70.9	Confident	14 Å²	14	34.1 Å²	34.1	7%	0.073	17%	0.172	C	C	.	.			trans	-116.8	66.1	180	-55.9	179.6	0	0	0	111.1	Q529 M532 R533 L536 L581 N593	Q529-L595 HydrophobicContact CB-CB 4.19Å; Q529-L595 HydrophobicContact CG-CB 4.3Å; Q529-L595 PolarHBondContact OE1-O 2.79Å; M532-L595 HydrophobicContact CB-CD1 3.73Å; M532-L595 HydrophobicContact CB-CD2 4.48Å; R533-L595 HydrophobicContact CB-CD1 4.19Å; L536-L595 HydrophobicContact CD1-CD1 3.64Å; L536-L595 HydrophobicContact CD1-CG 4.2Å; L581-L595 HydrophobicContact CD1-CD2 4.1Å; N593-L595 VanDerWaalsContact ND2-C 3.34Å; N593-L595 PolarHBondContact ND2-O 2.7Å; N593-L595 PolarHBondContact O-N 2.67Å; N593-L595 VanDerWaalsContact OD1-C 3.27Å; N593-L595 WeakPolarHBondContact OD1-CA 3.31Å; N593-L595 PolarHBondContact OD1-N 3.03Å; N593-L595 PolarHBondContact OD1-O 2.84Å
596	E	59.9	Low	72	Confident	62 Å²	62	39.7 Å²	39.7	29%	0.29	20%	0.198	S	C	.	.			trans	-105.9	141.3	176.7	-169.7	-177.7	124.5	0	0	110.8	Q529 G598 R599	Q529-E596 VanDerWaalsContact NE2-C 3.26Å; Q529-E596 PolarHBondContact NE2-O 2.92Å; Q529-E596 PolarHBondContact OE1-O 3.49Å; E596-G598 PolarHBondContact O-N 2.9Å; E596-R599 HydrophobicContact CB-CB 4.09Å; E596-R599 VanDerWaalsContact CB-NH1 3.33Å; E596-R599 WeakPolarHBondContact O-CA 3.45Å; E596-R599 WeakPolarHBondContact O-CB 3.19Å; E596-R599 PolarHBondContact O-N 2.9Å; E596-R599 IonicContact OE1-CZ 2.68Å; E596-R599 IonicContact OE1-NH2 2.67Å; E596-R599 PolarHBondContact OE1-NH2 3.24Å; E596-R599 VanDerWaalsContact OE1-NH2 3.09Å; E596-R599 IonicContact OE2-CZ 3.61Å; E596-R599 IonicContact OE2-NH1 3.29Å; E596-R599 PolarHBondContact OE2-NH1 3.41Å; E596-R599 IonicContact OE2-NH2 3.76Å; E596-R599 PolarHBondContact OE2-NH2 2.78Å
597	P	44	Very low	72.9	Confident	33 Å²	33	36.4 Å²	36.4	21%	0.214	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	121.7	-173.3	-33	38	0	0	0	114.6	Q529 R599	Q529-P597 VanDerWaalsContact OE1-CD 3.31Å; P597-R599 VanDerWaalsContact C-N 3.31Å; P597-R599 PolarHBondContact O-N 2.92Å
598	G	51.9	Low	73.4	Confident	22 Å²	22	37.4 Å²	37.4	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.7	-173.5	0	0	0	0	0	116.2	E596 T624	E596-G598 PolarHBondContact O-N 2.9Å; G598-T624 PolarHBondContact O-OG1 3.38Å
599	R	69.3	Low	74	Confident	8 Å²	8	38.2 Å²	38.2	3%	0.03	20%	0.197	C	C	.	.			trans	-83.5	123.9	167.5	-175	170.5	-67.2	127.9	18.4	110.1	N593 E596 P597 F623 T624 D625	N593-R599 PolarHBondContact O-NH1 3.44Å; E596-R599 HydrophobicContact CB-CB 4.09Å; E596-R599 VanDerWaalsContact CB-NH1 3.33Å; E596-R599 WeakPolarHBondContact O-CA 3.45Å; E596-R599 WeakPolarHBondContact O-CB 3.19Å; E596-R599 PolarHBondContact O-N 2.9Å; E596-R599 IonicContact OE1-CZ 2.68Å; E596-R599 IonicContact OE1-NH2 2.67Å; E596-R599 PolarHBondContact OE1-NH2 3.24Å; E596-R599 VanDerWaalsContact OE1-NH2 3.09Å; E596-R599 IonicContact OE2-CZ 3.61Å; E596-R599 IonicContact OE2-NH1 3.29Å; E596-R599 PolarHBondContact OE2-NH1 3.41Å; E596-R599 IonicContact OE2-NH2 3.76Å; E596-R599 PolarHBondContact OE2-NH2 2.78Å; P597-R599 VanDerWaalsContact C-N 3.31Å; P597-R599 PolarHBondContact O-N 2.92Å; R599-F623 HydrophobicContact CG-CB 3.89Å; R599-F623 HydrophobicContact CG-CD1 3.52Å; R599-F623 HydrophobicContact CG-CE1 4.29Å; R599-F623 HydrophobicContact CG-CG 3.89Å; R599-T624 WeakPolarHBondContact CA-OG1 3.49Å; R599-D625 IonicContact CZ-OD1 2.59Å; R599-D625 IonicContact CZ-OD2 3.68Å; R599-D625 IonicContact NE-OD1 2.96Å; R599-D625 PolarHBondContact NE-OD1 3.38Å; R599-D625 IonicContact NE-OD2 2.74Å; R599-D625 PolarHBondContact NE-OD2 2.9Å; R599-D625 IonicContact NH2-OD1 2.6Å; R599-D625 IonicContact NH2-OD2 2.91Å; R599-D625 PolarHBondContact NH2-OD2 3.12Å
600	V	68.7	Low	74.9	Confident	62 Å²	62	37.5 Å²	37.5	38%	0.376	19%	0.194	S	C	.	.			trans	-131.8	140.2	172.5	-174.2	0	0	0	0	108.9	F623 T624	V600-F623 CarbonylContact O-C 3.5Å; V600-F623 VanDerWaalsContact O-CA 3.22Å; V600-F623 WeakPolarHBondContact O-CA 3.35Å; V600-T624 HydrophobicContact CB-CG2 3.92Å; V600-T624 HydrophobicContact CG2-CG2 4.48Å; V600-T624 PolarHBondContact N-OG1 3.06Å; V600-T624 PolarHBondContact O-N 3.08Å
601	L	79.6	Confident	76.1	Confident	23 Å²	23	38.4 Å²	38.4	12%	0.12	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.9	172.9	179.9	69	0	0	0	110	L581 L584 V621 F623	L581-L601 HydrophobicContact CD2-CB 4.39Å; L581-L601 HydrophobicContact CD2-CD2 4.44Å; L584-L601 HydrophobicContact CD1-CD1 3.78Å; L584-L601 HydrophobicContact CD1-CD2 3.61Å; L584-L601 HydrophobicContact CD1-CG 4.32Å; L601-V621 HydrophobicContact CD1-CG1 3.47Å; L601-V621 VanDerWaalsContact CD1-CG1 3.47Å; L601-F623 HydrophobicContact CB-CD1 4.28Å; L601-F623 HydrophobicContact CB-CE1 4.14Å; L601-F623 HydrophobicContact CD1-CD1 4.37Å; L601-F623 HydrophobicContact CD1-CE1 4.02Å; L601-F623 HydrophobicContact CD1-CZ 4.25Å
602	I	81.8	Confident	76.7	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-45.7	179.9	-58.2	179.1	0	0	0	111	V172 A176 L622 T624 D690 A694	V172-I602 VanDerWaalsContact CG1-O 3.26Å; V172-I602 WeakPolarHBondContact CG1-O 3.38Å; A176-I602 HydrophobicContact CB-CG2 4.35Å; I602-L622 HydrophobicContact CB-CD2 4.12Å; I602-L622 HydrophobicContact CB-CG 4.03Å; I602-L622 HydrophobicContact CD1-CG 4.37Å; I602-L622 HydrophobicContact CG2-CD2 4Å; I602-L622 HydrophobicContact CG2-CG 4.47Å; I602-L622 PolarHBondContact N-O 3.28Å; I602-T624 HydrophobicContact CD1-CG2 3.94Å; I602-T624 HydrophobicContact CG1-CG2 4.19Å; I602-D690 HydrophobicContact CG2-CB 4.18Å; I602-A694 HydrophobicContact CD1-CB 3.64Å
603	R	88.5	Confident	77.3	Confident	29 Å²	29	55.8 Å²	55.8	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.2	-179.4	-176.1	168.4	-63.6	-60.3	-18.4	111.7	L622 W687 D690	R603-L622 HydrophobicContact CB-CB 4.4Å; R603-L622 PolarHBondContact N-O 3.41Å; R603-L622 PolarHBondContact O-N 3.09Å; R603-W687 HydrophobicContact CB-CH2 4.16Å; R603-W687 HydrophobicContact CB-CZ2 4.3Å; R603-W687 HydrophobicContact CB-CZ3 4.49Å; R603-W687 HydrophobicContact CG-CD2 4.35Å; R603-W687 HydrophobicContact CG-CH2 3.88Å; R603-W687 HydrophobicContact CG-CZ2 3.52Å; R603-W687 HydrophobicContact CG-CZ3 4.48Å; R603-D690 IonicContact CZ-OD2 3.93Å; R603-D690 IonicContact NE-OD2 3.97Å; R603-D690 PolarHBondContact NE-OD2 3.32Å; R603-D690 IonicContact NH2-OD2 3.33Å; R603-D690 PolarHBondContact NH2-OD2 2.85Å
604	Q	92.3	Very high	78.4	Confident	49 Å²	49	59.3 Å²	59.3	23%	0.229	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.7	161.8	57.4	-175.4	-13.6	0	0	110.4	Y619 L620	Q604-Y619 HydrophobicContact CB-CE1 3.81Å; Q604-Y619 HydrophobicContact CG-CE1 4.43Å; Q604-Y619 PolarHBondContact OE1-OH 3.28Å; Q604-L620 WeakPolarHBondContact CA-O 3.31Å; Q604-L620 WeakPolarHBondContact CB-O 3.41Å
605	S	92.3	Very high	79.6	Confident	22 Å²	22	63.2 Å²	63.2	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	164.8	166.8	68.7	0	0	0	0	111.8	L620 E683 W687	S605-L620 PolarHBondContact N-O 3.3Å; S605-L620 PolarHBondContact O-N 3.46Å; S605-E683 VanDerWaalsContact CB-OE1 3.31Å; S605-E683 WeakPolarHBondContact CB-OE1 3.49Å; S605-E683 PolarHBondContact OG-OE1 2.55Å; S605-W687 WeakPolarHBondContact OG-CZ2 3.47Å; S605-W687 PolarHBondContact OG-NE1 3.26Å
606	E	93.3	Very high	81.1	Confident	131 Å²	131	64.4 Å²	64.4	61%	0.612	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	136.4	172.3	-75.5	175.2	-174.9	0	0	110.3	Y619	E606-Y619 HydrophobicContact CG-CD2 3.28Å; E606-Y619 HydrophobicContact CG-CE2 3.53Å; E606-Y619 HydrophobicContact CG-CG 4.32Å; E606-Y619 WeakPolarHBondContact OE1-CD2 3.47Å; E606-Y619 WeakPolarHBondContact OE1-CE2 3.24Å
607	V	94.2	Very high	82.6	Confident	6 Å²	6	65.8 Å²	65.8	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.5	-173.2	-54.4	0	0	0	0	110.7	R618 L620 I676 F678	V607-R618 HydrophobicContact CG2-CB 4.07Å; V607-R618 PolarHBondContact N-O 3.12Å; V607-R618 PolarHBondContact O-N 2.82Å; V607-R618 VanDerWaalsContact O-O 3.04Å; V607-L620 HydrophobicContact CG1-CD1 3.91Å; V607-L620 HydrophobicContact CG1-CG 3.92Å; V607-L620 HydrophobicContact CG2-CD1 4.21Å; V607-L620 HydrophobicContact CG2-CD2 4.06Å; V607-L620 HydrophobicContact CG2-CG 3.71Å; V607-I676 HydrophobicContact CB-CG2 3.68Å; V607-I676 HydrophobicContact CG1-CG2 3.99Å; V607-I676 HydrophobicContact CG2-CD1 4.36Å; V607-I676 HydrophobicContact CG2-CG2 3.67Å; V607-F678 HydrophobicContact CG1-CD1 3.6Å; V607-F678 HydrophobicContact CG1-CE1 3.48Å; V607-F678 VanDerWaalsContact CG1-CE1 3.48Å
608	M	93.3	Very high	85	Confident	76 Å²	76	65.1 Å²	65.1	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.5	166.4	-62	-56.5	-73.8	0	0	109.6	L615 P617 I677	M608-L615 HydrophobicContact CE-CB 3.83Å; M608-P617 HydrophobicContact SD-CB 3.97Å; M608-I677 HydrophobicContact CB-CB 4.34Å; M608-I677 PolarHBondContact N-O 3.03Å; M608-I677 PolarHBondContact O-N 2.73Å
609	K	91.7	Very high	87	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	175.1	-177.1	-161.8	166.7	-61.4	0	109.2	T611 Q616 R618 A674 I676	K609-T611 PolarHBondContact O-N 2.74Å; K609-Q616 PolarHBondContact N-O 2.85Å; K609-Q616 PolarHBondContact O-N 3.01Å; K609-R618 HydrophobicContact CB-CB 4.41Å; K609-R618 HydrophobicContact CB-CG 3.78Å; K609-R618 HydrophobicContact CD-CG 4.16Å; K609-A674 HydrophobicContact CD-CB 4.23Å; K609-A674 HydrophobicContact CG-CB 4.25Å; K609-I676 HydrophobicContact CB-CD1 4.13Å; K609-I676 HydrophobicContact CG-CD1 3.99Å
610	Q	90.4	Very high	88.3	Confident	75 Å²	75	65 Å²	65	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134.6	170.3	-172.5	61.5	50.4	0	0	110.4	L615 L675	Q610-L615 HydrophobicContact CB-CD2 4.4Å; Q610-L675 HydrophobicContact CB-CB 4.11Å; Q610-L675 HydrophobicContact CB-CD2 4.26Å; Q610-L675 PolarHBondContact N-O 3.35Å
611	T	82.4	Confident	89.4	Confident	34 Å²	34	62 Å²	62	21%	0.209	29%	0.29	C	S	.	.			trans	-115.9	-178.3	168.3	75.8	0	0	0	0	110.3	K609 K613 E614 Q616	K609-T611 PolarHBondContact O-N 2.74Å; T611-K613 PolarHBondContact O-N 2.95Å; T611-K613 PolarHBondContact OG1-N 2.85Å; T611-E614 WeakPolarHBondContact CB-O 3.28Å; T611-E614 PolarHBondContact N-O 2.76Å; T611-E614 PolarHBondContact OG1-N 3.34Å; T611-E614 PolarHBondContact OG1-O 2.96Å; T611-Q616 HydrophobicContact CG2-CB 4.27Å; T611-Q616 HydrophobicContact CG2-CG 3.78Å
612	R	78.8	Confident	90	Very high	260 Å²	260	61 Å²	61	98%	0.981	28%	0.284	S	S	*	.	S	Bend	trans	-68.8	-12.6	173.9	-70.5	-175.9	177	172.4	-3.5	113.9
613	K	81.2	Confident	90.2	Very high	196 Å²	196	60 Å²	60	85%	0.852	28%	0.279	S	S	*	.	S	Bend	trans	-120.2	-43.7	-177.1	-65.5	-167	174	-166.1	0	112.9	T611	T611-K613 PolarHBondContact O-N 2.95Å; T611-K613 PolarHBondContact OG1-N 2.85Å
614	E	89	Confident	89.8	Confident	104 Å²	104	60.7 Å²	60.7	49%	0.486	29%	0.286	S	S	.	.	S	Bend	trans	-151.9	166.8	-166.2	70.8	-160.8	174.3	0	0	112.2	T611 Q616	T611-E614 WeakPolarHBondContact CB-O 3.28Å; T611-E614 PolarHBondContact N-O 2.76Å; T611-E614 PolarHBondContact OG1-N 3.34Å; T611-E614 PolarHBondContact OG1-O 2.96Å; E614-Q616 HydrophobicContact CG-CG 3.69Å; E614-Q616 WeakPolarHBondContact OE1-CG 3.44Å; E614-Q616 PolarHBondContact OE1-NE2 3.35Å
615	L	90	Very high	89	Confident	87 Å²	87	58.7 Å²	58.7	46%	0.455	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.4	162.5	-68.1	172.2	0	0	0	109.3	M608 Q610 I677	M608-L615 HydrophobicContact CE-CB 3.83Å; Q610-L615 HydrophobicContact CB-CD2 4.4Å; L615-I677 HydrophobicContact CD2-CD1 3.52Å; L615-I677 HydrophobicContact CD2-CG1 4.48Å
616	Q	90.3	Very high	88.9	Confident	39 Å²	39	59.9 Å²	59.9	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.1	173.9	-63.5	-173.5	-9.2	0	0	111.5	K609 T611 E614 R618	K609-Q616 PolarHBondContact N-O 2.85Å; K609-Q616 PolarHBondContact O-N 3.01Å; T611-Q616 HydrophobicContact CG2-CB 4.27Å; T611-Q616 HydrophobicContact CG2-CG 3.78Å; E614-Q616 HydrophobicContact CG-CG 3.69Å; E614-Q616 WeakPolarHBondContact OE1-CG 3.44Å; E614-Q616 PolarHBondContact OE1-NE2 3.35Å; Q616-R618 VanDerWaalsContact CB-NH1 3.27Å
617	P	92	Very high	88.9	Confident	90 Å²	90	53.7 Å²	53.7	58%	0.584	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.2	174.9	27.6	-34.5	0	0	0	111.5	M608	M608-P617 HydrophobicContact SD-CB 3.97Å
618	R	94.2	Very high	88.9	Confident	19 Å²	19	54.1 Å²	54.1	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.8	175	-71.4	-61.7	-177.3	-72.3	-0.6	110	V607 K609 Q616 I629 C630	V607-R618 HydrophobicContact CG2-CB 4.07Å; V607-R618 PolarHBondContact N-O 3.12Å; V607-R618 PolarHBondContact O-N 2.82Å; V607-R618 VanDerWaalsContact O-O 3.04Å; K609-R618 HydrophobicContact CB-CB 4.41Å; K609-R618 HydrophobicContact CB-CG 3.78Å; K609-R618 HydrophobicContact CD-CG 4.16Å; Q616-R618 VanDerWaalsContact CB-NH1 3.27Å; R618-I629 HydrophobicContact CB-CG2 4.16Å; R618-I629 HydrophobicContact CG-CG2 4.1Å; R618-C630 WeakPolarHBondContact CA-O 3.17Å; R618-C630 WeakPolarHBondContact CD-O 3.28Å
619	Y	94.1	Very high	89	Confident	27 Å²	27	50.5 Å²	50.5	11%	0.106	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.8	174	-158.9	-83.3	0	0	0	108.3	Q604 E606 V621 C630 F638	Q604-Y619 HydrophobicContact CB-CE1 3.81Å; Q604-Y619 HydrophobicContact CG-CE1 4.43Å; Q604-Y619 PolarHBondContact OE1-OH 3.28Å; E606-Y619 HydrophobicContact CG-CD2 3.28Å; E606-Y619 HydrophobicContact CG-CE2 3.53Å; E606-Y619 HydrophobicContact CG-CG 4.32Å; E606-Y619 WeakPolarHBondContact OE1-CD2 3.47Å; E606-Y619 WeakPolarHBondContact OE1-CE2 3.24Å; Y619-V621 HydrophobicContact CD1-CG2 3.74Å; Y619-V621 HydrophobicContact CE1-CG2 3.99Å; Y619-C630 PolarHBondContact N-O 2.86Å; Y619-C630 WeakPolarHBondContact O-CB 3.3Å; Y619-C630 PolarHBondContact O-N 3.12Å; Y619-F638 AromaticContact CD1-CE1 3.76Å; Y619-F638 HydrophobicContact CD1-CE1 3.76Å; Y619-F638 AromaticContact CD1-CZ 3.47Å; Y619-F638 HydrophobicContact CD1-CZ 3.47Å; Y619-F638 VanDerWaalsContact CD1-CZ 3.47Å; Y619-F638 HydrophobicContact CD2-CE1 4.36Å; Y619-F638 AromaticContact CE1-CZ 3.96Å; Y619-F638 HydrophobicContact CE1-CZ 3.96Å; Y619-F638 AromaticContact CG-CE1 3.68Å; Y619-F638 HydrophobicContact CG-CE1 3.68Å; Y619-F638 AromaticContact CG-CZ 3.91Å; Y619-F638 HydrophobicContact CG-CZ 3.91Å
620	L	95.7	Very high	89.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.1	174.8	-62.9	-168.6	0	0	0	110.6	Q604 S605 V607 L627 W628 I629 I676 F678 W687	Q604-L620 WeakPolarHBondContact CA-O 3.31Å; Q604-L620 WeakPolarHBondContact CB-O 3.41Å; S605-L620 PolarHBondContact N-O 3.3Å; S605-L620 PolarHBondContact O-N 3.46Å; V607-L620 HydrophobicContact CG1-CD1 3.91Å; V607-L620 HydrophobicContact CG1-CG 3.92Å; V607-L620 HydrophobicContact CG2-CD1 4.21Å; V607-L620 HydrophobicContact CG2-CD2 4.06Å; V607-L620 HydrophobicContact CG2-CG 3.71Å; L620-L627 HydrophobicContact CB-CD1 4.46Å; L620-W628 WeakPolarHBondContact CA-O 3.25Å; L620-I629 HydrophobicContact CD2-CB 4.07Å; L620-I629 HydrophobicContact CD2-CG1 3.82Å; L620-I629 HydrophobicContact CD2-CG2 3.92Å; L620-I676 HydrophobicContact CD1-CG2 4.27Å; L620-I676 HydrophobicContact CD2-CD1 4.49Å; L620-F678 HydrophobicContact CD1-CE1 4.05Å; L620-F678 HydrophobicContact CD1-CZ 4.15Å; L620-W687 HydrophobicContact CB-CH2 3.27Å; L620-W687 HydrophobicContact CB-CZ2 3.66Å; L620-W687 HydrophobicContact CB-CZ3 3.99Å; L620-W687 HydrophobicContact CD1-CD2 4.3Å; L620-W687 HydrophobicContact CD1-CE3 4.1Å; L620-W687 HydrophobicContact CD1-CH2 3.79Å; L620-W687 HydrophobicContact CD1-CZ2 3.94Å; L620-W687 HydrophobicContact CD1-CZ3 3.83Å; L620-W687 HydrophobicContact CG-CH2 4.18Å; L620-W687 HydrophobicContact CG-CZ2 4.38Å
621	V	92.3	Very high	89.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	110.8	170.4	-163.7	0	0	0	0	108.8	L584 F588 L601 Y619 F623 W628 F638	L584-V621 HydrophobicContact CD1-CG1 3.95Å; L584-V621 HydrophobicContact CD2-CG1 3.97Å; L584-V621 HydrophobicContact CD2-CG2 3.82Å; F588-V621 HydrophobicContact CE2-CG2 4.42Å; F588-V621 HydrophobicContact CZ-CB 4.46Å; F588-V621 HydrophobicContact CZ-CG2 4.22Å; L601-V621 HydrophobicContact CD1-CG1 3.47Å; L601-V621 VanDerWaalsContact CD1-CG1 3.47Å; Y619-V621 HydrophobicContact CD1-CG2 3.74Å; Y619-V621 HydrophobicContact CE1-CG2 3.99Å; V621-F623 HydrophobicContact CB-CE2 4.11Å; V621-F623 HydrophobicContact CG1-CD2 4.18Å; V621-F623 HydrophobicContact CG1-CE2 3.42Å; V621-F623 VanDerWaalsContact CG1-CE2 3.42Å; V621-F623 HydrophobicContact CG1-CZ 3.63Å; V621-W628 HydrophobicContact CB-CB 4.2Å; V621-W628 PolarHBondContact N-O 3.46Å; V621-W628 VanDerWaalsContact N-O 3.07Å; V621-W628 PolarHBondContact O-N 3.02Å; V621-F638 HydrophobicContact CG2-CE2 4.22Å; V621-F638 HydrophobicContact CG2-CZ 4.25Å
622	L	93.4	Very high	89.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	178.8	179.3	60.1	0	0	0	110.6	I602 R603 L627 L648 W687 D690 L691	I602-L622 HydrophobicContact CB-CD2 4.12Å; I602-L622 HydrophobicContact CB-CG 4.03Å; I602-L622 HydrophobicContact CD1-CG 4.37Å; I602-L622 HydrophobicContact CG2-CD2 4Å; I602-L622 HydrophobicContact CG2-CG 4.47Å; I602-L622 PolarHBondContact N-O 3.28Å; R603-L622 HydrophobicContact CB-CB 4.4Å; R603-L622 PolarHBondContact N-O 3.41Å; R603-L622 PolarHBondContact O-N 3.09Å; L622-L627 HydrophobicContact CB-CD1 4.09Å; L622-L627 HydrophobicContact CD1-CB 4.19Å; L622-L627 HydrophobicContact CD1-CD1 4.25Å; L622-L648 HydrophobicContact CD1-CD1 4.02Å; L622-L648 HydrophobicContact CD1-CD2 3.9Å; L622-L648 HydrophobicContact CD1-CG 4.48Å; L622-W687 HydrophobicContact CB-CH2 4.25Å; L622-W687 HydrophobicContact CB-CZ3 3.82Å; L622-W687 HydrophobicContact CD2-CZ3 4.36Å; L622-D690 HydrophobicContact CD2-CB 4.2Å; L622-L691 HydrophobicContact CD1-CD2 3.55Å; L622-L691 HydrophobicContact CD2-CD2 3.79Å; L622-L691 HydrophobicContact CD2-CG 4.19Å; L622-L691 HydrophobicContact CG-CD2 4.3Å
623	F	85	Confident	89.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	170.9	168.7	-62.8	-84	0	0	0	111	F588 F592 V594 R599 V600 L601 V621 D625 Y626 W628 L648	F588-F623 HydrophobicContact CE2-CE2 4.41Å; F588-F623 HydrophobicContact CE2-CZ 4.45Å; F592-F623 HydrophobicContact CE1-CD2 4.26Å; F592-F623 AromaticContact CE1-CE2 3.62Å; F592-F623 HydrophobicContact CE1-CE2 3.62Å; F592-F623 AromaticContact CE1-CZ 3.82Å; F592-F623 HydrophobicContact CE1-CZ 3.82Å; F592-F623 HydrophobicContact CZ-CD2 4.44Å; F592-F623 HydrophobicContact CZ-CE2 4.22Å; V594-F623 HydrophobicContact CG1-CZ 4.34Å; R599-F623 HydrophobicContact CG-CB 3.89Å; R599-F623 HydrophobicContact CG-CD1 3.52Å; R599-F623 HydrophobicContact CG-CE1 4.29Å; R599-F623 HydrophobicContact CG-CG 3.89Å; V600-F623 CarbonylContact O-C 3.5Å; V600-F623 VanDerWaalsContact O-CA 3.22Å; V600-F623 WeakPolarHBondContact O-CA 3.35Å; L601-F623 HydrophobicContact CB-CD1 4.28Å; L601-F623 HydrophobicContact CB-CE1 4.14Å; L601-F623 HydrophobicContact CD1-CD1 4.37Å; L601-F623 HydrophobicContact CD1-CE1 4.02Å; L601-F623 HydrophobicContact CD1-CZ 4.25Å; V621-F623 HydrophobicContact CB-CE2 4.11Å; V621-F623 HydrophobicContact CG1-CD2 4.18Å; V621-F623 HydrophobicContact CG1-CE2 3.42Å; V621-F623 VanDerWaalsContact CG1-CE2 3.42Å; V621-F623 HydrophobicContact CG1-CZ 3.63Å; F623-D625 WeakPolarHBondContact CB-OD1 3.15Å; F623-D625 PolarHBondContact O-N 3.12Å; F623-D625 VanDerWaalsContact O-N 3.08Å; F623-Y626 PolarHBondContact N-O 2.78Å; F623-W628 AromaticContact CE2-CD1 3.95Å; F623-L648 WeakPolarHBondContact O-CD1 3.43Å
624	T	79.3	Confident	89.8	Confident	42 Å²	42	37.5 Å²	37.5	26%	0.258	20%	0.203	S	C	.	.	S	Bend	trans	-61	-9.4	173.9	46	0	0	0	0	115.4	G598 R599 V600 I602	G598-T624 PolarHBondContact O-OG1 3.38Å; R599-T624 WeakPolarHBondContact CA-OG1 3.49Å; V600-T624 HydrophobicContact CB-CG2 3.92Å; V600-T624 HydrophobicContact CG2-CG2 4.48Å; V600-T624 PolarHBondContact N-OG1 3.06Å; V600-T624 PolarHBondContact O-N 3.08Å; I602-T624 HydrophobicContact CD1-CG2 3.94Å; I602-T624 HydrophobicContact CG1-CG2 4.19Å
625	D	76.3	Confident	89.3	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-131.8	-33.8	-176.4	64.1	-20	0	0	0	115	R599 F623 L648	R599-D625 IonicContact CZ-OD1 2.59Å; R599-D625 IonicContact CZ-OD2 3.68Å; R599-D625 IonicContact NE-OD1 2.96Å; R599-D625 PolarHBondContact NE-OD1 3.38Å; R599-D625 IonicContact NE-OD2 2.74Å; R599-D625 PolarHBondContact NE-OD2 2.9Å; R599-D625 IonicContact NH2-OD1 2.6Å; R599-D625 IonicContact NH2-OD2 2.91Å; R599-D625 PolarHBondContact NH2-OD2 3.12Å; F623-D625 WeakPolarHBondContact CB-OD1 3.15Å; F623-D625 PolarHBondContact O-N 3.12Å; F623-D625 VanDerWaalsContact O-N 3.08Å; D625-L648 PolarHBondContact O-N 3.46Å
626	Y	89.7	Confident	88.9	Confident	47 Å²	47	33.7 Å²	33.7	18%	0.184	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.7	178.9	-65.1	-78.3	0	0	0	112.9	F623 R645 I646 P647	F623-Y626 PolarHBondContact N-O 2.78Å; Y626-R645 HydrophobicContact CD1-CG 3.44Å; Y626-R645 VanDerWaalsContact CD1-CG 3.44Å; Y626-R645 HydrophobicContact CE1-CG 3.91Å; Y626-R645 HydrophobicContact CG-CG 3.81Å; Y626-I646 WeakPolarHBondContact CA-O 3.3Å; Y626-P647 HydrophobicContact CD1-CB 4.13Å; Y626-P647 HydrophobicContact CD1-CG 4.3Å; Y626-P647 HydrophobicContact CE1-CB 3.93Å; Y626-P647 HydrophobicContact CE1-CG 3.94Å
627	L	94.1	Very high	88.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.5	155.7	176.2	64.5	0	0	0	109	L620 L622 I646 L648 M651 I667 W687 L691	L620-L627 HydrophobicContact CB-CD1 4.46Å; L622-L627 HydrophobicContact CB-CD1 4.09Å; L622-L627 HydrophobicContact CD1-CB 4.19Å; L622-L627 HydrophobicContact CD1-CD1 4.25Å; L627-I646 PolarHBondContact N-O 3.09Å; L627-I646 PolarHBondContact O-N 2.81Å; L627-L648 HydrophobicContact CB-CD2 4.06Å; L627-M651 HydrophobicContact CB-SD 4.29Å; L627-M651 HydrophobicContact CD2-CE 3.89Å; L627-M651 HydrophobicContact CD2-SD 3.87Å; L627-I667 HydrophobicContact CD2-CD1 3.64Å; L627-W687 HydrophobicContact CD1-CZ3 3.89Å; L627-L691 HydrophobicContact CD2-CD2 4.37Å
628	W	94.1	Very high	88.4	Confident	16 Å²	16	30.5 Å²	30.5	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.4	166	-82.7	99.7	0	0	0	111	F588 F592 L620 V621 F623 I640 Y644 R645	F588-W628 AromaticContact CE1-CD2 3.7Å; F588-W628 HydrophobicContact CE1-CD2 3.7Å; F588-W628 AromaticContact CE1-CE2 3.7Å; F588-W628 HydrophobicContact CE1-CE3 4.12Å; F588-W628 AromaticContact CE1-CG 3.96Å; F588-W628 HydrophobicContact CE1-CG 3.96Å; F588-W628 HydrophobicContact CE1-CH2 4.48Å; F588-W628 HydrophobicContact CE1-CZ2 4.1Å; F588-W628 HydrophobicContact CE1-CZ3 4.49Å; F588-W628 AromaticContact CE1-NE1 3.95Å; F588-W628 HydrophobicContact CZ-CB 4.26Å; F588-W628 AromaticContact CZ-CD1 3.75Å; F588-W628 HydrophobicContact CZ-CD2 4.06Å; F588-W628 AromaticContact CZ-CG 3.81Å; F588-W628 HydrophobicContact CZ-CG 3.81Å; F588-W628 AromaticContact CZ-NE1 3.91Å; F592-W628 HydrophobicContact CB-CZ2 4.44Å; F592-W628 AromaticContact CD1-NE1 3.86Å; F592-W628 AromaticContact CD2-CZ2 3.7Å; F592-W628 HydrophobicContact CD2-CZ2 3.7Å; F592-W628 AromaticContact CD2-NE1 3.76Å; F592-W628 AromaticContact CE1-NE1 3.55Å; F592-W628 HydrophobicContact CE2-CZ2 4.1Å; F592-W628 AromaticContact CE2-NE1 3.43Å; F592-W628 HydrophobicContact CG-CZ2 4.05Å; F592-W628 AromaticContact CG-NE1 3.96Å; F592-W628 AromaticContact CZ-NE1 3.32Å; F592-W628 VanDerWaalsContact CZ-NE1 3.32Å; L620-W628 WeakPolarHBondContact CA-O 3.25Å; V621-W628 HydrophobicContact CB-CB 4.2Å; V621-W628 PolarHBondContact N-O 3.46Å; V621-W628 VanDerWaalsContact N-O 3.07Å; V621-W628 PolarHBondContact O-N 3.02Å; F623-W628 AromaticContact CE2-CD1 3.95Å; W628-I640 HydrophobicContact CH2-CG2 4.33Å; W628-Y644 CarbonylContact C-O 3.24Å; W628-Y644 WeakPolarHBondContact CA-O 3.34Å; W628-R645 HydrophobicContact CD2-CB 3.94Å; W628-R645 HydrophobicContact CD2-CG 4.3Å; W628-R645 HydrophobicContact CE3-CB 3.96Å; W628-R645 HydrophobicContact CH2-CB 3.87Å; W628-R645 HydrophobicContact CZ2-CB 3.84Å; W628-R645 HydrophobicContact CZ2-CG 4.03Å; W628-R645 HydrophobicContact CZ3-CB 3.92Å
629	I	94.6	Very high	88.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	90.8	166.5	-49.8	-180	0	0	0	107.3	R618 L620 S643 Y644 I646 I667 A674 I676	R618-I629 HydrophobicContact CB-CG2 4.16Å; R618-I629 HydrophobicContact CG-CG2 4.1Å; L620-I629 HydrophobicContact CD2-CB 4.07Å; L620-I629 HydrophobicContact CD2-CG1 3.82Å; L620-I629 HydrophobicContact CD2-CG2 3.92Å; I629-S643 WeakPolarHBondContact O-CA 3.33Å; I629-Y644 PolarHBondContact N-O 2.87Å; I629-Y644 PolarHBondContact O-N 3.43Å; I629-I646 HydrophobicContact CD1-CD1 3.64Å; I629-I646 HydrophobicContact CG1-CD1 4.22Å; I629-I667 HydrophobicContact CD1-CD1 4.31Å; I629-A674 HydrophobicContact CD1-CB 4.2Å; I629-I676 HydrophobicContact CG2-CD1 4.49Å
630	C	93.5	Very high	87.5	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.5	-172.2	-65.8	0	0	0	0	113	R618 Y619 F638 S643	R618-C630 WeakPolarHBondContact CA-O 3.17Å; R618-C630 WeakPolarHBondContact CD-O 3.28Å; Y619-C630 PolarHBondContact N-O 2.86Å; Y619-C630 WeakPolarHBondContact O-CB 3.3Å; Y619-C630 PolarHBondContact O-N 3.12Å; C630-F638 HydrophobicContact CB-CB 4.08Å; C630-F638 HydrophobicContact CB-CD1 3.55Å; C630-F638 HydrophobicContact CB-CD2 4.17Å; C630-F638 HydrophobicContact CB-CE1 3.96Å; C630-F638 HydrophobicContact CB-CG 3.67Å; C630-F638 HydrophobicContact CB-CZ 4.43Å; C630-S643 VanDerWaalsContact CA-OG 3.3Å; C630-S643 WeakPolarHBondContact CA-OG 3.31Å
631	R	92.3	Very high	86.9	Confident	88 Å²	88	38.4 Å²	38.4	33%	0.332	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	160.8	177.8	-179.8	176.7	106.3	5.6	108.1	F638 D639 R642 S643	R631-F638 CarbonylContact O-C 3.58Å; R631-F638 WeakPolarHBondContact O-CA 3.37Å; R631-D639 HydrophobicContact CB-CB 4.24Å; R631-D639 HydrophobicContact CG-CB 4.28Å; R631-D639 IonicContact NE-OD2 2.98Å; R631-D639 PolarHBondContact O-N 3.46Å; R631-R642 HydrophobicContact CB-CB 4.36Å; R631-S643 PolarHBondContact N-OG 2.89Å
632	V	89.3	Confident	86.6	Confident	44 Å²	44	45.7 Å²	45.7	27%	0.267	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.6	174.5	-162.5	0	0	0	0	109.6	G636 Q637 F638	V632-G636 WeakPolarHBondContact CG1-O 3.49Å; V632-Q637 CarbonylContact C-O 3.47Å; V632-Q637 VanDerWaalsContact CA-O 3.31Å; V632-Q637 WeakPolarHBondContact CA-O 3.42Å; V632-F638 HydrophobicContact CG2-CD1 4.32Å; V632-F638 HydrophobicContact CG2-CE1 4.36Å
633	S	85.4	Confident	86.4	Confident	38 Å²	38	46.2 Å²	46.2	27%	0.266	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-82.7	170.4	169.1	63.6	0	0	0	0	111.3	S635 G636 Q637	S633-S635 PolarHBondContact O-N 3.33Å; S633-S635 PolarHBondContact OG-N 3.47Å; S633-S635 PolarHBondContact OG-OG 3.47Å; S633-G636 PolarHBondContact O-N 3.07Å; S633-G636 VanDerWaalsContact O-N 3.08Å; S633-Q637 PolarHBondContact N-O 3.37Å; S633-Q637 WeakPolarHBondContact OG-CB 3.28Å; S633-Q637 PolarHBondContact OG-N 2.67Å; S633-Q637 VanDerWaalsContact OG-N 3.16Å; S633-Q637 PolarHBondContact OG-O 3.27Å
634	S	81	Confident	86.8	Confident	137 Å²	137	49.2 Å²	49.2	96%	0.958	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	168.3	44	0	0	0	0	112.9	G636	S634-G636 PolarHBondContact O-N 3.29Å
635	S	79.3	Confident	87.3	Confident	83 Å²	83	52.4 Å²	52.4	58%	0.58	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	10.9	174.4	54.5	0	0	0	0	114.6	S633 Q637	S633-S635 PolarHBondContact O-N 3.33Å; S633-S635 PolarHBondContact OG-N 3.47Å; S633-S635 PolarHBondContact OG-OG 3.47Å; S635-Q637 PolarHBondContact O-N 3.28Å
636	G	80.9	Confident	88	Confident	28 Å²	28	52 Å²	52	29%	0.289	27%	0.27	S	S	.	.	S	Bend	trans	74	-9.8	179.7	0	0	0	0	0	115.5	R587 V632 S633 S634	R587-G636 PolarHBondContact NE-O 2.93Å; R587-G636 PolarHBondContact NH2-O 3.03Å; V632-G636 WeakPolarHBondContact CG1-O 3.49Å; S633-G636 PolarHBondContact O-N 3.07Å; S633-G636 VanDerWaalsContact O-N 3.08Å; S634-G636 PolarHBondContact O-N 3.29Å
637	Q	84.6	Confident	87.8	Confident	62 Å²	62	51.4 Å²	51.4	29%	0.29	27%	0.272	S	S	.	.			trans	-71.1	160.8	177.8	-52.9	-59.5	-14.6	0	0	111.8	Y586 R587 Q589 V632 S633 S635	Y586-Q637 PolarHBondContact O-OE1 2.59Å; R587-Q637 VanDerWaalsContact CA-OE1 3.28Å; Q589-Q637 HydrophobicContact CG-CB 4.2Å; V632-Q637 CarbonylContact C-O 3.47Å; V632-Q637 VanDerWaalsContact CA-O 3.31Å; V632-Q637 WeakPolarHBondContact CA-O 3.42Å; S633-Q637 PolarHBondContact N-O 3.37Å; S633-Q637 WeakPolarHBondContact OG-CB 3.28Å; S633-Q637 PolarHBondContact OG-N 2.67Å; S633-Q637 VanDerWaalsContact OG-N 3.16Å; S633-Q637 PolarHBondContact OG-O 3.27Å; S635-Q637 PolarHBondContact O-N 3.28Å
638	F	87.3	Confident	87.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123.1	172	-57.1	-36.1	0	0	0	110.6	L584 R587 F588 Q589 Y619 V621 C630 R631 V632 I640	L584-F638 HydrophobicContact CD2-CE2 3.97Å; L584-F638 HydrophobicContact CD2-CZ 4.23Å; R587-F638 HydrophobicContact CB-CD1 4.42Å; R587-F638 HydrophobicContact CB-CD2 3.79Å; R587-F638 HydrophobicContact CB-CE1 4.21Å; R587-F638 HydrophobicContact CB-CE2 3.56Å; R587-F638 HydrophobicContact CB-CG 4.23Å; R587-F638 HydrophobicContact CB-CZ 3.79Å; R587-F638 VanDerWaalsContact O-CB 3.25Å; R587-F638 WeakPolarHBondContact O-CB 3.37Å; R587-F638 WeakPolarHBondContact O-CD2 3.31Å; R587-F638 WeakPolarHBondContact O-CG 3.36Å; R587-F638 PolarHBondContact O-N 3.04Å; F588-F638 AromaticContact CD1-CD2 3.69Å; F588-F638 HydrophobicContact CD1-CD2 3.69Å; F588-F638 HydrophobicContact CD1-CE2 4.41Å; F588-F638 HydrophobicContact CD2-CD2 4.13Å; F588-F638 HydrophobicContact CD2-CE2 4.12Å; F588-F638 AromaticContact CE1-CD2 3.72Å; F588-F638 HydrophobicContact CE1-CD2 3.72Å; F588-F638 HydrophobicContact CE1-CE2 4.22Å; F588-F638 HydrophobicContact CE2-CD2 4.16Å; F588-F638 AromaticContact CE2-CE2 3.92Å; F588-F638 HydrophobicContact CE2-CE2 3.92Å; F588-F638 AromaticContact CG-CD2 3.89Å; F588-F638 HydrophobicContact CG-CD2 3.89Å; F588-F638 HydrophobicContact CG-CE2 4.35Å; F588-F638 AromaticContact CZ-CD2 3.95Å; F588-F638 HydrophobicContact CZ-CD2 3.95Å; F588-F638 AromaticContact CZ-CE2 3.96Å; F588-F638 HydrophobicContact CZ-CE2 3.96Å; Q589-F638 PolarHBondContact NE2-O 2.84Å; Y619-F638 AromaticContact CD1-CE1 3.76Å; Y619-F638 HydrophobicContact CD1-CE1 3.76Å; Y619-F638 AromaticContact CD1-CZ 3.47Å; Y619-F638 HydrophobicContact CD1-CZ 3.47Å; Y619-F638 VanDerWaalsContact CD1-CZ 3.47Å; Y619-F638 HydrophobicContact CD2-CE1 4.36Å; Y619-F638 AromaticContact CE1-CZ 3.96Å; Y619-F638 HydrophobicContact CE1-CZ 3.96Å; Y619-F638 AromaticContact CG-CE1 3.68Å; Y619-F638 HydrophobicContact CG-CE1 3.68Å; Y619-F638 AromaticContact CG-CZ 3.91Å; Y619-F638 HydrophobicContact CG-CZ 3.91Å; V621-F638 HydrophobicContact CG2-CE2 4.22Å; V621-F638 HydrophobicContact CG2-CZ 4.25Å; C630-F638 HydrophobicContact CB-CB 4.08Å; C630-F638 HydrophobicContact CB-CD1 3.55Å; C630-F638 HydrophobicContact CB-CD2 4.17Å; C630-F638 HydrophobicContact CB-CE1 3.96Å; C630-F638 HydrophobicContact CB-CG 3.67Å; C630-F638 HydrophobicContact CB-CZ 4.43Å; R631-F638 CarbonylContact O-C 3.58Å; R631-F638 WeakPolarHBondContact O-CA 3.37Å; V632-F638 HydrophobicContact CG2-CD1 4.32Å; V632-F638 HydrophobicContact CG2-CE1 4.36Å; F638-I640 VanDerWaalsContact C-N 3.32Å; F638-I640 PolarHBondContact O-N 3.23Å
639	D	87.2	Confident	86.9	Confident	28 Å²	28	53.2 Å²	53.2	15%	0.15	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	86	169.6	175.7	-9.5	0	0	0	107.8	R631 N641 R642 S643	R631-D639 HydrophobicContact CB-CB 4.24Å; R631-D639 HydrophobicContact CG-CB 4.28Å; R631-D639 IonicContact NE-OD2 2.98Å; R631-D639 PolarHBondContact O-N 3.46Å; D639-N641 VanDerWaalsContact C-N 3.27Å; D639-N641 PolarHBondContact O-N 3.05Å; D639-R642 HydrophobicContact CB-CB 4.46Å; D639-R642 CarbonylContact O-C 3.59Å; D639-R642 PolarHBondContact O-N 2.66Å; D639-R642 WeakPolarHBondContact OD1-CG 3.38Å; D639-R642 PolarHBondContact OD1-N 3.27Å; D639-R642 VanDerWaalsContact OD1-N 3.12Å; D639-R642 WeakPolarHBondContact OD2-CB 3.19Å; D639-R642 WeakPolarHBondContact OD2-CD 3.24Å; D639-R642 VanDerWaalsContact OD2-CG 3.3Å; D639-R642 WeakPolarHBondContact OD2-CG 3.4Å; D639-R642 IonicContact OD2-CZ 3.47Å; D639-R642 IonicContact OD2-NE 3.68Å; D639-R642 IonicContact OD2-NH1 3.39Å; D639-R642 PolarHBondContact OD2-NH1 3.41Å; D639-S643 WeakPolarHBondContact O-CB 3.16Å; D639-S643 PolarHBondContact O-N 2.88Å; D639-S643 PolarHBondContact O-OG 3.23Å
640	I	81.8	Confident	86.3	Confident	30 Å²	30	59.7 Å²	59.7	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-38.6	-172.3	-76.3	171.9	0	0	0	111.6	F588 Q591 W628 F638 R642 S643	F588-I640 HydrophobicContact CB-CD1 4.42Å; F588-I640 HydrophobicContact CD1-CD1 4.16Å; F588-I640 HydrophobicContact CD1-CG1 4.37Å; F588-I640 WeakPolarHBondContact O-CD1 3.44Å; Q591-I640 HydrophobicContact CB-CD1 3.73Å; Q591-I640 HydrophobicContact CG-CD1 4.38Å; W628-I640 HydrophobicContact CH2-CG2 4.33Å; F638-I640 VanDerWaalsContact C-N 3.32Å; F638-I640 PolarHBondContact O-N 3.23Å; I640-R642 PolarHBondContact O-N 3.28Å; I640-S643 PolarHBondContact O-N 2.99Å
641	N	82.7	Confident	86.2	Confident	156 Å²	156	59.9 Å²	59.9	83%	0.834	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	-22.6	176.5	-69.9	-29.7	0	0	0	113.3	D639	D639-N641 VanDerWaalsContact C-N 3.27Å; D639-N641 PolarHBondContact O-N 3.05Å
642	R	86.5	Confident	86.2	Confident	152 Å²	152	63.2 Å²	63.2	57%	0.574	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	16.2	173.3	-54.9	-167.9	-172.5	122.8	-10.4	113.9	R631 D639 I640	R631-R642 HydrophobicContact CB-CB 4.36Å; D639-R642 HydrophobicContact CB-CB 4.46Å; D639-R642 CarbonylContact O-C 3.59Å; D639-R642 PolarHBondContact O-N 2.66Å; D639-R642 WeakPolarHBondContact OD1-CG 3.38Å; D639-R642 PolarHBondContact OD1-N 3.27Å; D639-R642 VanDerWaalsContact OD1-N 3.12Å; D639-R642 WeakPolarHBondContact OD2-CB 3.19Å; D639-R642 WeakPolarHBondContact OD2-CD 3.24Å; D639-R642 VanDerWaalsContact OD2-CG 3.3Å; D639-R642 WeakPolarHBondContact OD2-CG 3.4Å; D639-R642 IonicContact OD2-CZ 3.47Å; D639-R642 IonicContact OD2-NE 3.68Å; D639-R642 IonicContact OD2-NH1 3.39Å; D639-R642 PolarHBondContact OD2-NH1 3.41Å; I640-R642 PolarHBondContact O-N 3.28Å
643	S	90.1	Very high	86.3	Confident	12 Å²	12	63 Å²	63	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.5	178.2	-62.9	0	0	0	0	111.2	I629 C630 R631 D639 I640	I629-S643 WeakPolarHBondContact O-CA 3.33Å; C630-S643 VanDerWaalsContact CA-OG 3.3Å; C630-S643 WeakPolarHBondContact CA-OG 3.31Å; R631-S643 PolarHBondContact N-OG 2.89Å; D639-S643 WeakPolarHBondContact O-CB 3.16Å; D639-S643 PolarHBondContact O-N 2.88Å; D639-S643 PolarHBondContact O-OG 3.23Å; I640-S643 PolarHBondContact O-N 2.99Å
644	Y	91.7	Very high	86.6	Confident	63 Å²	63	65.2 Å²	65.2	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.9	-174.2	-56.9	-66.9	0	0	0	111.9	W628 I629 K672	W628-Y644 CarbonylContact C-O 3.24Å; W628-Y644 WeakPolarHBondContact CA-O 3.34Å; I629-Y644 PolarHBondContact N-O 2.87Å; I629-Y644 PolarHBondContact O-N 3.43Å; Y644-K672 HydrophobicContact CD1-CB 3.95Å; Y644-K672 HydrophobicContact CD1-CD 4.1Å; Y644-K672 HydrophobicContact CD1-CG 4.09Å; Y644-K672 HydrophobicContact CD2-CB 4.16Å; Y644-K672 HydrophobicContact CD2-CD 4.2Å; Y644-K672 HydrophobicContact CD2-CG 3.71Å; Y644-K672 HydrophobicContact CE1-CB 4.46Å; Y644-K672 HydrophobicContact CE1-CD 3.75Å; Y644-K672 HydrophobicContact CE1-CG 4.21Å; Y644-K672 HydrophobicContact CE2-CD 3.82Å; Y644-K672 HydrophobicContact CE2-CG 3.8Å; Y644-K672 HydrophobicContact CG-CB 3.78Å; Y644-K672 HydrophobicContact CG-CD 4.33Å; Y644-K672 HydrophobicContact CG-CG 3.85Å; Y644-K672 WeakPolarHBondContact OH-CE 3.44Å; Y644-K672 PolarHBondContact OH-NZ 3.31Å
645	R	89.9	Confident	87.1	Confident	108 Å²	108	64.4 Å²	64.4	41%	0.408	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	105.6	169.9	-175.5	179.7	68	174	-0.9	110	Y626 W628	Y626-R645 HydrophobicContact CD1-CG 3.44Å; Y626-R645 VanDerWaalsContact CD1-CG 3.44Å; Y626-R645 HydrophobicContact CE1-CG 3.91Å; Y626-R645 HydrophobicContact CG-CG 3.81Å; W628-R645 HydrophobicContact CD2-CB 3.94Å; W628-R645 HydrophobicContact CD2-CG 4.3Å; W628-R645 HydrophobicContact CE3-CB 3.96Å; W628-R645 HydrophobicContact CH2-CB 3.87Å; W628-R645 HydrophobicContact CZ2-CB 3.84Å; W628-R645 HydrophobicContact CZ2-CG 4.03Å; W628-R645 HydrophobicContact CZ3-CB 3.92Å
646	I	91.3	Very high	87.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.1	-176.6	-57.4	-179.5	0	0	0	109.8	Y626 L627 I629 L648 M651 I667 S669 V671 K672	Y626-I646 WeakPolarHBondContact CA-O 3.3Å; L627-I646 PolarHBondContact N-O 3.09Å; L627-I646 PolarHBondContact O-N 2.81Å; I629-I646 HydrophobicContact CD1-CD1 3.64Å; I629-I646 HydrophobicContact CG1-CD1 4.22Å; I646-L648 PolarHBondContact O-N 3.35Å; I646-M651 HydrophobicContact CB-SD 4.43Å; I646-M651 HydrophobicContact CG2-CB 3.9Å; I646-M651 HydrophobicContact CG2-CG 3.92Å; I646-M651 HydrophobicContact CG2-SD 3.71Å; I646-I667 HydrophobicContact CD1-CG2 4.18Å; I646-S669 WeakPolarHBondContact CG2-OG 3.48Å; I646-V671 HydrophobicContact CG1-CB 4.47Å; I646-K672 HydrophobicContact CD1-CB 4.39Å
647	P	86.4	Confident	87.5	Confident	34 Å²	34	67.8 Å²	67.8	22%	0.221	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.8	173.7	-7.3	19.6	0	0	0	110.6	Y626 E649 Y650	Y626-P647 HydrophobicContact CD1-CB 4.13Å; Y626-P647 HydrophobicContact CD1-CG 4.3Å; Y626-P647 HydrophobicContact CE1-CB 3.93Å; Y626-P647 HydrophobicContact CE1-CG 3.94Å; P647-E649 PolarHBondContact O-N 2.84Å; P647-E649 VanDerWaalsContact O-N 3.14Å; P647-Y650 HydrophobicContact CB-CD2 4.35Å; P647-Y650 PolarHBondContact O-N 3.24Å
648	L	89.1	Confident	87.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-62.6	-22.8	-178.2	-66.9	-177.8	0	0	0	113.6	L622 F623 D625 L627 I646 Y650 M651 L691 A694 Q695	L622-L648 HydrophobicContact CD1-CD1 4.02Å; L622-L648 HydrophobicContact CD1-CD2 3.9Å; L622-L648 HydrophobicContact CD1-CG 4.48Å; F623-L648 WeakPolarHBondContact O-CD1 3.43Å; D625-L648 PolarHBondContact O-N 3.46Å; L627-L648 HydrophobicContact CB-CD2 4.06Å; I646-L648 PolarHBondContact O-N 3.35Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.25Å; L648-M651 HydrophobicContact CD2-CE 4.48Å; L648-M651 HydrophobicContact CD2-SD 4.35Å; L648-L691 HydrophobicContact CD2-CD2 4.06Å; L648-A694 HydrophobicContact CD1-CB 3.71Å; L648-Q695 HydrophobicContact CB-CG 4.28Å; L648-Q695 PolarHBondContact O-NE2 2.83Å
649	E	78.9	Confident	86.6	Confident	55 Å²	55	76 Å²	76	26%	0.257	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61.5	-34.3	179.4	-174.9	166.2	-151.9	0	0	113.5	P647 K702	P647-E649 PolarHBondContact O-N 2.84Å; P647-E649 VanDerWaalsContact O-N 3.14Å; E649-K702 WeakPolarHBondContact OE1-CG 3.36Å; E649-K702 IonicContact OE1-NZ 2.66Å; E649-K702 PolarHBondContact OE1-NZ 2.88Å; E649-K702 IonicContact OE2-NZ 3.73Å; E649-K702 PolarHBondContact OE2-NZ 2.88Å
650	Y	83.7	Confident	86.2	Confident	136 Å²	136	83.4 Å²	83.4	53%	0.533	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-118.1	12.8	-174.7	-50.4	-70.7	0	0	0	113.5	P647 L648	P647-Y650 HydrophobicContact CB-CD2 4.35Å; P647-Y650 PolarHBondContact O-N 3.24Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.25Å
651	M	89.9	Confident	86.2	Confident	3 Å²	3	86.8 Å²	86.8	2%	0.015	39%	0.389	C	S	.	.			trans	-89.5	137.3	176.7	-171.2	173.4	113.6	0	0	109.9	L627 I646 L648 F653 I667 L691 Q695	L627-M651 HydrophobicContact CB-SD 4.29Å; L627-M651 HydrophobicContact CD2-CE 3.89Å; L627-M651 HydrophobicContact CD2-SD 3.87Å; I646-M651 HydrophobicContact CB-SD 4.43Å; I646-M651 HydrophobicContact CG2-CB 3.9Å; I646-M651 HydrophobicContact CG2-CG 3.92Å; I646-M651 HydrophobicContact CG2-SD 3.71Å; L648-M651 HydrophobicContact CD2-CE 4.48Å; L648-M651 HydrophobicContact CD2-SD 4.35Å; M651-F653 HydrophobicContact CE-CB 4.27Å; M651-F653 HydrophobicContact CE-CD1 3.73Å; M651-F653 HydrophobicContact CE-CG 4.39Å; M651-I667 HydrophobicContact CE-CG1 4.46Å; M651-I667 HydrophobicContact CE-CG2 4.13Å; M651-I667 HydrophobicContact CG-CG2 3.79Å; M651-I667 HydrophobicContact SD-CG2 3.7Å; M651-L691 HydrophobicContact CE-CD1 3.85Å; M651-L691 HydrophobicContact CE-CD2 3.71Å; M651-L691 HydrophobicContact CE-CG 4.33Å; M651-Q695 PolarHBondContact O-NE2 3.46Å; M651-Q695 PolarHBondContact O-OE1 2.78Å
652	K	92.2	Very high	86.5	Confident	158 Å²	158	82.1 Å²	82.1	69%	0.687	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	152.1	158.4	-66.9	-172.4	177.2	-170.9	0	108.3	R668	K652-R668 HydrophobicContact CB-CB 4.3Å; K652-R668 PolarHBondContact N-O 3.43Å; K652-R668 PolarHBondContact O-N 3.04Å; K652-R668 VanDerWaalsContact O-O 3.13Å
653	F	92.8	Very high	86.7	Confident	40 Å²	40	81.5 Å²	81.5	18%	0.175	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	169.5	56.4	-92.4	0	0	0	109.2	M651 L665 Q666 I667 T688 L691 T692 Q695	M651-F653 HydrophobicContact CE-CB 4.27Å; M651-F653 HydrophobicContact CE-CD1 3.73Å; M651-F653 HydrophobicContact CE-CG 4.39Å; F653-L665 HydrophobicContact CB-CD1 4.39Å; F653-L665 HydrophobicContact CB-CD2 4.28Å; F653-L665 HydrophobicContact CB-CG 4.28Å; F653-L665 HydrophobicContact CD2-CD1 4.17Å; F653-Q666 CarbonylContact C-O 3.57Å; F653-Q666 VanDerWaalsContact CA-O 3.26Å; F653-Q666 WeakPolarHBondContact CA-O 3.24Å; F653-I667 HydrophobicContact CB-CG1 4.46Å; F653-T688 HydrophobicContact CD2-CG2 4.2Å; F653-T688 HydrophobicContact CE2-CG2 3.78Å; F653-L691 HydrophobicContact CD1-CB 4.06Å; F653-L691 HydrophobicContact CD1-CD1 4.36Å; F653-L691 HydrophobicContact CE1-CB 3.64Å; F653-L691 HydrophobicContact CE2-CB 4.37Å; F653-L691 HydrophobicContact CG-CD1 4.41Å; F653-L691 HydrophobicContact CZ-CB 3.83Å; F653-T692 WeakPolarHBondContact CZ-OG1 3.44Å; F653-Q695 HydrophobicContact CE1-CG 4.23Å
654	E	91.6	Very high	86.8	Confident	84 Å²	84	81.1 Å²	81.1	39%	0.393	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.7	-171.4	-155.1	157.9	110.1	0	0	108.7	L665 Q666 R668	E654-L665 WeakPolarHBondContact O-CD1 3.37Å; E654-Q666 HydrophobicContact CB-CB 4.44Å; E654-Q666 PolarHBondContact N-O 3.1Å; E654-Q666 PolarHBondContact O-N 3.11Å; E654-R668 VanDerWaalsContact CD-CZ 3.5Å; E654-R668 VanDerWaalsContact CD-NH2 3.3Å; E654-R668 IonicContact OE1-CZ 3.06Å; E654-R668 VanDerWaalsContact OE1-CZ 3.29Å; E654-R668 IonicContact OE1-NH1 3.96Å; E654-R668 PolarHBondContact OE1-NH1 3.08Å; E654-R668 IonicContact OE1-NH2 3.92Å; E654-R668 PolarHBondContact OE1-NH2 3.09Å; E654-R668 IonicContact OE2-CZ 2.76Å; E654-R668 IonicContact OE2-NE 3.78Å; E654-R668 IonicContact OE2-NH1 3.18Å; E654-R668 PolarHBondContact OE2-NH1 3.02Å; E654-R668 IonicContact OE2-NH2 2.9Å; E654-R668 PolarHBondContact OE2-NH2 2.94Å
655	R	91.3	Very high	86.9	Confident	120 Å²	120	78.2 Å²	78.2	45%	0.453	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.3	172	-74.6	-172.5	-65.4	-162	2.1	107.9	L665 T688	R655-L665 HydrophobicContact CG-CD1 4.16Å; R655-T688 HydrophobicContact CG-CG2 3.87Å
656	M	87.1	Confident	87.1	Confident	28 Å²	28	75.8 Å²	75.8	14%	0.138	34%	0.34	C	S	.	.			trans	-80.8	138.5	167.5	-55.5	-55.8	-56.7	0	0	109	E658 R661 C664 Q666 L675 R684	M656-E658 VanDerWaalsContact CE-OE2 3.24Å; M656-E658 WeakPolarHBondContact CE-OE2 3.36Å; M656-R661 HydrophobicContact CB-CB 3.77Å; M656-R661 WeakPolarHBondContact CB-O 3.41Å; M656-R661 HydrophobicContact CG-CB 4.17Å; M656-C664 HydrophobicContact CB-CB 4.23Å; M656-C664 HydrophobicContact CG-CB 3.77Å; M656-C664 PolarHBondContact N-O 2.87Å; M656-Q666 HydrophobicContact SD-CB 4.05Å; M656-L675 HydrophobicContact CG-CD1 3.91Å; M656-L675 HydrophobicContact SD-CD1 4.16Å; M656-R684 PolarHBondContact O-NH1 3.16Å
657	E	80.2	Confident	87.2	Confident	155 Å²	155	75.8 Å²	75.8	72%	0.724	34%	0.341	S	S	*	.			trans	-116.3	-3.5	-176.3	-60.4	-176	167.2	0	0	112.6
658	E	79.5	Confident	87.5	Confident	93 Å²	93	78.9 Å²	78.9	44%	0.435	35%	0.348	S	S	.	.	S	Bend	trans	-67	135	167.6	-53.5	156	141.4	0	0	110	M656 E660 R661 I662	M656-E658 VanDerWaalsContact CE-OE2 3.24Å; M656-E658 WeakPolarHBondContact CE-OE2 3.36Å; E658-E660 PolarHBondContact O-N 3.06Å; E658-R661 HydrophobicContact CB-CB 4.35Å; E658-R661 CarbonylContact O-C 3.5Å; E658-R661 VanDerWaalsContact O-C 3.29Å; E658-R661 WeakPolarHBondContact O-CA 3.05Å; E658-R661 PolarHBondContact O-N 3.09Å; E658-R661 IonicContact OE1-CZ 2.82Å; E658-R661 IonicContact OE1-NH1 3.81Å; E658-R661 PolarHBondContact OE1-NH1 2.91Å; E658-R661 WeakPolarHBondContact OE2-CD 3.2Å; E658-R661 WeakPolarHBondContact OE2-CG 3.38Å; E658-R661 IonicContact OE2-CZ 3.24Å; E658-R661 IonicContact OE2-NE 3.66Å; E658-R661 IonicContact OE2-NH1 2.75Å; E658-R661 PolarHBondContact OE2-NH1 2.8Å; E658-I662 PolarHBondContact O-N 2.97Å
659	D	73.5	Confident	87.6	Confident	142 Å²	142	79.7 Å²	79.7	76%	0.759	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-53.4	-47.8	-174.2	-68.6	-54	0	0	0	113.8	R661 I662	D659-R661 PolarHBondContact O-N 2.66Å; D659-R661 VanDerWaalsContact O-N 3.16Å; D659-I662 WeakPolarHBondContact O-CB 3.33Å; D659-I662 VanDerWaalsContact O-CG2 3.32Å; D659-I662 WeakPolarHBondContact O-CG2 3.38Å; D659-I662 PolarHBondContact O-N 3.27Å
660	E	78.8	Confident	88	Confident	182 Å²	182	88.5 Å²	88.5	85%	0.85	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.8	177.2	-62	-171.1	159.4	0	0	112.9	E658	E658-E660 PolarHBondContact O-N 3.06Å
661	R	82.9	Confident	88.1	Confident	102 Å²	102	85.7 Å²	85.7	39%	0.385	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-109.8	10.6	-174.7	-50.3	-157.2	-168.8	118.2	3.3	112.7	M656 E658 D659 R663 C664	M656-R661 HydrophobicContact CB-CB 3.77Å; M656-R661 WeakPolarHBondContact CB-O 3.41Å; M656-R661 HydrophobicContact CG-CB 4.17Å; E658-R661 HydrophobicContact CB-CB 4.35Å; E658-R661 CarbonylContact O-C 3.5Å; E658-R661 VanDerWaalsContact O-C 3.29Å; E658-R661 WeakPolarHBondContact O-CA 3.05Å; E658-R661 PolarHBondContact O-N 3.09Å; E658-R661 IonicContact OE1-CZ 2.82Å; E658-R661 IonicContact OE1-NH1 3.81Å; E658-R661 PolarHBondContact OE1-NH1 2.91Å; E658-R661 WeakPolarHBondContact OE2-CD 3.2Å; E658-R661 WeakPolarHBondContact OE2-CG 3.38Å; E658-R661 IonicContact OE2-CZ 3.24Å; E658-R661 IonicContact OE2-NE 3.66Å; E658-R661 IonicContact OE2-NH1 2.75Å; E658-R661 PolarHBondContact OE2-NH1 2.8Å; D659-R661 PolarHBondContact O-N 2.66Å; D659-R661 VanDerWaalsContact O-N 3.16Å; R661-R663 PolarHBondContact O-N 3Å; R661-C664 HydrophobicContact CB-CB 4.23Å; R661-C664 WeakPolarHBondContact O-CA 3.3Å; R661-C664 WeakPolarHBondContact O-CB 3.36Å; R661-C664 PolarHBondContact O-N 3.24Å; R661-C664 PolarHBondContact O-SG 2.98Å
662	I	88.3	Confident	88	Confident	57 Å²	57	88.7 Å²	88.7	29%	0.292	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.7	-178.3	-153.5	173.9	0	0	0	113.4	E658 D659 C664 E681 R684	E658-I662 PolarHBondContact O-N 2.97Å; D659-I662 WeakPolarHBondContact O-CB 3.33Å; D659-I662 VanDerWaalsContact O-CG2 3.32Å; D659-I662 WeakPolarHBondContact O-CG2 3.38Å; D659-I662 PolarHBondContact O-N 3.27Å; I662-C664 VanDerWaalsContact C-N 3.33Å; I662-E681 HydrophobicContact CG1-CG 4.08Å; I662-E681 WeakPolarHBondContact O-CG 3.25Å; I662-R684 PolarHBondContact O-NE 2.86Å; I662-R684 VanDerWaalsContact O-NE 3.13Å; I662-R684 PolarHBondContact O-NH1 3.15Å; I662-R684 PolarHBondContact O-NH2 2.83Å
663	R	90.9	Very high	87.9	Confident	139 Å²	139	84.6 Å²	84.6	53%	0.525	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.8	173.4	-48.9	-175.1	-156.3	-172.9	10.8	113.9	R661 I677 F678 S679	R661-R663 PolarHBondContact O-N 3Å; R663-I677 HydrophobicContact CB-CG2 4.3Å; R663-F678 PolarHBondContact O-N 3.18Å; R663-S679 PolarHBondContact NH1-O 2.62Å
664	C	92.6	Very high	87.8	Confident	5 Å²	5	83 Å²	83	3%	0.034	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.2	-171	-56.4	0	0	0	0	113.3	M656 R661 I662 L675 I676 R684	M656-C664 HydrophobicContact CB-CB 4.23Å; M656-C664 HydrophobicContact CG-CB 3.77Å; M656-C664 PolarHBondContact N-O 2.87Å; R661-C664 HydrophobicContact CB-CB 4.23Å; R661-C664 WeakPolarHBondContact O-CA 3.3Å; R661-C664 WeakPolarHBondContact O-CB 3.36Å; R661-C664 PolarHBondContact O-N 3.24Å; R661-C664 PolarHBondContact O-SG 2.98Å; I662-C664 VanDerWaalsContact C-N 3.33Å; C664-L675 HydrophobicContact CB-CD1 3.84Å; C664-L675 HydrophobicContact CB-CG 4.19Å; C664-I676 CarbonylContact C-O 3.53Å; C664-I676 WeakPolarHBondContact CA-O 3.26Å; C664-R684 WeakPolarHBondContact O-CG 3.49Å
665	L	94.2	Very high	87.9	Confident	1 Å²	1	80.5 Å²	80.5	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.6	169	-171.1	77.1	0	0	0	108.7	F653 E654 R655 I667 I676 F678 L691	F653-L665 HydrophobicContact CB-CD1 4.39Å; F653-L665 HydrophobicContact CB-CD2 4.28Å; F653-L665 HydrophobicContact CB-CG 4.28Å; F653-L665 HydrophobicContact CD2-CD1 4.17Å; E654-L665 WeakPolarHBondContact O-CD1 3.37Å; R655-L665 HydrophobicContact CG-CD1 4.16Å; L665-I667 HydrophobicContact CD2-CG1 4.35Å; L665-I676 PolarHBondContact N-O 3.44Å; L665-I676 PolarHBondContact O-N 3.44Å; L665-F678 HydrophobicContact CB-CE2 3.71Å; L665-F678 HydrophobicContact CD2-CE2 4.33Å; L665-L691 HydrophobicContact CD2-CD1 3.75Å
666	Q	93.9	Very high	88.1	Confident	57 Å²	57	74.8 Å²	74.8	27%	0.266	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	108.7	176.5	-160.8	-174.7	64.8	0	0	109.9	F653 E654 M656 L675	F653-Q666 CarbonylContact C-O 3.57Å; F653-Q666 VanDerWaalsContact CA-O 3.26Å; F653-Q666 WeakPolarHBondContact CA-O 3.24Å; E654-Q666 HydrophobicContact CB-CB 4.44Å; E654-Q666 PolarHBondContact N-O 3.1Å; E654-Q666 PolarHBondContact O-N 3.11Å; M656-Q666 HydrophobicContact SD-CB 4.05Å; Q666-L675 HydrophobicContact CB-CD1 3.77Å; Q666-L675 HydrophobicContact CG-CD1 4.07Å
667	I	93.5	Very high	88.4	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.1	173.7	-59.6	174.6	0	0	0	108.3	L627 I629 I646 M651 F653 L665 S673 A674 I676	L627-I667 HydrophobicContact CD2-CD1 3.64Å; I629-I667 HydrophobicContact CD1-CD1 4.31Å; I646-I667 HydrophobicContact CD1-CG2 4.18Å; M651-I667 HydrophobicContact CE-CG1 4.46Å; M651-I667 HydrophobicContact CE-CG2 4.13Å; M651-I667 HydrophobicContact CG-CG2 3.79Å; M651-I667 HydrophobicContact SD-CG2 3.7Å; F653-I667 HydrophobicContact CB-CG1 4.46Å; L665-I667 HydrophobicContact CD2-CG1 4.35Å; I667-S673 CarbonylContact O-C 3.54Å; I667-S673 WeakPolarHBondContact O-CA 3.39Å; I667-A674 PolarHBondContact N-O 3.09Å; I667-A674 PolarHBondContact O-N 3.33Å; I667-I676 HydrophobicContact CD1-CG1 3.77Å; I667-I676 HydrophobicContact CG1-CG1 4.4Å
668	R	93.3	Very high	89	Confident	99 Å²	99	68.4 Å²	68.4	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	177.4	-59.3	178.6	-176.6	160.1	1.6	109	K652 E654 S673	K652-R668 HydrophobicContact CB-CB 4.3Å; K652-R668 PolarHBondContact N-O 3.43Å; K652-R668 PolarHBondContact O-N 3.04Å; K652-R668 VanDerWaalsContact O-O 3.13Å; E654-R668 VanDerWaalsContact CD-CZ 3.5Å; E654-R668 VanDerWaalsContact CD-NH2 3.3Å; E654-R668 IonicContact OE1-CZ 3.06Å; E654-R668 VanDerWaalsContact OE1-CZ 3.29Å; E654-R668 IonicContact OE1-NH1 3.96Å; E654-R668 PolarHBondContact OE1-NH1 3.08Å; E654-R668 IonicContact OE1-NH2 3.92Å; E654-R668 PolarHBondContact OE1-NH2 3.09Å; E654-R668 IonicContact OE2-CZ 2.76Å; E654-R668 IonicContact OE2-NE 3.78Å; E654-R668 IonicContact OE2-NH1 3.18Å; E654-R668 PolarHBondContact OE2-NH1 3.02Å; E654-R668 IonicContact OE2-NH2 2.9Å; E654-R668 PolarHBondContact OE2-NH2 2.94Å; R668-S673 WeakPolarHBondContact CA-OG 3.45Å
669	S	90	Very high	89.6	Confident	17 Å²	17	67.9 Å²	67.9	12%	0.119	32%	0.324	C	S	.	.			trans	-154.6	154.3	178.7	-176.7	0	0	0	0	112.3	I646 V671 K672 S673	I646-S669 WeakPolarHBondContact CG2-OG 3.48Å; S669-V671 PolarHBondContact O-N 3.26Å; S669-V671 PolarHBondContact OG-N 3.29Å; S669-K672 WeakPolarHBondContact CB-O 3.4Å; S669-K672 CarbonylContact O-C 3.5Å; S669-K672 PolarHBondContact O-N 3.46Å; S669-S673 PolarHBondContact N-OG 2.79Å
670	R	87.3	Confident	90.5	Very high	240 Å²	240	63.2 Å²	63.2	91%	0.906	30%	0.303	S	S	*	.	S	Bend	trans	-60.8	-26.1	173.5	-65	-176.5	179.8	-179.2	-0.4	113.2
671	V	86.4	Confident	91.1	Very high	76 Å²	76	58.3 Å²	58.3	46%	0.461	28%	0.28	S	S	.	.	S	Bend	trans	-81.7	-51.2	176.3	179.6	0	0	0	0	110.8	I646 S669	I646-V671 HydrophobicContact CG1-CB 4.47Å; S669-V671 PolarHBondContact O-N 3.26Å; S669-V671 PolarHBondContact OG-N 3.29Å
672	K	87.2	Confident	91.6	Very high	67 Å²	67	61.5 Å²	61.5	29%	0.291	30%	0.296	S	S	.	.			trans	-157.4	133.3	176	-163.8	70	176.2	-164.6	0	111.3	Y644 I646 S669	Y644-K672 HydrophobicContact CD1-CB 3.95Å; Y644-K672 HydrophobicContact CD1-CD 4.1Å; Y644-K672 HydrophobicContact CD1-CG 4.09Å; Y644-K672 HydrophobicContact CD2-CB 4.16Å; Y644-K672 HydrophobicContact CD2-CD 4.2Å; Y644-K672 HydrophobicContact CD2-CG 3.71Å; Y644-K672 HydrophobicContact CE1-CB 4.46Å; Y644-K672 HydrophobicContact CE1-CD 3.75Å; Y644-K672 HydrophobicContact CE1-CG 4.21Å; Y644-K672 HydrophobicContact CE2-CD 3.82Å; Y644-K672 HydrophobicContact CE2-CG 3.8Å; Y644-K672 HydrophobicContact CG-CB 3.78Å; Y644-K672 HydrophobicContact CG-CD 4.33Å; Y644-K672 HydrophobicContact CG-CG 3.85Å; Y644-K672 WeakPolarHBondContact OH-CE 3.44Å; Y644-K672 PolarHBondContact OH-NZ 3.31Å; I646-K672 HydrophobicContact CD1-CB 4.39Å; S669-K672 WeakPolarHBondContact CB-O 3.4Å; S669-K672 CarbonylContact O-C 3.5Å; S669-K672 PolarHBondContact O-N 3.46Å
673	S	89.9	Confident	91.8	Very high	72 Å²	72	60.5 Å²	60.5	50%	0.503	29%	0.291	S	S	.	.			trans	-96.5	140.2	161.3	-58.5	0	0	0	0	110.4	I667 R668 S669	I667-S673 CarbonylContact O-C 3.54Å; I667-S673 WeakPolarHBondContact O-CA 3.39Å; R668-S673 WeakPolarHBondContact CA-OG 3.45Å; S669-S673 PolarHBondContact N-OG 2.79Å
674	A	91.9	Very high	91.9	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	132.3	-174.1	0	0	0	0	0	110.7	K609 I629 I667 I676	K609-A674 HydrophobicContact CD-CB 4.23Å; K609-A674 HydrophobicContact CG-CB 4.25Å; I629-A674 HydrophobicContact CD1-CB 4.2Å; I667-A674 PolarHBondContact N-O 3.09Å; I667-A674 PolarHBondContact O-N 3.33Å; A674-I676 HydrophobicContact CB-CD1 4.17Å
675	L	93.3	Very high	91.9	Very high	33 Å²	33	56.1 Å²	56.1	17%	0.173	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119	160.7	-171.6	72.8	0	0	0	107.7	Q610 M656 C664 Q666	Q610-L675 HydrophobicContact CB-CB 4.11Å; Q610-L675 HydrophobicContact CB-CD2 4.26Å; Q610-L675 PolarHBondContact N-O 3.35Å; M656-L675 HydrophobicContact CG-CD1 3.91Å; M656-L675 HydrophobicContact SD-CD1 4.16Å; C664-L675 HydrophobicContact CB-CD1 3.84Å; C664-L675 HydrophobicContact CB-CG 4.19Å; Q666-L675 HydrophobicContact CB-CD1 3.77Å; Q666-L675 HydrophobicContact CG-CD1 4.07Å
676	I	94.8	Very high	91.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.4	174.8	-56.8	-58.8	0	0	0	108.2	V607 K609 L620 I629 C664 L665 I667 A674 F678	V607-I676 HydrophobicContact CB-CG2 3.68Å; V607-I676 HydrophobicContact CG1-CG2 3.99Å; V607-I676 HydrophobicContact CG2-CD1 4.36Å; V607-I676 HydrophobicContact CG2-CG2 3.67Å; K609-I676 HydrophobicContact CB-CD1 4.13Å; K609-I676 HydrophobicContact CG-CD1 3.99Å; L620-I676 HydrophobicContact CD1-CG2 4.27Å; L620-I676 HydrophobicContact CD2-CD1 4.49Å; I629-I676 HydrophobicContact CG2-CD1 4.49Å; C664-I676 CarbonylContact C-O 3.53Å; C664-I676 WeakPolarHBondContact CA-O 3.26Å; L665-I676 PolarHBondContact N-O 3.44Å; L665-I676 PolarHBondContact O-N 3.44Å; I667-I676 HydrophobicContact CD1-CG1 3.77Å; I667-I676 HydrophobicContact CG1-CG1 4.4Å; A674-I676 HydrophobicContact CB-CD1 4.17Å; I676-F678 HydrophobicContact CB-CE2 4.34Å; I676-F678 HydrophobicContact CB-CZ 4.41Å; I676-F678 HydrophobicContact CG2-CD1 4.43Å; I676-F678 HydrophobicContact CG2-CD2 4.31Å; I676-F678 HydrophobicContact CG2-CE1 3.95Å; I676-F678 HydrophobicContact CG2-CE2 3.83Å; I676-F678 HydrophobicContact CG2-CZ 3.63Å
677	I	93.5	Very high	91.9	Very high	41 Å²	41	54.6 Å²	54.6	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.7	176.4	-41.8	-169.7	0	0	0	107.7	M608 L615 R663	M608-I677 HydrophobicContact CB-CB 4.34Å; M608-I677 PolarHBondContact N-O 3.03Å; M608-I677 PolarHBondContact O-N 2.73Å; L615-I677 HydrophobicContact CD2-CD1 3.52Å; L615-I677 HydrophobicContact CD2-CG1 4.48Å; R663-I677 HydrophobicContact CB-CG2 4.3Å
678	F	94.2	Very high	91.9	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.035	27%	0.271	C	S	.	.			trans	-96.4	165.9	179.9	-65.1	-77.4	0	0	0	111.6	V607 L620 R663 L665 I676 S680 E683 R684 W687	V607-F678 HydrophobicContact CG1-CD1 3.6Å; V607-F678 HydrophobicContact CG1-CE1 3.48Å; V607-F678 VanDerWaalsContact CG1-CE1 3.48Å; L620-F678 HydrophobicContact CD1-CE1 4.05Å; L620-F678 HydrophobicContact CD1-CZ 4.15Å; R663-F678 PolarHBondContact O-N 3.18Å; L665-F678 HydrophobicContact CB-CE2 3.71Å; L665-F678 HydrophobicContact CD2-CE2 4.33Å; I676-F678 HydrophobicContact CB-CE2 4.34Å; I676-F678 HydrophobicContact CB-CZ 4.41Å; I676-F678 HydrophobicContact CG2-CD1 4.43Å; I676-F678 HydrophobicContact CG2-CD2 4.31Å; I676-F678 HydrophobicContact CG2-CE1 3.95Å; I676-F678 HydrophobicContact CG2-CE2 3.83Å; I676-F678 HydrophobicContact CG2-CZ 3.63Å; F678-S680 PolarHBondContact O-N 2.68Å; F678-E683 HydrophobicContact CB-CB 4.08Å; F678-E683 HydrophobicContact CB-CG 3.95Å; F678-E683 HydrophobicContact CD1-CG 3.67Å; F678-E683 HydrophobicContact CE1-CG 4.49Å; F678-E683 HydrophobicContact CG-CG 4.04Å; F678-R684 HydrophobicContact CB-CB 4.33Å; F678-R684 HydrophobicContact CD2-CB 3.71Å; F678-R684 HydrophobicContact CD2-CG 4.07Å; F678-R684 HydrophobicContact CE2-CB 4.46Å; F678-R684 HydrophobicContact CG-CB 4.32Å; F678-W687 AromaticContact CD1-CD1 3.68Å; F678-W687 HydrophobicContact CD1-CG 4.34Å; F678-W687 AromaticContact CD1-NE1 3.88Å; F678-W687 HydrophobicContact CE1-CB 4.13Å; F678-W687 AromaticContact CE1-CD1 3.18Å; F678-W687 AromaticContact CE1-CD2 3.85Å; F678-W687 HydrophobicContact CE1-CD2 3.85Å; F678-W687 AromaticContact CE1-CE2 3.79Å; F678-W687 AromaticContact CE1-CG 3.48Å; F678-W687 HydrophobicContact CE1-CG 3.48Å; F678-W687 VanDerWaalsContact CE1-CG 3.48Å; F678-W687 AromaticContact CE1-NE1 3.34Å; F678-W687 VanDerWaalsContact CE1-NE1 3.34Å; F678-W687 HydrophobicContact CE2-CB 4.25Å; F678-W687 HydrophobicContact CE2-CG 4.45Å; F678-W687 HydrophobicContact CZ-CB 3.72Å; F678-W687 AromaticContact CZ-CD1 3.72Å; F678-W687 HydrophobicContact CZ-CD2 4.01Å; F678-W687 AromaticContact CZ-CG 3.54Å; F678-W687 HydrophobicContact CZ-CG 3.54Å
679	S	91.9	Very high	91.9	Very high	81 Å²	81	54.2 Å²	54.2	57%	0.566	28%	0.275	S	S	*	.	S	Bend	trans	-55.8	-40.1	177.3	60.6	0	0	0	0	112.4	R663 E683	R663-S679 PolarHBondContact NH1-O 2.62Å; S679-E683 WeakPolarHBondContact CB-OE2 3.2Å; S679-E683 PolarHBondContact N-OE2 3.02Å; S679-E683 PolarHBondContact OG-OE2 3.09Å
680	S	92.2	Very high	92	Very high	45 Å²	45	54.5 Å²	54.5	32%	0.315	28%	0.275	S	S	.	.	S	Bend	trans	-149.2	158.3	-170	59.4	0	0	0	0	111.1	F678 K682 E683 R684	F678-S680 PolarHBondContact O-N 2.68Å; S680-K682 PolarHBondContact O-N 2.87Å; S680-E683 PolarHBondContact O-N 3.01Å; S680-E683 VanDerWaalsContact O-N 3.16Å; S680-E683 PolarHBondContact OG-N 2.97Å; S680-R684 PolarHBondContact O-N 2.77Å; S680-R684 VanDerWaalsContact O-N 3.1Å
681	E	92	Very high	92.4	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-36.3	173.7	-158.1	-144.4	151.8	0	0	112.3	I662 E683 R684 N685	I662-E681 HydrophobicContact CG1-CG 4.08Å; I662-E681 WeakPolarHBondContact O-CG 3.25Å; E681-E683 VanDerWaalsContact C-N 3.26Å; E681-E683 PolarHBondContact O-N 3.03Å; E681-R684 VanDerWaalsContact CG-NH2 3.3Å; E681-R684 WeakPolarHBondContact O-CB 3.35Å; E681-R684 PolarHBondContact O-N 3.05Å; E681-R684 VanDerWaalsContact O-N 3.14Å; E681-R684 IonicContact OE1-CZ 2.65Å; E681-R684 IonicContact OE1-NH2 2.72Å; E681-R684 PolarHBondContact OE1-NH2 3.33Å; E681-N685 WeakPolarHBondContact O-CB 3.49Å; E681-N685 PolarHBondContact O-N 3Å; E681-N685 PolarHBondContact O-ND2 3.22Å; E681-N685 PolarHBondContact OE1-ND2 3.06Å
682	K	92	Very high	92.7	Very high	169 Å²	169	42.9 Å²	42.9	74%	0.735	23%	0.231	S	C	*	.	H	α-helix	trans	-61.6	-32.9	176.6	-171.2	174.6	-177.5	175.8	0	112.6	S680 Q686	S680-K682 PolarHBondContact O-N 2.87Å; K682-Q686 PolarHBondContact O-N 2.96Å
683	E	92.2	Very high	92.7	Very high	37 Å²	37	42.8 Å²	42.8	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-73.2	-47.7	170.8	-179.4	178	-161.6	0	0	111.2	S605 F678 S679 S680 E681 N685 Q686 W687	S605-E683 VanDerWaalsContact CB-OE1 3.31Å; S605-E683 WeakPolarHBondContact CB-OE1 3.49Å; S605-E683 PolarHBondContact OG-OE1 2.55Å; F678-E683 HydrophobicContact CB-CB 4.08Å; F678-E683 HydrophobicContact CB-CG 3.95Å; F678-E683 HydrophobicContact CD1-CG 3.67Å; F678-E683 HydrophobicContact CE1-CG 4.49Å; F678-E683 HydrophobicContact CG-CG 4.04Å; S679-E683 WeakPolarHBondContact CB-OE2 3.2Å; S679-E683 PolarHBondContact N-OE2 3.02Å; S679-E683 PolarHBondContact OG-OE2 3.09Å; S680-E683 PolarHBondContact O-N 3.01Å; S680-E683 VanDerWaalsContact O-N 3.16Å; S680-E683 PolarHBondContact OG-N 2.97Å; E681-E683 VanDerWaalsContact C-N 3.26Å; E681-E683 PolarHBondContact O-N 3.03Å; E683-N685 VanDerWaalsContact C-N 3.3Å; E683-N685 PolarHBondContact O-N 2.78Å; E683-Q686 PolarHBondContact O-N 2.91Å; E683-W687 PolarHBondContact O-N 3.32Å
684	R	93.6	Very high	92.6	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.045	21%	0.208	C	C	.	.	H	α-helix	trans	-52	-46.3	175.7	-179.6	-83.4	-62.9	-122.4	12.3	112.2	M656 I662 C664 F678 S680 E681 W687 T688	M656-R684 PolarHBondContact O-NH1 3.16Å; I662-R684 PolarHBondContact O-NE 2.86Å; I662-R684 VanDerWaalsContact O-NE 3.13Å; I662-R684 PolarHBondContact O-NH1 3.15Å; I662-R684 PolarHBondContact O-NH2 2.83Å; C664-R684 WeakPolarHBondContact O-CG 3.49Å; F678-R684 HydrophobicContact CB-CB 4.33Å; F678-R684 HydrophobicContact CD2-CB 3.71Å; F678-R684 HydrophobicContact CD2-CG 4.07Å; F678-R684 HydrophobicContact CE2-CB 4.46Å; F678-R684 HydrophobicContact CG-CB 4.32Å; S680-R684 PolarHBondContact O-N 2.77Å; S680-R684 VanDerWaalsContact O-N 3.1Å; E681-R684 VanDerWaalsContact CG-NH2 3.3Å; E681-R684 WeakPolarHBondContact O-CB 3.35Å; E681-R684 PolarHBondContact O-N 3.05Å; E681-R684 VanDerWaalsContact O-N 3.14Å; E681-R684 IonicContact OE1-CZ 2.65Å; E681-R684 IonicContact OE1-NH2 2.72Å; E681-R684 PolarHBondContact OE1-NH2 3.33Å; R684-W687 PolarHBondContact O-N 2.76Å; R684-T688 PolarHBondContact O-N 2.67Å; R684-T688 PolarHBondContact O-OG1 3.41Å
685	N	93.3	Very high	92.5	Very high	39 Å²	39	40 Å²	40	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-45.3	179.6	-71.2	-24.6	0	0	0	111.4	E681 E683 W687 T688 D689	E681-N685 WeakPolarHBondContact O-CB 3.49Å; E681-N685 PolarHBondContact O-N 3Å; E681-N685 PolarHBondContact O-ND2 3.22Å; E681-N685 PolarHBondContact OE1-ND2 3.06Å; E683-N685 VanDerWaalsContact C-N 3.3Å; E683-N685 PolarHBondContact O-N 2.78Å; N685-W687 VanDerWaalsContact C-N 3.34Å; N685-W687 PolarHBondContact O-N 3.01Å; N685-T688 WeakPolarHBondContact O-CA 3.31Å; N685-T688 VanDerWaalsContact O-CB 3.25Å; N685-T688 WeakPolarHBondContact O-CB 3.47Å; N685-T688 PolarHBondContact O-N 3.12Å; N685-D689 PolarHBondContact O-N 3.42Å
686	Q	92.9	Very high	92.2	Very high	25 Å²	25	43.9 Å²	43.9	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-41.1	175.6	-173.6	70.5	65.9	0	0	113	K173 K682 E683 T688 D689 D690	K173-Q686 HydrophobicContact CD-CG 4.5Å; K173-Q686 VanDerWaalsContact CE-OE1 3.22Å; K682-Q686 PolarHBondContact O-N 2.96Å; E683-Q686 PolarHBondContact O-N 2.91Å; Q686-T688 VanDerWaalsContact C-N 3.26Å; Q686-T688 PolarHBondContact O-N 3.02Å; Q686-D689 PolarHBondContact O-N 3.44Å; Q686-D690 PolarHBondContact NE2-OD1 3.31Å; Q686-D690 WeakPolarHBondContact O-CB 3.38Å; Q686-D690 VanDerWaalsContact O-CG 3.24Å; Q686-D690 PolarHBondContact O-N 3.11Å
687	W	94.8	Very high	91.2	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-34.8	174.1	-88.3	96.5	0	0	0	111.8	R603 S605 L620 L622 L627 F678 E683 R684 N685 L691	R603-W687 HydrophobicContact CB-CH2 4.16Å; R603-W687 HydrophobicContact CB-CZ2 4.3Å; R603-W687 HydrophobicContact CB-CZ3 4.49Å; R603-W687 HydrophobicContact CG-CD2 4.35Å; R603-W687 HydrophobicContact CG-CH2 3.88Å; R603-W687 HydrophobicContact CG-CZ2 3.52Å; R603-W687 HydrophobicContact CG-CZ3 4.48Å; S605-W687 WeakPolarHBondContact OG-CZ2 3.47Å; S605-W687 PolarHBondContact OG-NE1 3.26Å; L620-W687 HydrophobicContact CB-CH2 3.27Å; L620-W687 HydrophobicContact CB-CZ2 3.66Å; L620-W687 HydrophobicContact CB-CZ3 3.99Å; L620-W687 HydrophobicContact CD1-CD2 4.3Å; L620-W687 HydrophobicContact CD1-CE3 4.1Å; L620-W687 HydrophobicContact CD1-CH2 3.79Å; L620-W687 HydrophobicContact CD1-CZ2 3.94Å; L620-W687 HydrophobicContact CD1-CZ3 3.83Å; L620-W687 HydrophobicContact CG-CH2 4.18Å; L620-W687 HydrophobicContact CG-CZ2 4.38Å; L622-W687 HydrophobicContact CB-CH2 4.25Å; L622-W687 HydrophobicContact CB-CZ3 3.82Å; L622-W687 HydrophobicContact CD2-CZ3 4.36Å; L627-W687 HydrophobicContact CD1-CZ3 3.89Å; F678-W687 AromaticContact CD1-CD1 3.68Å; F678-W687 HydrophobicContact CD1-CG 4.34Å; F678-W687 AromaticContact CD1-NE1 3.88Å; F678-W687 HydrophobicContact CE1-CB 4.13Å; F678-W687 AromaticContact CE1-CD1 3.18Å; F678-W687 AromaticContact CE1-CD2 3.85Å; F678-W687 HydrophobicContact CE1-CD2 3.85Å; F678-W687 AromaticContact CE1-CE2 3.79Å; F678-W687 AromaticContact CE1-CG 3.48Å; F678-W687 HydrophobicContact CE1-CG 3.48Å; F678-W687 VanDerWaalsContact CE1-CG 3.48Å; F678-W687 AromaticContact CE1-NE1 3.34Å; F678-W687 VanDerWaalsContact CE1-NE1 3.34Å; F678-W687 HydrophobicContact CE2-CB 4.25Å; F678-W687 HydrophobicContact CE2-CG 4.45Å; F678-W687 HydrophobicContact CZ-CB 3.72Å; F678-W687 AromaticContact CZ-CD1 3.72Å; F678-W687 HydrophobicContact CZ-CD2 4.01Å; F678-W687 AromaticContact CZ-CG 3.54Å; F678-W687 HydrophobicContact CZ-CG 3.54Å; E683-W687 PolarHBondContact O-N 3.32Å; R684-W687 PolarHBondContact O-N 2.76Å; N685-W687 VanDerWaalsContact C-N 3.34Å; N685-W687 PolarHBondContact O-N 3.01Å; W687-L691 HydrophobicContact CE3-CD1 4.48Å; W687-L691 WeakPolarHBondContact O-CB 3.44Å; W687-L691 WeakPolarHBondContact O-CD1 3.45Å; W687-L691 WeakPolarHBondContact O-CG 3.3Å; W687-L691 PolarHBondContact O-N 2.91Å
688	T	93.3	Very high	90.6	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.049	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-46.8	173.8	-50.5	0	0	0	0	111	F653 R655 R684 N685 Q686 L691 T692	F653-T688 HydrophobicContact CD2-CG2 4.2Å; F653-T688 HydrophobicContact CE2-CG2 3.78Å; R655-T688 HydrophobicContact CG-CG2 3.87Å; R684-T688 PolarHBondContact O-N 2.67Å; R684-T688 PolarHBondContact O-OG1 3.41Å; N685-T688 WeakPolarHBondContact O-CA 3.31Å; N685-T688 VanDerWaalsContact O-CB 3.25Å; N685-T688 WeakPolarHBondContact O-CB 3.47Å; N685-T688 PolarHBondContact O-N 3.12Å; Q686-T688 VanDerWaalsContact C-N 3.26Å; Q686-T688 PolarHBondContact O-N 3.02Å; T688-L691 PolarHBondContact O-N 2.7Å; T688-T692 WeakPolarHBondContact O-CB 3.48Å; T688-T692 PolarHBondContact O-N 3.2Å; T688-T692 PolarHBondContact O-OG1 2.86Å
689	D	93.9	Very high	89.8	Confident	85 Å²	85	50.7 Å²	50.7	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-49.9	179.3	-61.8	-25.4	0	0	0	111.4	N685 Q686 L691 T692 K693	N685-D689 PolarHBondContact O-N 3.42Å; Q686-D689 PolarHBondContact O-N 3.44Å; D689-L691 PolarHBondContact O-N 3.39Å; D689-T692 WeakPolarHBondContact O-CB 3.31Å; D689-T692 PolarHBondContact O-N 3.02Å; D689-K693 WeakPolarHBondContact O-CB 3.36Å; D689-K693 PolarHBondContact O-N 3.36Å
690	D	92.2	Very high	88.7	Confident	22 Å²	22	47.6 Å²	47.6	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-37.9	-177	-66.1	-6.4	0	0	0	111.7	I602 R603 L622 Q686 A694	I602-D690 HydrophobicContact CG2-CB 4.18Å; R603-D690 IonicContact CZ-OD2 3.93Å; R603-D690 IonicContact NE-OD2 3.97Å; R603-D690 PolarHBondContact NE-OD2 3.32Å; R603-D690 IonicContact NH2-OD2 3.33Å; R603-D690 PolarHBondContact NH2-OD2 2.85Å; L622-D690 HydrophobicContact CD2-CB 4.2Å; Q686-D690 PolarHBondContact NE2-OD1 3.31Å; Q686-D690 WeakPolarHBondContact O-CB 3.38Å; Q686-D690 VanDerWaalsContact O-CG 3.24Å; Q686-D690 PolarHBondContact O-N 3.11Å; D690-A694 VanDerWaalsContact O-CB 3.25Å; D690-A694 WeakPolarHBondContact O-CB 3.32Å; D690-A694 PolarHBondContact O-N 2.86Å
691	L	94.1	Very high	87.2	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-37.9	173	-74.7	172	0	0	0	112.4	L622 L627 L648 M651 F653 L665 W687 T688 D689 Q695	L622-L691 HydrophobicContact CD1-CD2 3.55Å; L622-L691 HydrophobicContact CD2-CD2 3.79Å; L622-L691 HydrophobicContact CD2-CG 4.19Å; L622-L691 HydrophobicContact CG-CD2 4.3Å; L627-L691 HydrophobicContact CD2-CD2 4.37Å; L648-L691 HydrophobicContact CD2-CD2 4.06Å; M651-L691 HydrophobicContact CE-CD1 3.85Å; M651-L691 HydrophobicContact CE-CD2 3.71Å; M651-L691 HydrophobicContact CE-CG 4.33Å; F653-L691 HydrophobicContact CD1-CB 4.06Å; F653-L691 HydrophobicContact CD1-CD1 4.36Å; F653-L691 HydrophobicContact CE1-CB 3.64Å; F653-L691 HydrophobicContact CE2-CB 4.37Å; F653-L691 HydrophobicContact CG-CD1 4.41Å; F653-L691 HydrophobicContact CZ-CB 3.83Å; L665-L691 HydrophobicContact CD2-CD1 3.75Å; W687-L691 HydrophobicContact CE3-CD1 4.48Å; W687-L691 WeakPolarHBondContact O-CB 3.44Å; W687-L691 WeakPolarHBondContact O-CD1 3.45Å; W687-L691 WeakPolarHBondContact O-CG 3.3Å; W687-L691 PolarHBondContact O-N 2.91Å; T688-L691 PolarHBondContact O-N 2.7Å; D689-L691 PolarHBondContact O-N 3.39Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 WeakPolarHBondContact O-CG 3.2Å; L691-Q695 PolarHBondContact O-N 3.21Å
692	T	92.6	Very high	85.8	Confident	72 Å²	72	46.7 Å²	46.7	44%	0.442	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-48.1	176.1	-58	0	0	0	0	110.3	F653 T688 D689 Q695 Y696	F653-T692 WeakPolarHBondContact CZ-OG1 3.44Å; T688-T692 WeakPolarHBondContact O-CB 3.48Å; T688-T692 PolarHBondContact O-N 3.2Å; T688-T692 PolarHBondContact O-OG1 2.86Å; D689-T692 WeakPolarHBondContact O-CB 3.31Å; D689-T692 PolarHBondContact O-N 3.02Å; T692-Q695 PolarHBondContact O-N 3.33Å; T692-Y696 WeakPolarHBondContact O-CB 3.22Å; T692-Y696 PolarHBondContact O-N 2.98Å
693	K	88.2	Confident	84.5	Confident	64 Å²	64	46.1 Å²	46.1	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-59.3	-55.3	175.5	-174.9	178.8	-179.8	-179.4	0	111.4	A176 D689 Q695 Y696 D697	A176-K693 PolarHBondContact O-NZ 2.82Å; D689-K693 WeakPolarHBondContact O-CB 3.36Å; D689-K693 PolarHBondContact O-N 3.36Å; K693-Q695 VanDerWaalsContact C-N 3.29Å; K693-Q695 PolarHBondContact O-N 2.65Å; K693-Y696 WeakPolarHBondContact O-CB 3.25Å; K693-Y696 PolarHBondContact O-N 3.36Å; K693-D697 WeakPolarHBondContact CG-OD2 3.26Å; K693-D697 VanDerWaalsContact O-CG 3.25Å; K693-D697 PolarHBondContact O-N 2.85Å
694	A	87.5	Confident	82.8	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-37.3	-179	0	0	0	0	0	112.8	I602 L648 D690 R698	I602-A694 HydrophobicContact CD1-CB 3.64Å; L648-A694 HydrophobicContact CD1-CB 3.71Å; D690-A694 VanDerWaalsContact O-CB 3.25Å; D690-A694 WeakPolarHBondContact O-CB 3.32Å; D690-A694 PolarHBondContact O-N 2.86Å; A694-R698 WeakPolarHBondContact O-CB 3.28Å; A694-R698 PolarHBondContact O-N 3.35Å
695	Q	89.6	Confident	80.7	Confident	15 Å²	15	49.6 Å²	49.6	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-41.8	172.5	-77.8	-156.8	15.4	0	0	113.3	L648 M651 F653 L691 T692 K693 R698 K699	L648-Q695 HydrophobicContact CB-CG 4.28Å; L648-Q695 PolarHBondContact O-NE2 2.83Å; M651-Q695 PolarHBondContact O-NE2 3.46Å; M651-Q695 PolarHBondContact O-OE1 2.78Å; F653-Q695 HydrophobicContact CE1-CG 4.23Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 WeakPolarHBondContact O-CG 3.2Å; L691-Q695 PolarHBondContact O-N 3.21Å; T692-Q695 PolarHBondContact O-N 3.33Å; K693-Q695 VanDerWaalsContact C-N 3.29Å; K693-Q695 PolarHBondContact O-N 2.65Å; Q695-R698 PolarHBondContact O-N 2.9Å; Q695-K699 VanDerWaalsContact O-CB 3.29Å; Q695-K699 WeakPolarHBondContact O-CB 3.44Å; Q695-K699 WeakPolarHBondContact O-CD 3.31Å; Q695-K699 WeakPolarHBondContact O-CG 3.3Å; Q695-K699 PolarHBondContact O-N 3Å
696	Y	86.8	Confident	78.7	Confident	116 Å²	116	50.7 Å²	50.7	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-49.2	176.5	178.3	-91.8	0	0	0	110.6	V185 T692 K693 R698 K699 S700	V185-Y696 WeakPolarHBondContact CG2-OH 3.47Å; T692-Y696 WeakPolarHBondContact O-CB 3.22Å; T692-Y696 PolarHBondContact O-N 2.98Å; K693-Y696 WeakPolarHBondContact O-CB 3.25Å; K693-Y696 PolarHBondContact O-N 3.36Å; Y696-R698 PolarHBondContact O-N 3.41Å; Y696-K699 PolarHBondContact O-N 3.22Å; Y696-S700 VanDerWaalsContact O-CB 3.26Å; Y696-S700 WeakPolarHBondContact O-CB 3.22Å; Y696-S700 PolarHBondContact O-N 2.91Å; Y696-S700 PolarHBondContact O-OG 2.96Å
697	D	74.6	Confident	76.9	Confident	52 Å²	52	52.4 Å²	52.4	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-46	179.3	-63.4	-26.3	0	0	0	110.9	K693 S700 Y701	K693-D697 WeakPolarHBondContact CG-OD2 3.26Å; K693-D697 VanDerWaalsContact O-CG 3.25Å; K693-D697 PolarHBondContact O-N 2.85Å; D697-S700 PolarHBondContact O-N 3.27Å; D697-Y701 WeakPolarHBondContact O-CB 3.15Å; D697-Y701 PolarHBondContact O-N 3.35Å
698	R	79.8	Confident	74.4	Confident	56 Å²	56	52.7 Å²	52.7	21%	0.211	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-41.9	178.3	-172.9	61.2	172.7	-162.2	-5.8	112.8	A694 Q695 Y696 K702	A694-R698 WeakPolarHBondContact O-CB 3.28Å; A694-R698 PolarHBondContact O-N 3.35Å; Q695-R698 PolarHBondContact O-N 2.9Å; Y696-R698 PolarHBondContact O-N 3.41Å; R698-K702 WeakPolarHBondContact O-CB 3.03Å; R698-K702 PolarHBondContact O-N 2.85Å
699	K	78.2	Confident	72.1	Confident	84 Å²	84	54 Å²	54	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-69.9	-35.3	176.9	-71.1	168	-169.9	169.6	0	112	Q695 Y696 R703	Q695-K699 VanDerWaalsContact O-CB 3.29Å; Q695-K699 WeakPolarHBondContact O-CB 3.44Å; Q695-K699 WeakPolarHBondContact O-CD 3.31Å; Q695-K699 WeakPolarHBondContact O-CG 3.3Å; Q695-K699 PolarHBondContact O-N 3Å; Y696-K699 PolarHBondContact O-N 3.22Å; K699-R703 PolarHBondContact O-N 2.6Å
700	S	69.7	Low	70.5	Confident	15 Å²	15	55 Å²	55	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-39.9	176.2	-64.2	0	0	0	0	111.7	Y696 D697 R703 R704	Y696-S700 VanDerWaalsContact O-CB 3.26Å; Y696-S700 WeakPolarHBondContact O-CB 3.22Å; Y696-S700 PolarHBondContact O-N 2.91Å; Y696-S700 PolarHBondContact O-OG 2.96Å; D697-S700 PolarHBondContact O-N 3.27Å; S700-R703 PolarHBondContact O-N 3.25Å; S700-R704 WeakPolarHBondContact O-CG 3.4Å; S700-R704 PolarHBondContact O-N 3.24Å
701	Y	59.6	Low	68.6	Low	46 Å²	46	60.7 Å²	60.7	18%	0.18	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-50.4	168.4	179.4	-98.7	0	0	0	111.5	K517 Q522 D697 R703 R704 Q705	K517-Y701 PolarHBondContact O-OH 3.14Å; Q522-Y701 HydrophobicContact CG-CE2 4.42Å; Q522-Y701 PolarHBondContact OE1-OH 2.77Å; D697-Y701 WeakPolarHBondContact O-CB 3.15Å; D697-Y701 PolarHBondContact O-N 3.35Å; Y701-R703 PolarHBondContact O-N 3.1Å; Y701-R704 PolarHBondContact O-N 2.83Å; Y701-Q705 VanDerWaalsContact O-CB 3.3Å; Y701-Q705 WeakPolarHBondContact O-CB 3.35Å; Y701-Q705 PolarHBondContact O-N 3.26Å; Y701-Q705 PolarHBondContact OH-NE2 2.82Å
702	K	62.6	Low	66.3	Low	58 Å²	58	61.9 Å²	61.9	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-35.7	177.8	-85.9	-64.7	-159.6	84.4	0	114.1	E649 R698 Q705 S706	E649-K702 WeakPolarHBondContact OE1-CG 3.36Å; E649-K702 IonicContact OE1-NZ 2.66Å; E649-K702 PolarHBondContact OE1-NZ 2.88Å; E649-K702 IonicContact OE2-NZ 3.73Å; E649-K702 PolarHBondContact OE2-NZ 2.88Å; R698-K702 WeakPolarHBondContact O-CB 3.03Å; R698-K702 PolarHBondContact O-N 2.85Å; K702-Q705 WeakPolarHBondContact O-CB 3.35Å; K702-Q705 PolarHBondContact O-N 3.37Å; K702-S706 PolarHBondContact O-N 3.42Å
703	R	65.4	Low	64.5	Low	158 Å²	158	61.9 Å²	61.9	60%	0.596	28%	0.281	S	S	*	.	H	α-helix	trans	-66.9	-50.4	173.7	-80.6	-173.8	-77.1	-172.9	-0.4	111.9	K699 S700 Y701 Q705 S706 T707	K699-R703 PolarHBondContact O-N 2.6Å; S700-R703 PolarHBondContact O-N 3.25Å; Y701-R703 PolarHBondContact O-N 3.1Å; R703-Q705 PolarHBondContact O-N 3.5Å; R703-S706 PolarHBondContact O-N 3.02Å; R703-S706 VanDerWaalsContact O-N 3.12Å; R703-T707 PolarHBondContact O-N 3.15Å; R703-T707 PolarHBondContact O-OG1 3.16Å; R703-T707 VanDerWaalsContact O-OG1 3.05Å
704	R	57.1	Low	63.4	Low	106 Å²	106	63.6 Å²	63.6	40%	0.4	29%	0.29	S	S	.	.	H	α-helix	trans	-55	-36.7	173.7	-71.3	-173.7	-67.1	-121.8	2.6	112.3	S700 Y701	S700-R704 WeakPolarHBondContact O-CG 3.4Å; S700-R704 PolarHBondContact O-N 3.24Å; Y701-R704 PolarHBondContact O-N 2.83Å
705	Q	48.4	Very low	61.8	Low	16 Å²	16	65 Å²	65	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-52.2	175	-177.2	152.5	101.3	0	0	112.3	K516 K517 Y701 K702 R703 V709	K516-Q705 HydrophobicContact CB-CG 4.17Å; K516-Q705 HydrophobicContact CG-CG 4.31Å; K517-Q705 PolarHBondContact O-NE2 3.08Å; Y701-Q705 VanDerWaalsContact O-CB 3.3Å; Y701-Q705 WeakPolarHBondContact O-CB 3.35Å; Y701-Q705 PolarHBondContact O-N 3.26Å; Y701-Q705 PolarHBondContact OH-NE2 2.82Å; K702-Q705 WeakPolarHBondContact O-CB 3.35Å; K702-Q705 PolarHBondContact O-N 3.37Å; R703-Q705 PolarHBondContact O-N 3.5Å; Q705-V709 WeakPolarHBondContact O-CG2 3.38Å; Q705-V709 PolarHBondContact O-N 3.42Å
706	S	51	Low	60.3	Low	61 Å²	61	69.4 Å²	69.4	43%	0.427	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-43.4	179.2	-167.8	0	0	0	0	113.2	K702 R703 A708 V709 Q710	K702-S706 PolarHBondContact O-N 3.42Å; R703-S706 PolarHBondContact O-N 3.02Å; R703-S706 VanDerWaalsContact O-N 3.12Å; S706-A708 VanDerWaalsContact C-N 3.33Å; S706-A708 PolarHBondContact O-N 2.89Å; S706-V709 PolarHBondContact O-N 2.96Å; S706-Q710 WeakPolarHBondContact O-CG 3.38Å; S706-Q710 PolarHBondContact O-N 2.82Å; S706-Q710 VanDerWaalsContact O-N 3.08Å; S706-Q710 PolarHBondContact O-OE1 2.72Å
707	T	55.8	Low	59.4	Low	61 Å²	61	71.2 Å²	71.2	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-33.8	-174.4	-56.4	0	0	0	0	113.1	R703 R711	R703-T707 PolarHBondContact O-N 3.15Å; R703-T707 PolarHBondContact O-OG1 3.16Å; R703-T707 VanDerWaalsContact O-OG1 3.05Å; T707-R711 WeakPolarHBondContact O-CG 3.37Å; T707-R711 PolarHBondContact O-N 2.81Å
708	A	42.3	Very low	59	Low	7 Å²	7	74.2 Å²	74.2	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-81.2	-30	177.3	0	0	0	0	0	113.4	Y505 K517 S706 Q710 R711 H712	Y505-A708 HydrophobicContact CD2-CB 4.17Å; Y505-A708 HydrophobicContact CE2-CB 4.39Å; K517-A708 HydrophobicContact CB-CB 3.82Å; K517-A708 HydrophobicContact CD-CB 3.37Å; K517-A708 HydrophobicContact CG-CB 3.45Å; K517-A708 VanDerWaalsContact CG-CB 3.45Å; S706-A708 VanDerWaalsContact C-N 3.33Å; S706-A708 PolarHBondContact O-N 2.89Å; A708-Q710 VanDerWaalsContact C-N 3.29Å; A708-Q710 PolarHBondContact O-N 3.22Å; A708-R711 PolarHBondContact O-N 2.83Å; A708-H712 WeakPolarHBondContact O-CB 3.28Å; A708-H712 PolarHBondContact O-N 3.09Å
709	V	43.9	Very low	57.5	Low	36 Å²	36	76.6 Å²	76.6	22%	0.218	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-47.4	167.9	178.3	0	0	0	0	109.5	Y505 G515 Q705 S706 H712 D713	Y505-V709 HydrophobicContact CE2-CG2 4.39Å; Y505-V709 WeakPolarHBondContact OH-CA 3.28Å; Y505-V709 VanDerWaalsContact OH-CG2 3.27Å; Y505-V709 WeakPolarHBondContact OH-CG2 3.4Å; G515-V709 WeakPolarHBondContact O-CG2 3.24Å; Q705-V709 WeakPolarHBondContact O-CG2 3.38Å; Q705-V709 PolarHBondContact O-N 3.42Å; S706-V709 PolarHBondContact O-N 2.96Å; V709-H712 PolarHBondContact O-N 3.33Å; V709-D713 PolarHBondContact O-N 3.08Å
710	Q	61.5	Low	56.4	Low	107 Å²	107	76.6 Å²	76.6	50%	0.5	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-48.6	177.3	-71.2	168.4	-40.8	0	0	112.5	S706 A708 H712 D713 E714	S706-Q710 WeakPolarHBondContact O-CG 3.38Å; S706-Q710 PolarHBondContact O-N 2.82Å; S706-Q710 VanDerWaalsContact O-N 3.08Å; S706-Q710 PolarHBondContact O-OE1 2.72Å; A708-Q710 VanDerWaalsContact C-N 3.29Å; A708-Q710 PolarHBondContact O-N 3.22Å; Q710-H712 VanDerWaalsContact C-N 3.32Å; Q710-H712 PolarHBondContact O-N 3.41Å; Q710-D713 PolarHBondContact O-N 2.98Å; Q710-E714 WeakPolarHBondContact O-CG 3.47Å; Q710-E714 PolarHBondContact O-N 2.94Å
711	R	51	Low	56	Low	141 Å²	141	82.9 Å²	82.9	53%	0.532	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-39.2	176.5	-73.8	173	-179.1	-175.9	-0.5	112.9	T707 A708 N715	T707-R711 WeakPolarHBondContact O-CG 3.37Å; T707-R711 PolarHBondContact O-N 2.81Å; A708-R711 PolarHBondContact O-N 2.83Å; R711-N715 WeakPolarHBondContact O-CB 3.38Å; R711-N715 VanDerWaalsContact O-CG 3.32Å; R711-N715 PolarHBondContact O-N 3.24Å
712	H	47.7	Very low	55.7	Low	26 Å²	26	87.1 Å²	87.1	12%	0.12	41%	0.406	C	S	.	.	H	α-helix	trans	-64.3	-46.6	173.9	163.6	-84.2	0	0	0	111.6	Y505 M506 A708 V709 Q710 E714 N715 K716	Y505-H712 HydrophobicContact CD1-CB 3.6Å; Y505-H712 AromaticContact CD1-CD2 3.86Å; Y505-H712 AromaticContact CD1-CG 3.94Å; Y505-H712 HydrophobicContact CE1-CB 3.24Å; Y505-H712 AromaticContact CE1-CD2 3.63Å; Y505-H712 AromaticContact CE1-CG 3.42Å; Y505-H712 VanDerWaalsContact CE1-CG 3.42Å; M506-H712 VanDerWaalsContact SD-CD2 3.5Å; A708-H712 WeakPolarHBondContact O-CB 3.28Å; A708-H712 PolarHBondContact O-N 3.09Å; V709-H712 PolarHBondContact O-N 3.33Å; Q710-H712 VanDerWaalsContact C-N 3.32Å; Q710-H712 PolarHBondContact O-N 3.41Å; H712-E714 VanDerWaalsContact C-N 3.27Å; H712-E714 PolarHBondContact O-N 3.44Å; H712-N715 CarbonylContact O-C 3.57Å; H712-N715 PolarHBondContact O-N 3.35Å; H712-N715 VanDerWaalsContact O-N 3.08Å; H712-K716 WeakPolarHBondContact O-CB 3.26Å; H712-K716 PolarHBondContact O-N 2.96Å
713	D	53.8	Low	54.9	Low	71 Å²	71	90.2 Å²	90.2	38%	0.38	43%	0.425	S	S	.	.	H	α-helix	trans	-68	-31.1	-178.7	-68.9	-9.1	0	0	0	111.6	V709 Q710 K717	V709-D713 PolarHBondContact O-N 3.08Å; Q710-D713 PolarHBondContact O-N 2.98Å; D713-K717 WeakPolarHBondContact O-CB 3.36Å; D713-K717 WeakPolarHBondContact O-CD 3.43Å; D713-K717 WeakPolarHBondContact O-CG 3.16Å; D713-K717 PolarHBondContact O-N 2.84Å
714	E	64.9	Low	54.1	Low	101 Å²	101	90.3 Å²	90.3	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-46.5	166	-73.5	173.1	-156	0	0	112.5	Q710 H712 K717 K718	Q710-E714 WeakPolarHBondContact O-CG 3.47Å; Q710-E714 PolarHBondContact O-N 2.94Å; H712-E714 VanDerWaalsContact C-N 3.27Å; H712-E714 PolarHBondContact O-N 3.44Å; E714-K717 WeakPolarHBondContact O-CB 3.43Å; E714-K717 PolarHBondContact O-N 2.94Å; E714-K718 VanDerWaalsContact O-CG 3.29Å; E714-K718 WeakPolarHBondContact O-CG 3.36Å; E714-K718 PolarHBondContact O-N 3Å; E714-K718 IonicContact OE2-NZ 3.72Å
715	N	54	Low	53.5	Low	32 Å²	32	90.9 Å²	90.9	17%	0.171	44%	0.444	C	S	.	.	H	α-helix	trans	-71.7	-35.6	-178.2	-74.9	1.8	0	0	0	112.4	E502 R711 H712 K718 M719	E502-N715 WeakPolarHBondContact OE1-CB 3.38Å; E502-N715 PolarHBondContact OE1-ND2 2.91Å; E502-N715 PolarHBondContact OE2-ND2 3.23Å; R711-N715 WeakPolarHBondContact O-CB 3.38Å; R711-N715 VanDerWaalsContact O-CG 3.32Å; R711-N715 PolarHBondContact O-N 3.24Å; H712-N715 CarbonylContact O-C 3.57Å; H712-N715 PolarHBondContact O-N 3.35Å; H712-N715 VanDerWaalsContact O-N 3.08Å; N715-K718 PolarHBondContact O-N 3.42Å; N715-K718 PolarHBondContact OD1-NZ 2.83Å; N715-M719 WeakPolarHBondContact O-CB 3.23Å; N715-M719 PolarHBondContact O-N 2.81Å
716	K	57.6	Low	52.8	Low	108 Å²	108	95.7 Å²	95.7	47%	0.47	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-41.7	169	-174.6	172.4	-179.4	174.4	0	111.2	H712 M719 N720	H712-K716 WeakPolarHBondContact O-CB 3.26Å; H712-K716 PolarHBondContact O-N 2.96Å; K716-M719 PolarHBondContact O-N 3.19Å; K716-N720 WeakPolarHBondContact O-CB 3.31Å; K716-N720 PolarHBondContact O-N 2.81Å; K716-N720 PolarHBondContact O-OD1 2.77Å
717	K	67.8	Low	52.3	Low	153 Å²	153	98.3 Å²	98.3	67%	0.665	49%	0.49	S	S	*	.	H	α-helix	trans	-63.8	-40.3	171.9	-75.2	167.2	-174.1	176.5	0	112.4	D713 E714 K721	D713-K717 WeakPolarHBondContact O-CB 3.36Å; D713-K717 WeakPolarHBondContact O-CD 3.43Å; D713-K717 WeakPolarHBondContact O-CG 3.16Å; D713-K717 PolarHBondContact O-N 2.84Å; E714-K717 WeakPolarHBondContact O-CB 3.43Å; E714-K717 PolarHBondContact O-N 2.94Å; K717-K721 VanDerWaalsContact O-CB 3.3Å; K717-K721 WeakPolarHBondContact O-CB 3.3Å; K717-K721 PolarHBondContact O-N 2.85Å
718	K	67.8	Low	51.1	Low	116 Å²	116	104.8 Å²	104.8	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-45.8	175.3	-69.5	163.9	-159.3	156.9	0	111.7	E714 N715 K721 L722	E714-K718 VanDerWaalsContact O-CG 3.29Å; E714-K718 WeakPolarHBondContact O-CG 3.36Å; E714-K718 PolarHBondContact O-N 3Å; E714-K718 IonicContact OE2-NZ 3.72Å; N715-K718 PolarHBondContact O-N 3.42Å; N715-K718 PolarHBondContact OD1-NZ 2.83Å; K718-K721 PolarHBondContact O-N 3.24Å; K718-L722 PolarHBondContact O-N 3.04Å
719	M	47.4	Very low	50.9	Low	105 Å²	105	110.5 Å²	110.5	52%	0.517	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-46.5	178.1	-175.3	172.2	64	0	0	111.6	N715 K716 K721 L722 L723	N715-M719 WeakPolarHBondContact O-CB 3.23Å; N715-M719 PolarHBondContact O-N 2.81Å; K716-M719 PolarHBondContact O-N 3.19Å; M719-K721 VanDerWaalsContact C-N 3.28Å; M719-K721 PolarHBondContact O-N 3.35Å; M719-L722 PolarHBondContact O-N 3.12Å; M719-L722 VanDerWaalsContact O-N 3.15Å; M719-L723 HydrophobicContact CG-CD1 4.16Å; M719-L723 PolarHBondContact O-N 3.21Å
720	N	55.2	Low	50.6	Low	85 Å²	85	114.7 Å²	114.7	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-61.6	-35.5	173.3	-75.3	25.4	0	0	0	112.1	K716 M724	K716-N720 WeakPolarHBondContact O-CB 3.31Å; K716-N720 PolarHBondContact O-N 2.81Å; K716-N720 PolarHBondContact O-OD1 2.77Å; N720-M724 WeakPolarHBondContact O-CG 3.47Å; N720-M724 PolarHBondContact O-N 2.99Å
721	K	61.4	Low	49.1	Very low	147 Å²	147	117.3 Å²	117.3	64%	0.639	60%	0.596	S	S	*	*	H	α-helix	trans	-70.4	-32.3	175.1	-172	171.6	-177.7	178.5	0	112.5	K717 K718 M719 L725	K717-K721 VanDerWaalsContact O-CB 3.3Å; K717-K721 WeakPolarHBondContact O-CB 3.3Å; K717-K721 PolarHBondContact O-N 2.85Å; K718-K721 PolarHBondContact O-N 3.24Å; M719-K721 VanDerWaalsContact C-N 3.28Å; M719-K721 PolarHBondContact O-N 3.35Å; K721-L725 HydrophobicContact CG-CD1 4.06Å; K721-L725 WeakPolarHBondContact O-CD1 3.36Å; K721-L725 WeakPolarHBondContact O-CG 3.45Å
722	L	52.5	Low	48.3	Very low	134 Å²	134	115 Å²	115	70%	0.702	61%	0.606	S	S	*	*	H	α-helix	trans	-72.7	-40.2	177	-152.1	75	0	0	0	111.7	K718 M719 M724 L725	K718-L722 PolarHBondContact O-N 3.04Å; M719-L722 PolarHBondContact O-N 3.12Å; M719-L722 VanDerWaalsContact O-N 3.15Å; L722-M724 PolarHBondContact O-N 2.77Å; L722-L725 PolarHBondContact O-N 3.47Å
723	L	46.9	Very low	47.6	Very low	123 Å²	123	118.4 Å²	118.4	64%	0.644	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-10.6	175.1	-78.5	162.6	0	0	0	114.4	M719	M719-L723 HydrophobicContact CG-CD1 4.16Å; M719-L723 PolarHBondContact O-N 3.21Å
724	M	48.3	Very low	46.8	Very low	160 Å²	160	122 Å²	122	79%	0.788	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	12.2	177	-65.3	-73.7	167.1	0	0	112.3	N720 L722	N720-M724 WeakPolarHBondContact O-CG 3.47Å; N720-M724 PolarHBondContact O-N 2.99Å; L722-M724 PolarHBondContact O-N 2.77Å
725	L	45	Very low	45.4	Very low	118 Å²	118	124.5 Å²	124.5	62%	0.618	67%	0.668	S	S	*	*			trans	-133.7	48.1	-175.4	-71.1	176	0	0	0	112.5	K721 L722	K721-L725 HydrophobicContact CG-CD1 4.06Å; K721-L725 WeakPolarHBondContact O-CD1 3.36Å; K721-L725 WeakPolarHBondContact O-CG 3.45Å; L722-L725 PolarHBondContact O-N 3.47Å
726	T	32.4	Very low	44.5	Very low	117 Å²	117	132 Å²	132	72%	0.718	70%	0.702	S	S	*	*			trans	-116.1	110.1	163.2	48.8	0	0	0	0	108.8
727	P	40.7	Very low	43.3	Very low	116 Å²	116	136.2 Å²	136.2	75%	0.753	72%	0.715	S	S	*	*			trans	-73	145.2	-179.9	30.5	-34.4	0	0	0	111.4
728	E	31.8	Very low	41.6	Very low	198 Å²	198	135.1 Å²	135.1	93%	0.925	72%	0.724	S	S	*	*			trans	-69.3	139.2	168.8	-59.9	-175.2	156.9	0	0	110.3
729	V	37.6	Very low	40	Very low	127 Å²	127	136.1 Å²	136.1	77%	0.77	73%	0.73	S	S	*	*			trans	-136.5	135.5	172.1	-177.1	0	0	0	0	108
730	P	37.3	Very low	39.2	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	74%	0.741	S	S	*	*			trans	-83.4	169	-162.7	-13.7	32	0	0	0	115.7
731	D	29.8	Very low	38.3	Very low	163 Å²	163	142 Å²	142	87%	0.872	76%	0.762	S	S	*	*			trans	-65.8	133.6	175	-175.3	23.1	0	0	0	113.2
732	A	34.8	Very low	36.8	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	76%	0.76	S	S	*	*			trans	-163.9	133.5	165.8	0	0	0	0	0	110.7
733	S	32.7	Very low	35.9	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	77%	0.765	S	S	*	*			trans	-80.7	146.4	170.5	61.1	0	0	0	0	112
734	D	36.8	Very low	35.3	Very low	146 Å²	146	143.5 Å²	143.5	78%	0.781	77%	0.771	S	S	*	*				160.6	170.7	124.1	-78.3	-9.6	0	0	0	112.9
735	L	35.3	Very low	34.5	Very low	153 Å²	153	141.4 Å²	141.4	80%	0.801	77%	0.773	S	S	*	*			trans	74.7	79.2	164.5	-65.2	166.1	0	0	0	120.2
736	E	36.3	Very low	33.9	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	79%	0.787	S	S	*	*				57.9	163.4	119.9	-63.4	-159.9	129.9	0	0	123.9
737	R	30.7	Very low	33.8	Very low	197 Å²	197	146.7 Å²	146.7	74%	0.743	79%	0.788	S	S	*	*			trans	-137.3	133	-167.2	176.6	-142.7	-78.2	-141.3	-4.7	111.7
738	P	32.7	Very low	33.5	Very low	131 Å²	131	149.5 Å²	149.5	85%	0.851	79%	0.793	S	S	*	*			trans	-84.6	148.3	158.2	-14.1	31.5	0	0	0	113.7
739	Q	33.9	Very low	33.5	Very low	136 Å²	136	144.8 Å²	144.8	64%	0.636	78%	0.781	S	S	*	*			trans	-123	160.9	-178.4	-93.5	-151.3	37	0	0	113.4
740	L	31.6	Very low	33	Very low	143 Å²	143	144.4 Å²	144.4	75%	0.749	78%	0.783	S	S	*	*			trans	69	137.7	154.1	-72.1	158.1	0	0	0	120.1
741	I	35.5	Very low	32.6	Very low	171 Å²	171	146.6 Å²	146.6	88%	0.877	78%	0.783	S	S	*	*				-157.3	144.4	119.5	-96.7	153.2	0	0	0	108
742	D	29.4	Very low	32.9	Very low	112 Å²	112	144.1 Å²	144.1	60%	0.599	78%	0.778	S	S	*	*			trans	-110.8	151.2	-178.7	165.6	39.6	0	0	0	111.1	R744	D742-R744 PolarHBondContact OD1-N 3.28Å
743	S	35.3	Very low	32.7	Very low	117 Å²	117	148.2 Å²	148.2	82%	0.818	78%	0.782	S	S	*	*			trans	-165.8	72.9	161.1	-81.9	0	0	0	0	115.1
744	R	32.6	Very low	32.8	Very low	206 Å²	206	150.7 Å²	150.7	78%	0.777	79%	0.787	S	S	*	*			trans	29.6	126.5	133	-60.6	178.3	170.7	-163	-6.4	122.8	D742	D742-R744 PolarHBondContact OD1-N 3.28Å
745	S	31.5	Very low	32.6	Very low	117 Å²	117	150.8 Å²	150.8	82%	0.818	78%	0.783	S	S	*	*			trans	66.2	150.4	140.1	70.7	0	0	0	0	119.3
746	R	33.4	Very low	32.6	Very low	241 Å²	241	150.2 Å²	150.2	91%	0.909	78%	0.78	S	S	*	*			cis	-157.7	162.6	36.1	-166.7	179.3	-170	-177	3.5	111.7
747	S	30.3	Very low	32.3	Very low	105 Å²	105	146 Å²	146	73%	0.734	77%	0.771	S	S	*	*			trans	-93.4	162.9	-179.2	52	0	0	0	0	115
748	M	34.9	Very low	32.3	Very low	175 Å²	175	142.1 Å²	142.1	86%	0.862	78%	0.775	S	S	*	*			trans	-176.2	171.6	138.7	-90.5	-98.2	70.2	0	0	110.7
749	S	31.4	Very low	32.2	Very low	98 Å²	98	142 Å²	142	69%	0.685	77%	0.771	S	S	*	*			trans	-141.6	159.6	-159.3	54.1	0	0	0	0	114.2
750	C	26.9	Very low	31.8	Very low	119 Å²	119	140.8 Å²	140.8	80%	0.804	78%	0.775	S	S	*	*			trans	-168.3	169.3	138	67.7	0	0	0	0	112.2
751	E	28	Very low	31.8	Very low	169 Å²	169	140.2 Å²	140.2	79%	0.79	78%	0.777	S	S	*	*			trans	-108.2	159.2	-171.1	-41.1	95.3	111.5	0	0	115.9
752	S	36.8	Very low	31.6	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	77%	0.77	S	S	*	*			trans	-171.6	110.4	139.3	52	0	0	0	0	108.5
753	Q	31.3	Very low	31.5	Very low	178 Å²	178	138 Å²	138	83%	0.832	78%	0.778	S	S	*	*				87.4	159.6	72.4	-83	-167.6	-23.9	0	0	114.7
754	D	35.2	Very low	31.3	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	77%	0.771	S	S	*	*			trans	73.9	136.1	179.5	-60.9	-8.2	0	0	0	118.4
755	E	31.8	Very low	31.1	Very low	147 Å²	147	135.6 Å²	135.6	69%	0.687	77%	0.771	S	S	*	*			cis	-171	163.2	-23.6	-127.6	-75.1	74.8	0	0	109.6
756	L	34.9	Very low	31.2	Very low	142 Å²	142	136.3 Å²	136.3	74%	0.743	77%	0.765	S	S	*	*			trans	66.6	145.1	163.4	-58.9	165	0	0	0	118.6
757	S	30.9	Very low	31	Very low	100 Å²	100	127.6 Å²	127.6	70%	0.699	75%	0.751	S	S	*	*			cis	-165.1	140.9	-18.4	-178.8	0	0	0	0	109.6
758	S	29.3	Very low	31	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	76%	0.758	S	S	*	*			trans	-137	119.5	169.8	62.7	0	0	0	0	111
759	V	30.6	Very low	30.8	Very low	128 Å²	128	131.1 Å²	131.1	78%	0.776	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-88	131	-168.6	-176.1	0	0	0	0	111.7
760	P	27.3	Very low	30.6	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.5	144.2	173.8	32.2	-34.6	0	0	0	111.9
761	V	31	Very low	31	Very low	130 Å²	130	136 Å²	136	79%	0.788	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-95.2	125.8	169.7	-177.9	0	0	0	0	108.9
762	T	30.5	Very low	31.1	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75.1	157.3	-178.1	50.4	0	0	0	0	112.5
763	P	28.4	Very low	30.8	Very low	119 Å²	119	136.9 Å²	136.9	77%	0.773	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-58.1	152.3	168.7	-21	33.4	0	0	0	112.2
764	L	31.4	Very low	30.7	Very low	129 Å²	129	131.7 Å²	131.7	68%	0.675	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-87	117	162.5	-92.3	157.3	0	0	0	107.8
765	D	27.5	Very low	30.4	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-84.6	116.2	174.1	177.8	17.4	0	0	0	109.6	G767	D765-G767 PolarHBondContact OD1-N 3.07Å
766	N	33.6	Very low	30.4	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	78%	0.775	S	S	*	*			trans	-118.9	80.3	167.1	-77.4	-36.4	0	0	0	107.3	E768	N766-E768 PolarHBondContact O-N 3.32Å; N766-E768 VanDerWaalsContact O-N 3.09Å
767	G	30.1	Very low	30.2	Very low	59 Å²	59	133.7 Å²	133.7	61%	0.608	78%	0.779	S	S	*	*			trans	-55.5	114.6	-177.8	0	0	0	0	0	113.2	D765	D765-G767 PolarHBondContact OD1-N 3.07Å
768	E	28.4	Very low	30.3	Very low	191 Å²	191	135.5 Å²	135.5	89%	0.893	79%	0.786	S	S	*	*			trans	-68.2	133.9	163	-65	-177	127.4	0	0	109.1	N766	N766-E768 PolarHBondContact O-N 3.32Å; N766-E768 VanDerWaalsContact O-N 3.09Å
769	I	31.4	Very low	30.6	Very low	162 Å²	162	135.2 Å²	135.2	83%	0.831	78%	0.78	S	S	*	*			trans	-124	92.8	167.8	-56.2	177.7	0	0	0	106.4
770	D	28.2	Very low	30.7	Very low	135 Å²	135	141 Å²	141	72%	0.722	79%	0.787	S	S	*	*			trans	-79.1	123.4	153.3	176.1	25.2	0	0	0	107.7
771	E	33.6	Very low	30.9	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.864	80%	0.797	S	S	*	*			trans	-155.1	113.8	140.8	-126.2	174.4	-155	0	0	110.1
772	T	31	Very low	30.9	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	80%	0.795	S	S	*	*			trans	-85.6	116.6	173.6	-64.2	0	0	0	0	109.9
773	L	31.3	Very low	31	Very low	177 Å²	177	141.4 Å²	141.4	93%	0.927	80%	0.802	S	S	*	*			trans	176.9	150.6	151.1	-101.5	160.3	0	0	0	114.4
774	G	28.7	Very low	31.1	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	80%	0.803	S	S	*	*			trans	96.4	97.4	138.4	0	0	0	0	0	120.2
775	F	29.3	Very low	31.1	Very low	224 Å²	224	142.9 Å²	142.9	98%	0.982	81%	0.812	S	S	*	*			trans	-42.6	146.9	164	-79.2	-110.7	0	0	0	116.5
776	G	30.6	Very low	31.5	Very low	78 Å²	78	142.5 Å²	142.5	80%	0.804	80%	0.804	S	S	*	*			trans	171	90.3	161.1	0	0	0	0	0	116.1
777	E	31.7	Very low	31.4	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	80%	0.798	S	S	*	*			trans	-86.3	116.8	173.7	-176.4	-172.2	170.1	0	0	111.9
778	V	32.1	Very low	31.7	Very low	139 Å²	139	143 Å²	143	84%	0.842	80%	0.804	S	S	*	*			trans	-143.5	132.6	157	-174.9	0	0	0	0	109.8
779	T	36	Very low	32.3	Very low	110 Å²	110	138 Å²	138	68%	0.675	79%	0.789	S	S	*	*			trans	-85.2	141	178.8	51.3	0	0	0	0	112.9
780	R	32	Very low	33	Very low	248 Å²	248	135.1 Å²	135.1	94%	0.936	77%	0.773	S	S	*	*			trans	-169.6	152.8	143.7	-108.7	156.5	-174.3	-175.7	1.1	114
781	N	31.3	Very low	33.9	Very low	173 Å²	173	136.4 Å²	136.4	93%	0.925	78%	0.776	S	S	*	*			trans	-72.7	134.9	-173.9	-60.3	-30.2	0	0	0	112.5
782	G	31	Very low	34.8	Very low	72 Å²	72	133 Å²	133	74%	0.742	76%	0.763	S	S	*	*			trans	-156.7	136.6	172.5	0	0	0	0	0	111.9	G784	G782-G784 PolarHBondContact O-N 3.45Å
783	S	34	Very low	35.9	Very low	124 Å²	124	134.6 Å²	134.6	87%	0.867	76%	0.759	S	S	*	*			trans	-80.2	79.2	-173.8	42	0	0	0	0	112.9	K785	S783-K785 PolarHBondContact O-N 3.46Å
784	G	30.3	Very low	37.4	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-61.2	117.2	178.2	0	0	0	0	0	113.6	G782	G782-G784 PolarHBondContact O-N 3.45Å
785	K	31.5	Very low	38.8	Very low	201 Å²	201	129.8 Å²	129.8	87%	0.874	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-74.2	125.5	167.9	-64.9	171.8	-177.2	170.2	0	108.8	S783	S783-K785 PolarHBondContact O-N 3.46Å
786	K	36.3	Very low	41	Very low	135 Å²	135	124.5 Å²	124.5	59%	0.587	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-56.1	146.3	170.4	-89.4	-166.4	172	-170.2	0	111	E790	K786-E790 VanDerWaalsContact CD-OE2 3.27Å; K786-E790 WeakPolarHBondContact CD-OE2 3.49Å; K786-E790 VanDerWaalsContact NZ-CD 3.26Å; K786-E790 IonicContact NZ-OE1 2.68Å; K786-E790 PolarHBondContact NZ-OE1 3.32Å; K786-E790 IonicContact NZ-OE2 3.04Å; K786-E790 PolarHBondContact NZ-OE2 3.11Å
787	P	30.5	Very low	42.9	Very low	90 Å²	90	122.3 Å²	122.3	58%	0.584	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-69.1	158.9	-178.6	28.7	-35.4	0	0	0	112.9	S789	P787-S789 PolarHBondContact O-N 2.91Å; P787-S789 VanDerWaalsContact O-N 3.09Å
788	P	37.4	Very low	44.6	Very low	112 Å²	112	116.7 Å²	116.7	73%	0.727	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-68.5	-9.3	-169.4	-22.6	35.2	0	0	0	116.8	E790 M791	P788-E790 VanDerWaalsContact C-N 3.32Å; P788-E790 PolarHBondContact O-N 3Å; P788-M791 PolarHBondContact O-N 3.27Å
789	S	40.8	Very low	46.4	Very low	84 Å²	84	114.1 Å²	114.1	59%	0.587	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-63.5	-30.5	-171.2	50.9	0	0	0	0	114.2	P787 M791 I792	P787-S789 PolarHBondContact O-N 2.91Å; P787-S789 VanDerWaalsContact O-N 3.09Å; S789-M791 PolarHBondContact O-N 3.34Å; S789-I792 PolarHBondContact O-N 3.15Å
790	E	45.7	Very low	48.1	Very low	103 Å²	103	114.8 Å²	114.8	48%	0.481	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-63.6	-12.5	-179	-99.4	179.7	-175.2	0	0	114.8	K786 P788 S841	K786-E790 VanDerWaalsContact CD-OE2 3.27Å; K786-E790 WeakPolarHBondContact CD-OE2 3.49Å; K786-E790 VanDerWaalsContact NZ-CD 3.26Å; K786-E790 IonicContact NZ-OE1 2.68Å; K786-E790 PolarHBondContact NZ-OE1 3.32Å; K786-E790 IonicContact NZ-OE2 3.04Å; K786-E790 PolarHBondContact NZ-OE2 3.11Å; P788-E790 VanDerWaalsContact C-N 3.32Å; P788-E790 PolarHBondContact O-N 3Å; E790-S841 PolarHBondContact O-OG 3.26Å
791	M	47.3	Very low	50.3	Low	162 Å²	162	104.4 Å²	104.4	80%	0.798	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-106.8	-5.8	-178	-68	-168.2	67.1	0	0	115.1	P788 S789	P788-M791 PolarHBondContact O-N 3.27Å; S789-M791 PolarHBondContact O-N 3.34Å
792	I	51	Low	52.8	Low	112 Å²	112	96.1 Å²	96.1	57%	0.574	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-80.9	134.6	-174.6	-57.7	178.8	0	0	0	110.7	S789 K842	S789-I792 PolarHBondContact O-N 3.15Å; I792-K842 VanDerWaalsContact O-CD 3.29Å; I792-K842 WeakPolarHBondContact O-CD 3.4Å; I792-K842 PolarHBondContact O-NZ 3.4Å
793	K	54.3	Low	55.2	Low	156 Å²	156	94.6 Å²	94.6	68%	0.678	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-73.6	133.3	171.4	-68.2	177.3	-177	170.8	0	108.9
794	P	62.8	Low	57.8	Low	26 Å²	26	88.9 Å²	88.9	17%	0.169	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-66.6	146	179.5	29.5	-36.2	0	0	0	111.4	W796 D825 C826	P794-W796 PolarHBondContact O-N 2.88Å; P794-D825 WeakPolarHBondContact CB-O 3.44Å; P794-D825 VanDerWaalsContact CG-O 3.32Å; P794-D825 WeakPolarHBondContact CG-O 3.2Å; P794-C826 VanDerWaalsContact CB-C 3.44Å
795	V	59.1	Low	60.7	Low	118 Å²	118	85.1 Å²	85.1	72%	0.715	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-65.3	125.2	161	-178.3	0	0	0	0	107.4
796	W	75.6	Confident	63.5	Low	114 Å²	114	75.6 Å²	75.6	43%	0.432	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-84	134	178.2	-75.2	18.7	0	0	0	110.1	P794 H822 R824	P794-W796 PolarHBondContact O-N 2.88Å; W796-H822 HydrophobicContact CD2-CB 3.77Å; W796-H822 AromaticContact CD2-CG 3.79Å; W796-H822 HydrophobicContact CE3-CB 3.73Å; W796-H822 AromaticContact CE3-CD2 3.83Å; W796-H822 AromaticContact CE3-CG 3.42Å; W796-H822 VanDerWaalsContact CE3-CG 3.42Å; W796-H822 AromaticContact CE3-ND1 3.64Å; W796-H822 HydrophobicContact CG-CB 4.33Å; W796-H822 HydrophobicContact CH2-CB 4.34Å; W796-H822 HydrophobicContact CZ2-CB 4.36Å; W796-H822 HydrophobicContact CZ3-CB 4.03Å; W796-H822 AromaticContact CZ3-CG 3.94Å; W796-H822 AromaticContact CZ3-ND1 3.88Å; W796-R824 HydrophobicContact CZ2-CG 4.28Å
797	L	69.9	Low	66.2	Low	32 Å²	32	69.1 Å²	69.1	17%	0.168	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.3	127.8	172.9	-69.4	-177.5	0	0	0	109.9	I801 L806 H822 G827 W828 L957	L797-I801 HydrophobicContact CB-CG2 4.05Å; L797-I801 HydrophobicContact CD2-CD1 4.45Å; L797-L806 HydrophobicContact CD1-CD1 3.36Å; L797-H822 PolarHBondContact O-CD2 2.55Å; L797-H822 PolarHBondContact O-NE2 2.92Å; L797-G827 PolarHBondContact N-O 3Å; L797-G827 VanDerWaalsContact N-O 3.08Å; L797-W828 HydrophobicContact CD1-CG 4.38Å; L797-L957 HydrophobicContact CD1-CD1 4.41Å
798	P	68	Low	68.9	Low	62 Å²	62	70 Å²	70	40%	0.403	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.6	141.4	177.9	-27.6	35.8	0	0	0	112.4	N800 I801	P798-N800 WeakPolarHBondContact CB-OD1 3.26Å; P798-N800 PolarHBondContact O-N 2.74Å; P798-N800 VanDerWaalsContact O-N 3.09Å; P798-I801 HydrophobicContact CB-CB 4.49Å; P798-I801 WeakPolarHBondContact O-CB 3.44Å; P798-I801 VanDerWaalsContact O-CG2 3.3Å; P798-I801 WeakPolarHBondContact O-CG2 3.36Å; P798-I801 PolarHBondContact O-N 2.83Å
799	D	70.3	Confident	71.2	Confident	84 Å²	84	68 Å²	68	45%	0.449	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-56.7	-30.8	-178.1	-85.2	-40.7	0	0	0	112.7	R820 H822	D799-R820 WeakPolarHBondContact O-CD 3.05Å; D799-R820 VanDerWaalsContact O-CZ 3.31Å; D799-R820 PolarHBondContact O-NE 3.36Å; D799-R820 PolarHBondContact O-NH2 3.21Å; D799-R820 WeakPolarHBondContact OD1-CB 3.38Å; D799-R820 VanDerWaalsContact OD1-CD 3.23Å; D799-R820 WeakPolarHBondContact OD1-CD 3.43Å; D799-H822 IonicContact OD1-CE1 3.59Å; D799-H822 PolarHBondContact OD1-CE1 3.47Å; D799-H822 IonicContact OD1-NE2 3.67Å
800	N	72.2	Confident	73.5	Confident	124 Å²	124	64.1 Å²	64.1	66%	0.663	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-84.1	-2.9	179.2	65.5	-30.9	0	0	0	114.8	P798 S802 A955	P798-N800 WeakPolarHBondContact CB-OD1 3.26Å; P798-N800 PolarHBondContact O-N 2.74Å; P798-N800 VanDerWaalsContact O-N 3.09Å; N800-S802 VanDerWaalsContact C-N 3.29Å; N800-S802 PolarHBondContact O-N 3.25Å; N800-A955 WeakPolarHBondContact O-CB 3.32Å
801	I	77.5	Confident	75.4	Confident	30 Å²	30	62.7 Å²	62.7	15%	0.154	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-74.3	-20.7	-178.9	-144.3	178.9	0	0	0	112.7	L797 P798 A955 E956 L957	L797-I801 HydrophobicContact CB-CG2 4.05Å; L797-I801 HydrophobicContact CD2-CD1 4.45Å; P798-I801 HydrophobicContact CB-CB 4.49Å; P798-I801 WeakPolarHBondContact O-CB 3.44Å; P798-I801 VanDerWaalsContact O-CG2 3.3Å; P798-I801 WeakPolarHBondContact O-CG2 3.36Å; P798-I801 PolarHBondContact O-N 2.83Å; I801-A955 WeakPolarHBondContact O-CB 3.29Å; I801-E956 HydrophobicContact CG1-CB 4.12Å; I801-E956 PolarHBondContact O-N 3.35Å; I801-L957 HydrophobicContact CD1-CD1 4.18Å; I801-L957 HydrophobicContact CD1-CD2 4.26Å; I801-L957 HydrophobicContact CD1-CG 4.25Å; I801-L957 HydrophobicContact CG1-CD1 4.33Å; I801-L957 HydrophobicContact CG1-CD2 4.25Å; I801-L957 HydrophobicContact CG1-CG 4Å; I801-L957 HydrophobicContact CG2-CD1 3.9Å; I801-L957 HydrophobicContact CG2-CG 4.17Å; I801-L957 PolarHBondContact O-N 3.27Å
802	S	82.9	Confident	77.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.			trans	-149.2	151	168.6	-174.2	0	0	0	0	113	N800 E804 R820 D958	N800-S802 VanDerWaalsContact C-N 3.29Å; N800-S802 PolarHBondContact O-N 3.25Å; S802-E804 PolarHBondContact OG-N 2.91Å; S802-E804 VanDerWaalsContact OG-N 3.09Å; S802-E804 PolarHBondContact OG-O 3.19Å; S802-R820 PolarHBondContact O-NE 2.83Å; S802-R820 PolarHBondContact O-NH2 3.05Å; S802-D958 VanDerWaalsContact CA-OD1 3.26Å; S802-D958 WeakPolarHBondContact CA-OD1 3.47Å; S802-D958 WeakPolarHBondContact CB-OD1 3.11Å; S802-D958 PolarHBondContact OG-OD1 3.1Å
803	N	83	Confident	78.8	Confident	39 Å²	39	51.7 Å²	51.7	21%	0.209	29%	0.287	C	S	.	.	S	Bend	trans	-95.9	4.2	170.7	-60.9	-61.1	0	0	0	113.3	E813 F814 R820 K954 A955 D958	N803-E813 CarbonylContact O-C 3.57Å; N803-E813 VanDerWaalsContact O-CA 3.31Å; N803-E813 WeakPolarHBondContact O-CA 3.47Å; N803-F814 PolarHBondContact O-N 2.98Å; N803-R820 PolarHBondContact OD1-NH2 3.46Å; N803-R820 VanDerWaalsContact OD1-NH2 3.09Å; N803-K954 WeakPolarHBondContact ND2-CB 3.33Å; N803-A955 VanDerWaalsContact ND2-CB 3.27Å; N803-A955 WeakPolarHBondContact ND2-CB 3.42Å; N803-A955 PolarHBondContact ND2-N 3.15Å; N803-D958 PolarHBondContact N-OD1 3.24Å; N803-D958 PolarHBondContact ND2-OD2 3Å
804	E	88.6	Confident	80	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.019	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-141.1	159.2	177.7	56.3	173.4	-161.3	0	0	113.5	S802 L806 T812 E813 F814 R911 S959	S802-E804 PolarHBondContact OG-N 2.91Å; S802-E804 VanDerWaalsContact OG-N 3.09Å; S802-E804 PolarHBondContact OG-O 3.19Å; E804-L806 PolarHBondContact O-N 3.45Å; E804-T812 WeakPolarHBondContact CA-O 3.18Å; E804-E813 HydrophobicContact CB-CG 4.12Å; E804-F814 WeakPolarHBondContact O-CE2 3.49Å; E804-R911 IonicContact OE1-CZ 2.77Å; E804-R911 VanDerWaalsContact OE1-CZ 3.31Å; E804-R911 IonicContact OE1-NH1 3.48Å; E804-R911 PolarHBondContact OE1-NH1 3.4Å; E804-R911 IonicContact OE1-NH2 3.46Å; E804-R911 PolarHBondContact OE1-NH2 3.2Å; E804-S959 VanDerWaalsContact OE1-CB 3.28Å; E804-S959 WeakPolarHBondContact OE1-CB 3.5Å; E804-S959 PolarHBondContact OE1-N 3Å; E804-S959 PolarHBondContact OE1-OG 2.8Å
805	C	90.9	Very high	80.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.			trans	-57.1	119.6	175.6	-175.8	0	0	0	0	110	M807 C810 T812 F814 C831 C834 R911	C805-M807 PolarHBondContact O-N 2.88Å; C805-C810 HydrophobicContact CB-CB 4.18Å; C805-C810 VanDerWaalsContact SG-SG 3.69Å; C805-T812 WeakPolarHBondContact CB-O 3.29Å; C805-T812 PolarHBondContact N-O 2.6Å; C805-F814 HydrophobicContact CB-CZ 4.35Å; C805-C831 HydrophobicContact CB-CB 3.92Å; C805-C831 PolarHBondContact SG-N 2.84Å; C805-C831 VanDerWaalsContact SG-SG 3.64Å; C805-C834 VanDerWaalsContact SG-SG 3.65Å; C805-R911 PolarHBondContact O-NH2 3.16Å
806	L	90.3	Very high	80.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.			trans	-71.2	-19.5	-172	-66	174.3	0	0	0	113.3	L797 E804 E808 W828 L829 R911 L957	L797-L806 HydrophobicContact CD1-CD1 3.36Å; E804-L806 PolarHBondContact O-N 3.45Å; L806-E808 PolarHBondContact O-N 3.14Å; L806-W828 HydrophobicContact CB-CD2 4.46Å; L806-W828 HydrophobicContact CB-CE3 3.47Å; L806-W828 VanDerWaalsContact CB-CE3 3.47Å; L806-W828 HydrophobicContact CB-CH2 4.17Å; L806-W828 HydrophobicContact CB-CZ3 3.33Å; L806-W828 HydrophobicContact CD1-CE3 4.33Å; L806-W828 WeakPolarHBondContact O-CZ3 3.25Å; L806-L829 HydrophobicContact CD1-CB 3.78Å; L806-L829 HydrophobicContact CG-CB 4.25Å; L806-L829 PolarHBondContact N-O 3.38Å; L806-R911 WeakPolarHBondContact O-CB 3.47Å; L806-R911 PolarHBondContact O-NE 3.33Å; L806-L957 HydrophobicContact CD1-CD1 4.07Å; L806-L957 HydrophobicContact CD2-CB 3.78Å; L806-L957 HydrophobicContact CD2-CD1 4.11Å
807	M	91.8	Very high	79.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-53.8	135.3	177.5	-55.5	-50.5	-69.5	0	0	111.9	C805 C810 W828 I830 C834 C851 E853 F908 R909	C805-M807 PolarHBondContact O-N 2.88Å; M807-C810 HydrophobicContact CB-CB 4.02Å; M807-C810 WeakPolarHBondContact O-CB 3.37Å; M807-C810 PolarHBondContact O-N 3.44Å; M807-W828 HydrophobicContact SD-CE3 4.15Å; M807-I830 HydrophobicContact CG-CG2 3.84Å; M807-I830 HydrophobicContact SD-CG2 3.74Å; M807-C834 HydrophobicContact CG-CB 3.68Å; M807-C851 HydrophobicContact CE-CB 4.01Å; M807-C851 HydrophobicContact SD-CB 3.69Å; M807-E853 HydrophobicContact CE-CB 4.38Å; M807-F908 HydrophobicContact CB-CB 4.38Å; M807-F908 HydrophobicContact CB-CD2 4.48Å; M807-F908 HydrophobicContact CE-CB 4.4Å; M807-F908 WeakPolarHBondContact CE-O 3.44Å; M807-R909 CarbonylContact C-O 3.47Å; M807-R909 WeakPolarHBondContact CA-O 3.34Å; M807-R909 VanDerWaalsContact CE-C 3.49Å; M807-R909 VanDerWaalsContact CE-O 3.3Å; M807-R909 WeakPolarHBondContact CE-O 3.46Å
808	E	88.3	Confident	79.8	Confident	108 Å²	108	36.1 Å²	36.1	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	144	173.7	-170.2	168.9	-138.8	0	0	110.9	L806 C810 F908 R909 R911	L806-E808 PolarHBondContact O-N 3.14Å; E808-C810 PolarHBondContact O-N 3.27Å; E808-F908 WeakPolarHBondContact O-CD2 3.41Å; E808-F908 WeakPolarHBondContact O-CE2 3.3Å; E808-R909 PolarHBondContact N-O 3.47Å; E808-R911 HydrophobicContact CB-CB 4.38Å
809	G	84.9	Confident	80.2	Confident	69 Å²	69	41.7 Å²	41.7	71%	0.711	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	-9.9	-172.2	0	0	0	0	0	115.7	S811	G809-S811 PolarHBondContact O-N 3.43Å
810	C	89.4	Confident	80.9	Confident	4 Å²	4	41 Å²	41	3%	0.027	22%	0.217	C	C	.	.			trans	-96.7	92.7	-177.4	-162	0	0	0	0	113.5	C805 M807 E808 T812 F908	C805-C810 HydrophobicContact CB-CB 4.18Å; C805-C810 VanDerWaalsContact SG-SG 3.69Å; M807-C810 HydrophobicContact CB-CB 4.02Å; M807-C810 WeakPolarHBondContact O-CB 3.37Å; M807-C810 PolarHBondContact O-N 3.44Å; E808-C810 PolarHBondContact O-N 3.27Å; C810-T812 PolarHBondContact O-N 2.88Å; C810-T812 PolarHBondContact SG-OG1 2.96Å; C810-T812 VanDerWaalsContact SG-OG1 3.34Å; C810-F908 HydrophobicContact CB-CD2 4.1Å; C810-F908 HydrophobicContact CB-CE2 4.11Å
811	S	85.3	Confident	81.8	Confident	72 Å²	72	37.4 Å²	37.4	50%	0.503	20%	0.196	S	C	.	.			trans	-74.5	40.4	172.5	60.1	0	0	0	0	113.9	K22 G809 E813	K22-S811 WeakPolarHBondContact CE-O 3.4Å; K22-S811 PolarHBondContact NZ-O 2.89Å; G809-S811 PolarHBondContact O-N 3.43Å; S811-E813 PolarHBondContact O-N 3.04Å
812	T	86.3	Confident	82.4	Confident	6 Å²	6	37.2 Å²	37.2	4%	0.037	19%	0.194	C	C	.	.			trans	-96.5	91	-177.3	-58.7	0	0	0	0	112.8	K22 E804 C805 C810 C831 F833	K22-T812 PolarHBondContact NZ-OG1 3.15Å; E804-T812 WeakPolarHBondContact CA-O 3.18Å; C805-T812 WeakPolarHBondContact CB-O 3.29Å; C805-T812 PolarHBondContact N-O 2.6Å; C810-T812 PolarHBondContact O-N 2.88Å; C810-T812 PolarHBondContact SG-OG1 2.96Å; C810-T812 VanDerWaalsContact SG-OG1 3.34Å; T812-C831 HydrophobicContact CG2-CB 3.49Å; T812-C831 VanDerWaalsContact CG2-CB 3.49Å; T812-F833 HydrophobicContact CG2-CD2 4.33Å; T812-F833 HydrophobicContact CG2-CE2 4.49Å
813	E	84.7	Confident	82.9	Confident	38 Å²	38	37.2 Å²	37.2	18%	0.178	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-59.1	137.8	169.1	-72.1	170.5	-118	0	0	112.2	A26 N803 E804 S811 N818 K960	A26-E813 HydrophobicContact CB-CB 4.38Å; A26-E813 VanDerWaalsContact CB-OE2 3.25Å; A26-E813 WeakPolarHBondContact CB-OE2 3.5Å; N803-E813 CarbonylContact O-C 3.57Å; N803-E813 VanDerWaalsContact O-CA 3.31Å; N803-E813 WeakPolarHBondContact O-CA 3.47Å; E804-E813 HydrophobicContact CB-CG 4.12Å; S811-E813 PolarHBondContact O-N 3.04Å; E813-N818 WeakPolarHBondContact O-CB 3.45Å; E813-K960 IonicContact OE1-NZ 3.73Å; E813-K960 PolarHBondContact OE1-NZ 3.26Å
814	F	79.4	Confident	83.3	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.026	20%	0.2	C	C	.	.			trans	-87.9	136	179.4	-64.7	-57.6	0	0	0	110.9	N803 E804 C805 N818 R820 L829 I830 C831	N803-F814 PolarHBondContact O-N 2.98Å; E804-F814 WeakPolarHBondContact O-CE2 3.49Å; C805-F814 HydrophobicContact CB-CZ 4.35Å; F814-N818 VanDerWaalsContact CA-O 3.26Å; F814-N818 WeakPolarHBondContact CA-O 3.48Å; F814-N818 WeakPolarHBondContact CD1-O 3.35Å; F814-R820 HydrophobicContact CB-CG 3.88Å; F814-R820 HydrophobicContact CD1-CB 4.34Å; F814-R820 HydrophobicContact CD1-CG 3.63Å; F814-R820 HydrophobicContact CD2-CG 3.56Å; F814-R820 HydrophobicContact CE1-CB 4.36Å; F814-R820 HydrophobicContact CE1-CG 3.95Å; F814-R820 HydrophobicContact CE2-CG 3.88Å; F814-R820 HydrophobicContact CG-CG 3.43Å; F814-R820 VanDerWaalsContact CG-CG 3.43Å; F814-R820 HydrophobicContact CZ-CG 4.07Å; F814-L829 HydrophobicContact CD2-CD2 4.21Å; F814-L829 HydrophobicContact CE2-CB 4.5Å; F814-L829 HydrophobicContact CE2-CD2 3.58Å; F814-L829 HydrophobicContact CE2-CG 3.66Å; F814-L829 HydrophobicContact CZ-CD2 4.32Å; F814-L829 HydrophobicContact CZ-CG 3.88Å; F814-I830 WeakPolarHBondContact CE1-O 3.43Å; F814-C831 HydrophobicContact CE1-CB 4.02Å
815	N	69.8	Low	83.3	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.064	20%	0.204	C	C	.	.			trans	-156.5	-169.3	176.4	59.5	47.2	0	0	0	109.5	M25 Q29 I817 N818	M25-N815 WeakPolarHBondContact CB-ND2 3.43Å; Q29-N815 HydrophobicContact CB-CB 4.38Å; N815-I817 VanDerWaalsContact C-N 3.25Å; N815-I817 PolarHBondContact O-N 2.98Å; N815-I817 PolarHBondContact OD1-N 3Å; N815-N818 PolarHBondContact N-O 3.17Å; N815-N818 CarbonylContact O-C 3.6Å; N815-N818 PolarHBondContact O-N 3.34Å; N815-N818 VanDerWaalsContact O-O 3.12Å; N815-N818 PolarHBondContact OD1-N 2.95Å
816	I	60.1	Low	83.1	Confident	54 Å²	54	41.9 Å²	41.9	28%	0.277	22%	0.215	S	C	.	.	S	Bend	trans	-55.1	-38.8	-178.3	-57.3	176.5	0	0	0	112	P439 I440 M443 F472 R819	P439-I816 HydrophobicContact CB-CD1 4.29Å; I440-I816 HydrophobicContact CD1-CD1 4.37Å; I440-I816 HydrophobicContact CD1-CG2 4.29Å; I440-I816 HydrophobicContact CG1-CD1 3.87Å; I440-I816 HydrophobicContact CG1-CG2 4.24Å; M443-I816 HydrophobicContact CE-CD1 4.4Å; M443-I816 HydrophobicContact SD-CD1 4.48Å; F472-I816 HydrophobicContact CD1-CG2 3.74Å; F472-I816 HydrophobicContact CE1-CG2 3.82Å; F472-I816 WeakPolarHBondContact CE1-O 3.46Å; I816-R819 WeakPolarHBondContact O-CG 3.35Å
817	I	59.8	Low	82.8	Confident	35 Å²	35	41.9 Å²	41.9	18%	0.179	22%	0.215	C	C	.	.	S	Bend	trans	-85.3	-49.5	176.4	-63.8	-154.9	0	0	0	111.9	M25 T468 F469 F472 N815 R819	M25-I817 HydrophobicContact CE-CD1 3.31Å; M25-I817 HydrophobicContact CE-CG1 3.81Å; M25-I817 HydrophobicContact SD-CB 3.94Å; M25-I817 HydrophobicContact SD-CD1 3.83Å; M25-I817 HydrophobicContact SD-CG1 3.77Å; T468-I817 HydrophobicContact CG2-CD1 4.38Å; F469-I817 HydrophobicContact CE1-CD1 4.35Å; F469-I817 HydrophobicContact CE2-CD1 4.36Å; F469-I817 HydrophobicContact CZ-CD1 4.13Å; F472-I817 HydrophobicContact CE1-CG1 4.28Å; F472-I817 HydrophobicContact CE2-CD1 4.16Å; F472-I817 HydrophobicContact CE2-CG1 4.04Å; F472-I817 HydrophobicContact CZ-CB 4.36Å; F472-I817 HydrophobicContact CZ-CD1 4.43Å; F472-I817 HydrophobicContact CZ-CG1 3.81Å; N815-I817 VanDerWaalsContact C-N 3.25Å; N815-I817 PolarHBondContact O-N 2.98Å; N815-I817 PolarHBondContact OD1-N 3Å; I817-R819 VanDerWaalsContact C-N 3.26Å; I817-R819 PolarHBondContact O-N 3.34Å
818	N	72.8	Confident	82.4	Confident	11 Å²	11	43.6 Å²	43.6	6%	0.059	22%	0.221	C	C	.	.	S	Bend	trans	-82.7	73.6	176.3	-72.8	-26.7	0	0	0	109.8	E813 F814 N815 K832	E813-N818 WeakPolarHBondContact O-CB 3.45Å; F814-N818 VanDerWaalsContact CA-O 3.26Å; F814-N818 WeakPolarHBondContact CA-O 3.48Å; F814-N818 WeakPolarHBondContact CD1-O 3.35Å; N815-N818 PolarHBondContact N-O 3.17Å; N815-N818 CarbonylContact O-C 3.6Å; N815-N818 PolarHBondContact O-N 3.34Å; N815-N818 VanDerWaalsContact O-O 3.12Å; N815-N818 PolarHBondContact OD1-N 2.95Å; N818-K832 PolarHBondContact OD1-NZ 3.36Å
819	R	76.2	Confident	82.3	Confident	179 Å²	179	38.4 Å²	38.4	68%	0.675	20%	0.197	S	C	*	.			trans	-64.9	146.8	-179.9	-63.9	-174.3	64.2	-176.8	0.1	112.2	I816 I817	I816-R819 WeakPolarHBondContact O-CG 3.35Å; I817-R819 VanDerWaalsContact C-N 3.26Å; I817-R819 PolarHBondContact O-N 3.34Å
820	R	85	Confident	82.7	Confident	69 Å²	69	35.1 Å²	35.1	26%	0.26	16%	0.163	S	C	.	.			trans	-65.4	145.7	172.4	-71	168.6	171.6	94.2	-9.8	111.6	D799 S802 N803 F814 L829	D799-R820 WeakPolarHBondContact O-CD 3.05Å; D799-R820 VanDerWaalsContact O-CZ 3.31Å; D799-R820 PolarHBondContact O-NE 3.36Å; D799-R820 PolarHBondContact O-NH2 3.21Å; D799-R820 WeakPolarHBondContact OD1-CB 3.38Å; D799-R820 VanDerWaalsContact OD1-CD 3.23Å; D799-R820 WeakPolarHBondContact OD1-CD 3.43Å; S802-R820 PolarHBondContact O-NE 2.83Å; S802-R820 PolarHBondContact O-NH2 3.05Å; N803-R820 PolarHBondContact OD1-NH2 3.46Å; N803-R820 VanDerWaalsContact OD1-NH2 3.09Å; F814-R820 HydrophobicContact CB-CG 3.88Å; F814-R820 HydrophobicContact CD1-CB 4.34Å; F814-R820 HydrophobicContact CD1-CG 3.63Å; F814-R820 HydrophobicContact CD2-CG 3.56Å; F814-R820 HydrophobicContact CE1-CB 4.36Å; F814-R820 HydrophobicContact CE1-CG 3.95Å; F814-R820 HydrophobicContact CE2-CG 3.88Å; F814-R820 HydrophobicContact CG-CG 3.43Å; F814-R820 VanDerWaalsContact CG-CG 3.43Å; F814-R820 HydrophobicContact CZ-CG 4.07Å; R820-L829 HydrophobicContact CB-CD1 3.97Å; R820-L829 HydrophobicContact CB-CG 4.5Å; R820-L829 HydrophobicContact CG-CD1 4.2Å; R820-L829 HydrophobicContact CG-CD2 4.26Å; R820-L829 HydrophobicContact CG-CG 4.32Å
821	H	91.4	Very high	82.9	Confident	49 Å²	49	35 Å²	35	23%	0.227	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.8	172.2	-55.3	-30.5	0	0	0	109.8	I830	H821-I830 HydrophobicContact CB-CG1 4.15Å; H821-I830 WeakPolarHBondContact CB-O 3.39Å; H821-I830 PolarHBondContact N-O 3.38Å; H821-I830 WeakPolarHBondContact O-CG1 3.36Å; H821-I830 PolarHBondContact O-N 2.99Å
822	H	90.4	Very high	83.3	Confident	27 Å²	27	36.4 Å²	36.4	13%	0.125	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.4	172.2	-60.3	79.8	0	0	0	111.8	W796 L797 D799 R824 W828 L829	W796-H822 HydrophobicContact CD2-CB 3.77Å; W796-H822 AromaticContact CD2-CG 3.79Å; W796-H822 HydrophobicContact CE3-CB 3.73Å; W796-H822 AromaticContact CE3-CD2 3.83Å; W796-H822 AromaticContact CE3-CG 3.42Å; W796-H822 VanDerWaalsContact CE3-CG 3.42Å; W796-H822 AromaticContact CE3-ND1 3.64Å; W796-H822 HydrophobicContact CG-CB 4.33Å; W796-H822 HydrophobicContact CH2-CB 4.34Å; W796-H822 HydrophobicContact CZ2-CB 4.36Å; W796-H822 HydrophobicContact CZ3-CB 4.03Å; W796-H822 AromaticContact CZ3-CG 3.94Å; W796-H822 AromaticContact CZ3-ND1 3.88Å; L797-H822 PolarHBondContact O-CD2 2.55Å; L797-H822 PolarHBondContact O-NE2 2.92Å; D799-H822 IonicContact OD1-CE1 3.59Å; D799-H822 PolarHBondContact OD1-CE1 3.47Å; D799-H822 IonicContact OD1-NE2 3.67Å; H822-R824 PolarHBondContact O-N 3.36Å; H822-W828 CarbonylContact C-O 3.56Å; H822-W828 WeakPolarHBondContact CA-O 3.42Å; H822-L829 WeakPolarHBondContact NE2-CD1 3.45Å
823	C	92.2	Very high	83.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.172	C	C	.	.			trans	-66.6	121.2	163.8	179.2	0	0	0	0	109.3	D825 C826 G827 W828 I830 C851	C823-D825 PolarHBondContact O-N 3.34Å; C823-D825 PolarHBondContact SG-N 3.5Å; C823-C826 PolarHBondContact SG-SG 3.41Å; C823-G827 VanDerWaalsContact O-CA 3.23Å; C823-G827 WeakPolarHBondContact O-CA 3.28Å; C823-G827 PolarHBondContact O-N 3.32Å; C823-W828 HydrophobicContact CB-CB 4.32Å; C823-W828 PolarHBondContact N-O 3.17Å; C823-I830 HydrophobicContact CB-CD1 4.46Å; C823-C851 HydrophobicContact CB-CB 4.19Å; C823-C851 PolarHBondContact SG-N 3.08Å
824	R	91.5	Very high	84.2	Confident	88 Å²	88	37.6 Å²	37.6	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	179.2	-68.8	-173.3	170.3	-162.9	-5.4	113.7	W796 H822 L840 K842 Y843 Q848 N849	W796-R824 HydrophobicContact CZ2-CG 4.28Å; H822-R824 PolarHBondContact O-N 3.36Å; R824-L840 HydrophobicContact CB-CD1 4.04Å; R824-K842 WeakPolarHBondContact O-CE 3.19Å; R824-Y843 HydrophobicContact CB-CE2 3.98Å; R824-Q848 HydrophobicContact CB-CB 4.18Å; R824-N849 WeakPolarHBondContact CB-O 3.26Å; R824-N849 PolarHBondContact N-O 2.94Å
825	D	88.8	Confident	84.9	Confident	20 Å²	20	40.6 Å²	40.6	11%	0.107	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-50.7	174.6	-163.2	35.8	0	0	0	113.2	P794 C823 L840 K842 V850 C854 R857 H858	P794-D825 WeakPolarHBondContact CB-O 3.44Å; P794-D825 VanDerWaalsContact CG-O 3.32Å; P794-D825 WeakPolarHBondContact CG-O 3.2Å; C823-D825 PolarHBondContact O-N 3.34Å; C823-D825 PolarHBondContact SG-N 3.5Å; D825-L840 HydrophobicContact CB-CD1 4.02Å; D825-L840 HydrophobicContact CB-CD2 3.99Å; D825-K842 PolarHBondContact O-NZ 2.98Å; D825-K842 WeakPolarHBondContact OD1-CE 3.38Å; D825-K842 IonicContact OD1-NZ 3.61Å; D825-K842 PolarHBondContact OD1-NZ 3.44Å; D825-V850 HydrophobicContact CB-CG1 4.23Å; D825-C854 HydrophobicContact CB-CB 4.12Å; D825-R857 IonicContact OD2-CZ 3.91Å; D825-R857 IonicContact OD2-NE 2.88Å; D825-R857 IonicContact OD2-NH2 3.42Å; D825-R857 PolarHBondContact OD2-NH2 3.41Å; D825-H858 VanDerWaalsContact CG-NE2 3.34Å; D825-H858 IonicContact OD1-NE2 3.47Å; D825-H858 IonicContact OD2-CD2 2.69Å; D825-H858 IonicContact OD2-CE1 3.12Å; D825-H858 IonicContact OD2-NE2 2.7Å; D825-H858 PolarHBondContact OD2-NE2 3.34Å
826	C	86.6	Confident	86.2	Confident	33 Å²	33	40 Å²	40	22%	0.223	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-0.6	-176.4	66.2	0	0	0	0	115.7	P794 C823 W828 H910	P794-C826 VanDerWaalsContact CB-C 3.44Å; C823-C826 PolarHBondContact SG-SG 3.41Å; C826-W828 VanDerWaalsContact C-N 3.26Å; C826-W828 PolarHBondContact O-N 3.33Å; C826-H910 PolarHBondContact SG-NE2 3.43Å; C826-H910 VanDerWaalsContact SG-NE2 3.39Å
827	G	84.4	Confident	87.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.172	C	C	.	.			trans	78.8	-2	177.4	0	0	0	0	0	116	L797 C823	L797-G827 PolarHBondContact N-O 3Å; L797-G827 VanDerWaalsContact N-O 3.08Å; C823-G827 VanDerWaalsContact O-CA 3.23Å; C823-G827 WeakPolarHBondContact O-CA 3.28Å; C823-G827 PolarHBondContact O-N 3.32Å
828	W	84.4	Confident	89.6	Confident	35 Å²	35	38.2 Å²	38.2	13%	0.133	16%	0.163	C	C	.	.			trans	-66.2	146.5	-175.5	-90.8	52.3	0	0	0	115.5	L797 L806 M807 H822 C823 C826 H910 R911 V913	L797-W828 HydrophobicContact CD1-CG 4.38Å; L806-W828 HydrophobicContact CB-CD2 4.46Å; L806-W828 HydrophobicContact CB-CE3 3.47Å; L806-W828 VanDerWaalsContact CB-CE3 3.47Å; L806-W828 HydrophobicContact CB-CH2 4.17Å; L806-W828 HydrophobicContact CB-CZ3 3.33Å; L806-W828 HydrophobicContact CD1-CE3 4.33Å; L806-W828 WeakPolarHBondContact O-CZ3 3.25Å; M807-W828 HydrophobicContact SD-CE3 4.15Å; H822-W828 CarbonylContact C-O 3.56Å; H822-W828 WeakPolarHBondContact CA-O 3.42Å; C823-W828 HydrophobicContact CB-CB 4.32Å; C823-W828 PolarHBondContact N-O 3.17Å; C826-W828 VanDerWaalsContact C-N 3.26Å; C826-W828 PolarHBondContact O-N 3.33Å; W828-H910 HydrophobicContact CD2-CB 4.37Å; W828-H910 AromaticContact CD2-CD2 3.27Å; W828-H910 AromaticContact CD2-CG 3.92Å; W828-H910 AromaticContact CD2-NE2 3.92Å; W828-H910 AromaticContact CE2-CD2 3.72Å; W828-H910 AromaticContact CE2-CG 3.89Å; W828-H910 HydrophobicContact CE3-CB 4.19Å; W828-H910 AromaticContact CE3-CD2 3.28Å; W828-H910 AromaticContact CG-CD2 3.75Å; W828-H910 AromaticContact CG-NE2 3.89Å; W828-H910 HydrophobicContact CH2-CB 3.53Å; W828-H910 HydrophobicContact CZ2-CB 3.7Å; W828-H910 HydrophobicContact CZ3-CB 3.73Å; W828-H910 AromaticContact CZ3-CD2 3.75Å; W828-R911 HydrophobicContact CH2-CB 4.4Å; W828-R911 WeakPolarHBondContact CH2-O 3.42Å; W828-V913 HydrophobicContact CH2-CG2 4.02Å; W828-V913 HydrophobicContact CZ2-CG2 4.18Å
829	L	85.8	Confident	90.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.6	-178.6	-157.9	70.6	0	0	0	111.3	L806 F814 R820 H822	L806-L829 HydrophobicContact CD1-CB 3.78Å; L806-L829 HydrophobicContact CG-CB 4.25Å; L806-L829 PolarHBondContact N-O 3.38Å; F814-L829 HydrophobicContact CD2-CD2 4.21Å; F814-L829 HydrophobicContact CE2-CB 4.5Å; F814-L829 HydrophobicContact CE2-CD2 3.58Å; F814-L829 HydrophobicContact CE2-CG 3.66Å; F814-L829 HydrophobicContact CZ-CD2 4.32Å; F814-L829 HydrophobicContact CZ-CG 3.88Å; R820-L829 HydrophobicContact CB-CD1 3.97Å; R820-L829 HydrophobicContact CB-CG 4.5Å; R820-L829 HydrophobicContact CG-CD1 4.2Å; R820-L829 HydrophobicContact CG-CD2 4.26Å; R820-L829 HydrophobicContact CG-CG 4.32Å; H822-L829 WeakPolarHBondContact NE2-CD1 3.45Å
830	I	92.9	Very high	91.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.1	-170.8	62.7	178.5	0	0	0	113	M807 F814 H821 C823 C834 K835 V850 C851	M807-I830 HydrophobicContact CG-CG2 3.84Å; M807-I830 HydrophobicContact SD-CG2 3.74Å; F814-I830 WeakPolarHBondContact CE1-O 3.43Å; H821-I830 HydrophobicContact CB-CG1 4.15Å; H821-I830 WeakPolarHBondContact CB-O 3.39Å; H821-I830 PolarHBondContact N-O 3.38Å; H821-I830 WeakPolarHBondContact O-CG1 3.36Å; H821-I830 PolarHBondContact O-N 2.99Å; C823-I830 HydrophobicContact CB-CD1 4.46Å; I830-C834 HydrophobicContact CB-CB 4.18Å; I830-K835 HydrophobicContact CD1-CB 4.15Å; I830-V850 WeakPolarHBondContact CD1-O 3.49Å; I830-C851 HydrophobicContact CD1-CB 3.92Å; I830-C851 HydrophobicContact CG2-CB 3.83Å
831	C	92.7	Very high	91.5	Very high	1 Å²	1	28 Å²	28	1%	0.007	13%	0.131	C	C	.	.			trans	-88.5	169.9	174.1	73.7	0	0	0	0	112.9	C805 T812 F814 F833 C834 K835	C805-C831 HydrophobicContact CB-CB 3.92Å; C805-C831 PolarHBondContact SG-N 2.84Å; C805-C831 VanDerWaalsContact SG-SG 3.64Å; T812-C831 HydrophobicContact CG2-CB 3.49Å; T812-C831 VanDerWaalsContact CG2-CB 3.49Å; F814-C831 HydrophobicContact CE1-CB 4.02Å; C831-F833 PolarHBondContact O-N 2.99Å; C831-F833 VanDerWaalsContact O-N 3.07Å; C831-C834 PolarHBondContact O-N 2.75Å; C831-C834 VanDerWaalsContact O-N 3.1Å; C831-K835 WeakPolarHBondContact O-CB 3.4Å; C831-K835 PolarHBondContact O-N 3.34Å; C831-K835 VanDerWaalsContact O-N 3.12Å
832	K	93.4	Very high	91.1	Very high	101 Å²	101	28 Å²	28	44%	0.439	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.5	177.5	68.8	-174.2	179.3	-169.8	0	115.1	N818	N818-K832 PolarHBondContact OD1-NZ 3.36Å
833	F	94.5	Very high	91	Very high	69 Å²	69	29.1 Å²	29.1	30%	0.303	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-33.1	179.8	-55.1	-75.1	0	0	0	112.8	T812 C831 P903 V904 N905	T812-F833 HydrophobicContact CG2-CD2 4.33Å; T812-F833 HydrophobicContact CG2-CE2 4.49Å; C831-F833 PolarHBondContact O-N 2.99Å; C831-F833 VanDerWaalsContact O-N 3.07Å; F833-P903 WeakPolarHBondContact O-CB 3.33Å; F833-V904 HydrophobicContact CB-CB 4.27Å; F833-V904 HydrophobicContact CD1-CB 4.4Å; F833-V904 HydrophobicContact CD1-CG1 4.48Å; F833-V904 HydrophobicContact CD1-CG2 4.38Å; F833-V904 PolarHBondContact O-N 3.45Å; F833-N905 WeakPolarHBondContact CB-OD1 3.3Å; F833-N905 PolarHBondContact O-N 3.43Å
834	C	95.4	Very high	90.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.2	175.5	-66.1	0	0	0	0	113.7	C805 M807 I830 C831 G836 C851 S852	C805-C834 VanDerWaalsContact SG-SG 3.65Å; M807-C834 HydrophobicContact CG-CB 3.68Å; I830-C834 HydrophobicContact CB-CB 4.18Å; C831-C834 PolarHBondContact O-N 2.75Å; C831-C834 VanDerWaalsContact O-N 3.1Å; C834-G836 PolarHBondContact O-N 2.59Å; C834-C851 WeakPolarHBondContact O-CA 3.12Å; C834-S852 PolarHBondContact O-N 2.9Å
835	K	95.6	Very high	90.8	Very high	70 Å²	70	29.3 Å²	29.3	30%	0.304	14%	0.14	S	C	.	.			trans	-86.3	96.2	-178.3	-179.1	-140.7	177.4	-177.6	0	111.2	I830 C831 N849 V850	I830-K835 HydrophobicContact CD1-CB 4.15Å; C831-K835 WeakPolarHBondContact O-CB 3.4Å; C831-K835 PolarHBondContact O-N 3.34Å; C831-K835 VanDerWaalsContact O-N 3.12Å; K835-N849 WeakPolarHBondContact CE-OD1 3.32Å; K835-N849 HydrophobicContact CG-CB 4.46Å; K835-V850 CarbonylContact C-O 3.52Å; K835-V850 WeakPolarHBondContact CA-O 3.39Å
836	G	95.8	Very high	90.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-176.9	164.7	0	0	0	0	0	112.4	C834 V850 K901	C834-G836 PolarHBondContact O-N 2.59Å; G836-V850 PolarHBondContact N-O 3.47Å; G836-V850 PolarHBondContact O-N 3.27Å; G836-K901 CarbonylContact C-O 3.48Å; G836-K901 VanDerWaalsContact CA-O 3.25Å; G836-K901 WeakPolarHBondContact CA-O 3.48Å
837	Q	97.5	Very high	91.2	Very high	50 Å²	50	32.1 Å²	32.1	23%	0.234	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.2	166.5	-55.3	179.9	-81.6	0	0	111	K847 Q848 F855 F900 K901	Q837-K847 HydrophobicContact CB-CD 4.29Å; Q837-K847 HydrophobicContact CB-CG 3.82Å; Q837-Q848 CarbonylContact C-O 3.58Å; Q837-Q848 WeakPolarHBondContact CA-O 3.41Å; Q837-F855 WeakPolarHBondContact O-CD2 3.26Å; Q837-F855 VanDerWaalsContact O-CE2 3.27Å; Q837-F855 WeakPolarHBondContact O-CE2 3.08Å; Q837-F900 CarbonylContact O-C 3.6Å; Q837-F900 WeakPolarHBondContact O-CA 3.49Å; Q837-K901 HydrophobicContact CB-CB 4.07Å; Q837-K901 HydrophobicContact CG-CB 4.37Å; Q837-K901 PolarHBondContact N-O 2.6Å; Q837-K901 PolarHBondContact O-N 3.21Å
838	A	95.4	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.8	177.5	0	0	0	0	0	110.5	Q848 V850 F855 H858 F900	A838-Q848 PolarHBondContact N-O 2.9Å; A838-Q848 PolarHBondContact O-N 3.09Å; A838-V850 HydrophobicContact CB-CG1 4.34Å; A838-V850 HydrophobicContact CB-CG2 3.89Å; A838-F855 HydrophobicContact CB-CD2 4.3Å; A838-H858 HydrophobicContact CB-CB 4.08Å; A838-F900 HydrophobicContact CB-CD1 4.1Å; A838-F900 HydrophobicContact CB-CE1 4.01Å
839	P	94.7	Very high	92.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	134.1	171.4	29.2	-30.8	0	0	0	110.7	F845 T846 L867 F868 L899 F900	P839-F845 WeakPolarHBondContact CB-O 3.32Å; P839-T846 WeakPolarHBondContact CA-O 3.31Å; P839-L867 HydrophobicContact CG-CD2 4.02Å; P839-F868 HydrophobicContact CB-CE1 4.42Å; P839-F868 HydrophobicContact CB-CZ 4.33Å; P839-F868 HydrophobicContact CG-CE1 4.38Å; P839-F868 HydrophobicContact CG-CZ 3.84Å; P839-L899 HydrophobicContact CB-CB 4.08Å; P839-L899 HydrophobicContact CB-CD1 4.04Å; P839-L899 HydrophobicContact CG-CB 3.87Å; P839-L899 HydrophobicContact CG-CD1 4.26Å; P839-F900 HydrophobicContact CG-CE1 4.46Å; P839-F900 HydrophobicContact CG-CE2 4.15Å; P839-F900 HydrophobicContact CG-CZ 3.93Å
840	L	91.1	Very high	92.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.			trans	-120.2	130.1	-179	-64.9	-178.2	0	0	0	111.8	R824 D825 K842 Y843 F845 T846 Q848 V850 H858	R824-L840 HydrophobicContact CB-CD1 4.04Å; D825-L840 HydrophobicContact CB-CD1 4.02Å; D825-L840 HydrophobicContact CB-CD2 3.99Å; L840-K842 VanDerWaalsContact C-N 3.35Å; L840-K842 PolarHBondContact O-N 2.88Å; L840-Y843 HydrophobicContact CB-CD2 3.91Å; L840-Y843 HydrophobicContact CD1-CD2 3.93Å; L840-Y843 HydrophobicContact CD1-CE2 4.12Å; L840-Y843 CarbonylContact O-C 3.29Å; L840-Y843 PolarHBondContact O-N 3.48Å; L840-F845 VanDerWaalsContact O-CA 3.31Å; L840-F845 WeakPolarHBondContact O-CA 3.49Å; L840-F845 PolarHBondContact O-N 2.8Å; L840-T846 PolarHBondContact N-O 3.29Å; L840-Q848 HydrophobicContact CB-CG 4.28Å; L840-Q848 HydrophobicContact CD1-CB 3.66Å; L840-Q848 HydrophobicContact CD1-CG 4.06Å; L840-Q848 HydrophobicContact CG-CB 4Å; L840-Q848 HydrophobicContact CG-CG 4.27Å; L840-V850 HydrophobicContact CD1-CG1 4.26Å; L840-V850 HydrophobicContact CD2-CG1 4.21Å; L840-V850 HydrophobicContact CG-CG1 4.5Å; L840-H858 VanDerWaalsContact CD2-NE2 3.29Å; L840-H858 WeakPolarHBondContact CD2-NE2 3.31Å
841	S	87.9	Confident	92.7	Very high	46 Å²	46	33.2 Å²	33.2	32%	0.322	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-51.2	-49.1	178.3	54.4	0	0	0	0	112.9	E790 Y843 D844	E790-S841 PolarHBondContact O-OG 3.26Å; S841-Y843 PolarHBondContact O-N 2.76Å; S841-D844 PolarHBondContact O-N 3.04Å; S841-D844 VanDerWaalsContact O-N 3.09Å
842	K	83	Confident	92.8	Very high	47 Å²	47	33.2 Å²	33.2	20%	0.204	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-67.8	2.3	177.6	63.8	-164.5	177.6	-158.6	0	115.6	I792 R824 D825 L840	I792-K842 VanDerWaalsContact O-CD 3.29Å; I792-K842 WeakPolarHBondContact O-CD 3.4Å; I792-K842 PolarHBondContact O-NZ 3.4Å; R824-K842 WeakPolarHBondContact O-CE 3.19Å; D825-K842 PolarHBondContact O-NZ 2.98Å; D825-K842 WeakPolarHBondContact OD1-CE 3.38Å; D825-K842 IonicContact OD1-NZ 3.61Å; D825-K842 PolarHBondContact OD1-NZ 3.44Å; L840-K842 VanDerWaalsContact C-N 3.35Å; L840-K842 PolarHBondContact O-N 2.88Å
843	Y	87	Confident	92.8	Very high	51 Å²	51	30.1 Å²	30.1	20%	0.2	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-129.5	37	171	-65.2	-87.3	0	0	0	111.3	R824 L840 S841 F845 T846 Q848	R824-Y843 HydrophobicContact CB-CE2 3.98Å; L840-Y843 HydrophobicContact CB-CD2 3.91Å; L840-Y843 HydrophobicContact CD1-CD2 3.93Å; L840-Y843 HydrophobicContact CD1-CE2 4.12Å; L840-Y843 CarbonylContact O-C 3.29Å; L840-Y843 PolarHBondContact O-N 3.48Å; S841-Y843 PolarHBondContact O-N 2.76Å; Y843-F845 PolarHBondContact O-N 3.37Å; Y843-F845 VanDerWaalsContact O-N 3.16Å; Y843-T846 WeakPolarHBondContact O-CB 3.43Å; Y843-T846 WeakPolarHBondContact O-CG2 3.27Å; Y843-T846 PolarHBondContact O-N 2.82Å; Y843-T846 PolarHBondContact O-OG1 2.84Å; Y843-Q848 HydrophobicContact CD1-CG 4.41Å; Y843-Q848 HydrophobicContact CD2-CG 3.81Å; Y843-Q848 HydrophobicContact CG-CG 3.74Å
844	D	89	Confident	92.8	Very high	69 Å²	69	26.9 Å²	26.9	37%	0.369	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	32.5	177.8	-54.8	-70.9	0	0	0	113.2	S841 T846 G886 K887	S841-D844 PolarHBondContact O-N 3.04Å; S841-D844 VanDerWaalsContact O-N 3.09Å; D844-T846 PolarHBondContact O-N 2.85Å; D844-T846 VanDerWaalsContact O-N 3.14Å; D844-G886 PolarHBondContact O-N 3.18Å; D844-K887 HydrophobicContact CB-CG 4.48Å; D844-K887 WeakPolarHBondContact OD2-CE 3.44Å; D844-K887 WeakPolarHBondContact OD2-CG 3.46Å
845	F	91.8	Very high	92.9	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.101	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	14.9	-174.2	-58.1	-83.2	0	0	0	115.6	P839 L840 Y843 L867 F868 P869 I885	P839-F845 WeakPolarHBondContact CB-O 3.32Å; L840-F845 VanDerWaalsContact O-CA 3.31Å; L840-F845 WeakPolarHBondContact O-CA 3.49Å; L840-F845 PolarHBondContact O-N 2.8Å; Y843-F845 PolarHBondContact O-N 3.37Å; Y843-F845 VanDerWaalsContact O-N 3.16Å; F845-L867 VanDerWaalsContact CE1-O 3.27Å; F845-L867 WeakPolarHBondContact CE1-O 3.38Å; F845-F868 HydrophobicContact CB-CE1 4.15Å; F845-F868 AromaticContact CD1-CD1 3.93Å; F845-F868 HydrophobicContact CD1-CD1 3.93Å; F845-F868 HydrophobicContact CD1-CE1 4.03Å; F845-F868 HydrophobicContact CE1-CD1 4.45Å; F845-F868 HydrophobicContact CG-CD1 4.25Å; F845-F868 HydrophobicContact CG-CE1 4.31Å; F845-P869 HydrophobicContact CE2-CG 4.29Å; F845-P869 VanDerWaalsContact CZ-CD 3.46Å; F845-P869 HydrophobicContact CZ-CG 3.98Å; F845-I885 HydrophobicContact CB-CB 4.37Å; F845-I885 HydrophobicContact CB-CG2 3.86Å
846	T	90.2	Very high	92.8	Very high	44 Å²	44	24.8 Å²	24.8	27%	0.27	12%	0.124	S	C	.	.			trans	-68.5	155.9	171.7	62.8	0	0	0	0	111.7	P839 L840 Y843 D844 Q848	P839-T846 WeakPolarHBondContact CA-O 3.31Å; L840-T846 PolarHBondContact N-O 3.29Å; Y843-T846 WeakPolarHBondContact O-CB 3.43Å; Y843-T846 WeakPolarHBondContact O-CG2 3.27Å; Y843-T846 PolarHBondContact O-N 2.82Å; Y843-T846 PolarHBondContact O-OG1 2.84Å; D844-T846 PolarHBondContact O-N 2.85Å; D844-T846 VanDerWaalsContact O-N 3.14Å; T846-Q848 WeakPolarHBondContact O-CG 3.23Å; T846-Q848 PolarHBondContact O-N 3.23Å; T846-Q848 PolarHBondContact OG1-NE2 3.32Å
847	K	92.7	Very high	92.7	Very high	68 Å²	68	30.4 Å²	30.4	30%	0.296	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	114.9	-176.5	-174.3	166	-163.5	163.6	0	111.9	Q837 K898 L899 F900	Q837-K847 HydrophobicContact CB-CD 4.29Å; Q837-K847 HydrophobicContact CB-CG 3.82Å; K847-K898 PolarHBondContact NZ-O 3.02Å; K847-L899 VanDerWaalsContact CD-O 3.31Å; K847-L899 WeakPolarHBondContact CD-O 3.36Å; K847-L899 WeakPolarHBondContact CE-O 3.37Å; K847-L899 VanDerWaalsContact CG-O 3.31Å; K847-L899 WeakPolarHBondContact CG-O 3.45Å; K847-F900 PolarHBondContact NZ-O 3.07Å
848	Q	94.9	Very high	92.6	Very high	20 Å²	20	29 Å²	29	9%	0.093	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.2	-175.8	-61	-54	-35.4	0	0	112.8	R824 Q837 A838 L840 Y843 T846	R824-Q848 HydrophobicContact CB-CB 4.18Å; Q837-Q848 CarbonylContact C-O 3.58Å; Q837-Q848 WeakPolarHBondContact CA-O 3.41Å; A838-Q848 PolarHBondContact N-O 2.9Å; A838-Q848 PolarHBondContact O-N 3.09Å; L840-Q848 HydrophobicContact CB-CG 4.28Å; L840-Q848 HydrophobicContact CD1-CB 3.66Å; L840-Q848 HydrophobicContact CD1-CG 4.06Å; L840-Q848 HydrophobicContact CG-CB 4Å; L840-Q848 HydrophobicContact CG-CG 4.27Å; Y843-Q848 HydrophobicContact CD1-CG 4.41Å; Y843-Q848 HydrophobicContact CD2-CG 3.81Å; Y843-Q848 HydrophobicContact CG-CG 3.74Å; T846-Q848 WeakPolarHBondContact O-CG 3.23Å; T846-Q848 PolarHBondContact O-N 3.23Å; T846-Q848 PolarHBondContact OG1-NE2 3.32Å
849	N	93.8	Very high	92.6	Very high	39 Å²	39	32.5 Å²	32.5	21%	0.209	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.4	174.1	-62.1	-23.3	0	0	0	111	R824 K835	R824-N849 WeakPolarHBondContact CB-O 3.26Å; R824-N849 PolarHBondContact N-O 2.94Å; K835-N849 WeakPolarHBondContact CE-OD1 3.32Å; K835-N849 HydrophobicContact CG-CB 4.46Å
850	V	95.7	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.1	177.1	-69.5	0	0	0	0	111.7	D825 I830 K835 G836 A838 L840 C854 F855	D825-V850 HydrophobicContact CB-CG1 4.23Å; I830-V850 WeakPolarHBondContact CD1-O 3.49Å; K835-V850 CarbonylContact C-O 3.52Å; K835-V850 WeakPolarHBondContact CA-O 3.39Å; G836-V850 PolarHBondContact N-O 3.47Å; G836-V850 PolarHBondContact O-N 3.27Å; A838-V850 HydrophobicContact CB-CG1 4.34Å; A838-V850 HydrophobicContact CB-CG2 3.89Å; L840-V850 HydrophobicContact CD1-CG1 4.26Å; L840-V850 HydrophobicContact CD2-CG1 4.21Å; L840-V850 HydrophobicContact CG-CG1 4.5Å; V850-C854 HydrophobicContact CB-CB 4.03Å; V850-C854 HydrophobicContact CG1-CB 4.3Å; V850-F855 HydrophobicContact CG2-CB 3.82Å; V850-F855 HydrophobicContact CG2-CD2 4.18Å
851	C	95.4	Very high	92.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.187	C	C	.	.			trans	-74.6	172.3	164.8	65.4	0	0	0	0	110.9	M807 C823 I830 C834 C854 F855 H910	M807-C851 HydrophobicContact CE-CB 4.01Å; M807-C851 HydrophobicContact SD-CB 3.69Å; C823-C851 HydrophobicContact CB-CB 4.19Å; C823-C851 PolarHBondContact SG-N 3.08Å; I830-C851 HydrophobicContact CD1-CB 3.92Å; I830-C851 HydrophobicContact CG2-CB 3.83Å; C834-C851 WeakPolarHBondContact O-CA 3.12Å; C851-C854 PolarHBondContact O-N 3.3Å; C851-C854 VanDerWaalsContact SG-CB 3.56Å; C851-C854 PolarHBondContact SG-N 2.82Å; C851-C854 PolarHBondContact SG-SG 3.08Å; C851-F855 WeakPolarHBondContact O-CB 3.42Å; C851-F855 PolarHBondContact O-N 3.34Å; C851-H910 PolarHBondContact SG-NE2 2.95Å
852	S	94.4	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-56	177.7	-170.6	0	0	0	0	112.4	C834 C854 F855 D856 N905 Y906 G907 F908	C834-S852 PolarHBondContact O-N 2.9Å; S852-C854 PolarHBondContact O-N 3.38Å; S852-C854 VanDerWaalsContact O-N 3.1Å; S852-F855 CarbonylContact O-C 3.53Å; S852-F855 WeakPolarHBondContact O-CA 3.43Å; S852-F855 VanDerWaalsContact O-CB 3.26Å; S852-F855 WeakPolarHBondContact O-CB 3.35Å; S852-F855 PolarHBondContact O-N 3.28Å; S852-D856 PolarHBondContact O-N 2.92Å; S852-D856 VanDerWaalsContact O-OD2 3.1Å; S852-D856 PolarHBondContact OG-OD2 3.05Å; S852-D856 VanDerWaalsContact OG-OD2 3.05Å; S852-N905 VanDerWaalsContact CB-O 3.29Å; S852-N905 WeakPolarHBondContact CB-O 3.49Å; S852-N905 PolarHBondContact OG-O 3.34Å; S852-Y906 WeakPolarHBondContact OG-CA 3.32Å; S852-G907 PolarHBondContact OG-N 3.06Å; S852-F908 WeakPolarHBondContact CB-O 3.43Å; S852-F908 PolarHBondContact OG-N 3.28Å
853	E	92.3	Very high	93.2	Very high	37 Å²	37	44.8 Å²	44.8	17%	0.173	20%	0.203	C	C	.	.	H	α-helix	trans	-53.9	-38.2	-178.7	-168.6	-176.2	113	0	0	113.9	M807 R857 F908 R909 H910	M807-E853 HydrophobicContact CE-CB 4.38Å; E853-R857 WeakPolarHBondContact O-CB 3.44Å; E853-R857 PolarHBondContact O-N 3.1Å; E853-F908 PolarHBondContact N-O 3.12Å; E853-R909 WeakPolarHBondContact OE2-CA 3.26Å; E853-R909 WeakPolarHBondContact OE2-CD 3.49Å; E853-H910 IonicContact OE1-CE1 2.68Å; E853-H910 PolarHBondContact OE1-CE1 2.78Å; E853-H910 IonicContact OE1-CG 3.81Å; E853-H910 IonicContact OE1-ND1 3.82Å; E853-H910 PolarHBondContact OE1-ND1 3.41Å; E853-H910 IonicContact OE2-CE1 2.79Å; E853-H910 IonicContact OE2-CG 2.77Å; E853-H910 PolarHBondContact OE2-N 3.07Å; E853-H910 IonicContact OE2-ND1 3.75Å; E853-H910 PolarHBondContact OE2-ND1 2.81Å
854	C	94.9	Very high	93.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72	-38.3	173.6	-66.4	0	0	0	0	112.2	D825 V850 C851 S852 D856 R857 H858	D825-C854 HydrophobicContact CB-CB 4.12Å; V850-C854 HydrophobicContact CB-CB 4.03Å; V850-C854 HydrophobicContact CG1-CB 4.3Å; C851-C854 PolarHBondContact O-N 3.3Å; C851-C854 VanDerWaalsContact SG-CB 3.56Å; C851-C854 PolarHBondContact SG-N 2.82Å; C851-C854 PolarHBondContact SG-SG 3.08Å; S852-C854 PolarHBondContact O-N 3.38Å; S852-C854 VanDerWaalsContact O-N 3.1Å; C854-D856 VanDerWaalsContact C-N 3.34Å; C854-R857 PolarHBondContact O-N 3.34Å; C854-R857 PolarHBondContact SG-NH2 3.34Å; C854-H858 PolarHBondContact O-CD2 2.89Å; C854-H858 PolarHBondContact O-N 3.07Å
855	F	97	Very high	93.3	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-48.3	171.3	-178.1	-90.4	0	0	0	110.9	Q837 A838 V850 C851 S852 R857 H858 Y859 F900 K901 A902 Y906	Q837-F855 WeakPolarHBondContact O-CD2 3.26Å; Q837-F855 VanDerWaalsContact O-CE2 3.27Å; Q837-F855 WeakPolarHBondContact O-CE2 3.08Å; A838-F855 HydrophobicContact CB-CD2 4.3Å; V850-F855 HydrophobicContact CG2-CB 3.82Å; V850-F855 HydrophobicContact CG2-CD2 4.18Å; C851-F855 WeakPolarHBondContact O-CB 3.42Å; C851-F855 PolarHBondContact O-N 3.34Å; S852-F855 CarbonylContact O-C 3.53Å; S852-F855 WeakPolarHBondContact O-CA 3.43Å; S852-F855 VanDerWaalsContact O-CB 3.26Å; S852-F855 WeakPolarHBondContact O-CB 3.35Å; S852-F855 PolarHBondContact O-N 3.28Å; F855-R857 VanDerWaalsContact C-N 3.34Å; F855-R857 PolarHBondContact O-N 3.16Å; F855-H858 PolarHBondContact O-N 3.23Å; F855-Y859 HydrophobicContact CE1-CD1 4.42Å; F855-Y859 HydrophobicContact CE1-CG 4.18Å; F855-Y859 HydrophobicContact CZ-CG 4.45Å; F855-Y859 WeakPolarHBondContact O-CB 3.24Å; F855-Y859 PolarHBondContact O-N 3.18Å; F855-F900 HydrophobicContact CD2-CD1 4.38Å; F855-F900 HydrophobicContact CE2-CB 3.95Å; F855-F900 AromaticContact CE2-CD1 3.69Å; F855-F900 HydrophobicContact CE2-CD1 3.69Å; F855-F900 HydrophobicContact CE2-CG 4.32Å; F855-F900 HydrophobicContact CZ-CB 4.12Å; F855-F900 HydrophobicContact CZ-CD1 4.03Å; F855-K901 VanDerWaalsContact CE2-C 3.44Å; F855-K901 VanDerWaalsContact CE2-O 3.28Å; F855-K901 WeakPolarHBondContact CE2-O 3.43Å; F855-A902 HydrophobicContact CE1-CB 4.02Å; F855-A902 HydrophobicContact CZ-CB 3.98Å; F855-Y906 HydrophobicContact CD1-CD2 4.09Å; F855-Y906 AromaticContact CD1-CE2 3.8Å; F855-Y906 HydrophobicContact CD1-CE2 3.8Å; F855-Y906 HydrophobicContact CE1-CD2 4.18Å; F855-Y906 AromaticContact CE1-CE2 3.78Å; F855-Y906 HydrophobicContact CE1-CE2 3.78Å
856	D	94.7	Very high	93.2	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-42.6	-178.3	-54.2	-27.3	0	0	0	110.6	S852 C854 K860 Y906 G907	S852-D856 PolarHBondContact O-N 2.92Å; S852-D856 VanDerWaalsContact O-OD2 3.1Å; S852-D856 PolarHBondContact OG-OD2 3.05Å; S852-D856 VanDerWaalsContact OG-OD2 3.05Å; C854-D856 VanDerWaalsContact C-N 3.34Å; D856-K860 WeakPolarHBondContact O-CB 3.41Å; D856-K860 PolarHBondContact O-N 2.75Å; D856-Y906 WeakPolarHBondContact OD1-CD2 3.49Å; D856-Y906 WeakPolarHBondContact OD1-CE2 3.18Å; D856-G907 WeakPolarHBondContact OD2-CA 3.46Å; D856-G907 PolarHBondContact OD2-N 3.47Å
857	R	94.5	Very high	93.2	Very high	117 Å²	117	48.6 Å²	48.6	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-49.9	173.9	179.6	168.5	63.7	-135.5	3.9	112.9	D825 E853 C854 F855 A861	D825-R857 IonicContact OD2-CZ 3.91Å; D825-R857 IonicContact OD2-NE 2.88Å; D825-R857 IonicContact OD2-NH2 3.42Å; D825-R857 PolarHBondContact OD2-NH2 3.41Å; E853-R857 WeakPolarHBondContact O-CB 3.44Å; E853-R857 PolarHBondContact O-N 3.1Å; C854-R857 PolarHBondContact O-N 3.34Å; C854-R857 PolarHBondContact SG-NH2 3.34Å; F855-R857 VanDerWaalsContact C-N 3.34Å; F855-R857 PolarHBondContact O-N 3.16Å; R857-A861 WeakPolarHBondContact O-CB 3.41Å; R857-A861 PolarHBondContact O-N 2.73Å
858	H	95	Very high	93.1	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-72	-32.8	-179.7	-72.6	-61.9	0	0	0	112.5	D825 A838 L840 C854 F855 A861 Y862 F900	D825-H858 VanDerWaalsContact CG-NE2 3.34Å; D825-H858 IonicContact OD1-NE2 3.47Å; D825-H858 IonicContact OD2-CD2 2.69Å; D825-H858 IonicContact OD2-CE1 3.12Å; D825-H858 IonicContact OD2-NE2 2.7Å; D825-H858 PolarHBondContact OD2-NE2 3.34Å; A838-H858 HydrophobicContact CB-CB 4.08Å; L840-H858 VanDerWaalsContact CD2-NE2 3.29Å; L840-H858 WeakPolarHBondContact CD2-NE2 3.31Å; C854-H858 PolarHBondContact O-CD2 2.89Å; C854-H858 PolarHBondContact O-N 3.07Å; F855-H858 PolarHBondContact O-N 3.23Å; H858-A861 PolarHBondContact O-N 3.29Å; H858-Y862 PolarHBondContact O-N 3.46Å; H858-F900 HydrophobicContact CB-CE1 4.45Å
859	Y	94.5	Very high	92.8	Very high	73 Å²	73	47.5 Å²	47.5	29%	0.286	24%	0.242	S	C	.	.	H	α-helix	trans	-72	-36	175.9	-173.6	-119.9	0	0	0	112	F855 Y862 K863 F900	F855-Y859 HydrophobicContact CE1-CD1 4.42Å; F855-Y859 HydrophobicContact CE1-CG 4.18Å; F855-Y859 HydrophobicContact CZ-CG 4.45Å; F855-Y859 WeakPolarHBondContact O-CB 3.24Å; F855-Y859 PolarHBondContact O-N 3.18Å; Y859-Y862 HydrophobicContact CD2-CD1 4.13Å; Y859-Y862 HydrophobicContact CE2-CD1 4.12Å; Y859-Y862 PolarHBondContact O-N 2.68Å; Y859-K863 HydrophobicContact CE1-CD 4.34Å; Y859-K863 PolarHBondContact O-N 3.5Å; Y859-K863 WeakPolarHBondContact OH-CE 3.47Å; Y859-F900 AromaticContact CD2-CD1 3.97Å; Y859-F900 HydrophobicContact CD2-CD1 3.97Å; Y859-F900 HydrophobicContact CD2-CD2 4.49Å; Y859-F900 HydrophobicContact CD2-CE1 4.12Å; Y859-F900 HydrophobicContact CD2-CG 4.17Å; Y859-F900 HydrophobicContact CD2-CZ 4.47Å
860	K	93.4	Very high	92.3	Very high	130 Å²	130	50.6 Å²	50.6	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-61.9	-51.1	166.7	179.6	173.1	176.5	-179.9	0	111	D856 Y862 K863 D864	D856-K860 WeakPolarHBondContact O-CB 3.41Å; D856-K860 PolarHBondContact O-N 2.75Å; K860-Y862 PolarHBondContact O-N 3.09Å; K860-Y862 VanDerWaalsContact O-N 3.11Å; K860-K863 PolarHBondContact O-N 3.07Å; K860-D864 WeakPolarHBondContact CE-OD2 3.36Å; K860-D864 VanDerWaalsContact CG-OD2 3.28Å; K860-D864 WeakPolarHBondContact CG-OD2 3.34Å; K860-D864 WeakPolarHBondContact O-CB 3.42Å; K860-D864 VanDerWaalsContact O-CG 3.25Å; K860-D864 PolarHBondContact O-N 2.84Å
861	A	92.4	Very high	91.8	Very high	20 Å²	20	58.7 Å²	58.7	17%	0.165	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-28.3	178	0	0	0	0	0	113.6	R857 H858 G865 V866 L867	R857-A861 WeakPolarHBondContact O-CB 3.41Å; R857-A861 PolarHBondContact O-N 2.73Å; H858-A861 PolarHBondContact O-N 3.29Å; A861-G865 PolarHBondContact O-N 3.45Å; A861-V866 HydrophobicContact CB-CG2 4.01Å; A861-V866 WeakPolarHBondContact O-CG2 3.42Å; A861-V866 PolarHBondContact O-N 3.15Å; A861-L867 HydrophobicContact CB-CB 4.04Å; A861-L867 HydrophobicContact CB-CD1 4.26Å; A861-L867 WeakPolarHBondContact O-CB 2.98Å; A861-L867 PolarHBondContact O-N 3.24Å
862	Y	92.8	Very high	91.3	Very high	57 Å²	57	60.1 Å²	60.1	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-72.1	-46.9	170.9	167.8	-119.3	0	0	0	112.7	H858 Y859 K860 D864 G865 F868 P896 R897 F900	H858-Y862 PolarHBondContact O-N 3.46Å; Y859-Y862 HydrophobicContact CD2-CD1 4.13Å; Y859-Y862 HydrophobicContact CE2-CD1 4.12Å; Y859-Y862 PolarHBondContact O-N 2.68Å; K860-Y862 PolarHBondContact O-N 3.09Å; K860-Y862 VanDerWaalsContact O-N 3.11Å; Y862-D864 VanDerWaalsContact C-N 3.32Å; Y862-D864 PolarHBondContact O-N 3.46Å; Y862-G865 PolarHBondContact O-N 3.4Å; Y862-G865 VanDerWaalsContact O-N 3.12Å; Y862-F868 HydrophobicContact CD2-CD2 4.34Å; Y862-F868 AromaticContact CD2-CE2 3.89Å; Y862-F868 HydrophobicContact CD2-CE2 3.89Å; Y862-F868 HydrophobicContact CE2-CE2 4.42Å; Y862-P896 HydrophobicContact CD2-CB 4.45Å; Y862-P896 HydrophobicContact CE2-CB 3.76Å; Y862-P896 HydrophobicContact CE2-CG 3.89Å; Y862-R897 WeakPolarHBondContact OH-CG 3.29Å; Y862-F900 HydrophobicContact CD1-CD2 4.34Å; Y862-F900 AromaticContact CD1-CE2 3.72Å; Y862-F900 HydrophobicContact CD1-CE2 3.72Å; Y862-F900 HydrophobicContact CD1-CZ 4.18Å; Y862-F900 HydrophobicContact CD2-CE2 4.31Å; Y862-F900 HydrophobicContact CE1-CE2 4.33Å; Y862-F900 AromaticContact CG-CE2 3.72Å; Y862-F900 HydrophobicContact CG-CE2 3.72Å; Y862-F900 AromaticContact CG-CZ 3.96Å; Y862-F900 HydrophobicContact CG-CZ 3.96Å
863	K	90.4	Very high	90.9	Very high	144 Å²	144	63.2 Å²	63.2	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-39.7	175.1	-77.5	-174.9	170.7	-173.8	0	112.7	Y859 K860 G865	Y859-K863 HydrophobicContact CE1-CD 4.34Å; Y859-K863 PolarHBondContact O-N 3.5Å; Y859-K863 WeakPolarHBondContact OH-CE 3.47Å; K860-K863 PolarHBondContact O-N 3.07Å; K863-G865 PolarHBondContact O-N 2.84Å
864	D	91.1	Very high	90.6	Very high	93 Å²	93	63.6 Å²	63.6	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-0.4	178.3	-60	-2.5	0	0	0	112.3	K860 Y862 V866	K860-D864 WeakPolarHBondContact CE-OD2 3.36Å; K860-D864 VanDerWaalsContact CG-OD2 3.28Å; K860-D864 WeakPolarHBondContact CG-OD2 3.34Å; K860-D864 WeakPolarHBondContact O-CB 3.42Å; K860-D864 VanDerWaalsContact O-CG 3.25Å; K860-D864 PolarHBondContact O-N 2.84Å; Y862-D864 VanDerWaalsContact C-N 3.32Å; Y862-D864 PolarHBondContact O-N 3.46Å; D864-V866 HydrophobicContact CB-CG2 4.2Å; D864-V866 PolarHBondContact O-N 3.41Å
865	G	87.6	Confident	90.1	Very high	54 Å²	54	68.5 Å²	68.5	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-2.1	177.4	0	0	0	0	0	116	A861 Y862 K863	A861-G865 PolarHBondContact O-N 3.45Å; Y862-G865 PolarHBondContact O-N 3.4Å; Y862-G865 VanDerWaalsContact O-N 3.12Å; K863-G865 PolarHBondContact O-N 2.84Å
866	V	90.5	Very high	89.3	Confident	98 Å²	98	72.8 Å²	72.8	59%	0.594	38%	0.377	S	S	*	.			trans	-90.9	-10	-170.8	-63.2	0	0	0	0	115.4	A861 D864	A861-V866 HydrophobicContact CB-CG2 4.01Å; A861-V866 WeakPolarHBondContact O-CG2 3.42Å; A861-V866 PolarHBondContact O-N 3.15Å; D864-V866 HydrophobicContact CB-CG2 4.2Å; D864-V866 PolarHBondContact O-N 3.41Å
867	L	89.1	Confident	88.4	Confident	22 Å²	22	78.3 Å²	78.3	12%	0.115	42%	0.418	C	S	.	.	S	Bend	trans	-69.7	-40.2	-174.5	-176.8	62.6	0	0	0	113.9	P839 F845 A861 F900	P839-L867 HydrophobicContact CG-CD2 4.02Å; F845-L867 VanDerWaalsContact CE1-O 3.27Å; F845-L867 WeakPolarHBondContact CE1-O 3.38Å; A861-L867 HydrophobicContact CB-CB 4.04Å; A861-L867 HydrophobicContact CB-CD1 4.26Å; A861-L867 WeakPolarHBondContact O-CB 2.98Å; A861-L867 PolarHBondContact O-N 3.24Å; L867-F900 HydrophobicContact CD2-CZ 3.83Å
868	F	91.1	Very high	87.7	Confident	15 Å²	15	77.5 Å²	77.5	7%	0.066	42%	0.422	C	S	.	.	S	Bend	trans	-104.3	124.5	-175.3	-64	-78.5	0	0	0	110.6	P839 F845 Y862 M873 V883 P896 L899	P839-F868 HydrophobicContact CB-CE1 4.42Å; P839-F868 HydrophobicContact CB-CZ 4.33Å; P839-F868 HydrophobicContact CG-CE1 4.38Å; P839-F868 HydrophobicContact CG-CZ 3.84Å; F845-F868 HydrophobicContact CB-CE1 4.15Å; F845-F868 AromaticContact CD1-CD1 3.93Å; F845-F868 HydrophobicContact CD1-CD1 3.93Å; F845-F868 HydrophobicContact CD1-CE1 4.03Å; F845-F868 HydrophobicContact CE1-CD1 4.45Å; F845-F868 HydrophobicContact CG-CD1 4.25Å; F845-F868 HydrophobicContact CG-CE1 4.31Å; Y862-F868 HydrophobicContact CD2-CD2 4.34Å; Y862-F868 AromaticContact CD2-CE2 3.89Å; Y862-F868 HydrophobicContact CD2-CE2 3.89Å; Y862-F868 HydrophobicContact CE2-CE2 4.42Å; F868-M873 HydrophobicContact CB-CG 4.24Å; F868-V883 HydrophobicContact CB-CG1 4.31Å; F868-V883 HydrophobicContact CD1-CB 4.16Å; F868-V883 HydrophobicContact CD1-CG1 3.89Å; F868-V883 HydrophobicContact CD1-CG2 4.45Å; F868-V883 HydrophobicContact CD2-CG1 4.01Å; F868-V883 HydrophobicContact CE1-CB 4.17Å; F868-V883 HydrophobicContact CE1-CG1 4.14Å; F868-V883 HydrophobicContact CE1-CG2 3.95Å; F868-V883 HydrophobicContact CE2-CG1 4.26Å; F868-V883 HydrophobicContact CG-CG1 3.81Å; F868-V883 HydrophobicContact CZ-CG1 4.32Å; F868-V883 HydrophobicContact CZ-CG2 4.1Å; F868-P896 HydrophobicContact CE2-CB 3.77Å; F868-P896 HydrophobicContact CZ-CB 4.04Å; F868-L899 HydrophobicContact CE1-CD1 4.23Å; F868-L899 HydrophobicContact CZ-CD1 4Å
869	P	87.7	Confident	86.9	Confident	50 Å²	50	84.7 Å²	84.7	33%	0.325	46%	0.456	S	S	.	.			trans	-60.4	139.2	171.5	-23.9	34.6	0	0	0	111	F845 K871 N872	F845-P869 HydrophobicContact CE2-CG 4.29Å; F845-P869 VanDerWaalsContact CZ-CD 3.46Å; F845-P869 HydrophobicContact CZ-CG 3.98Å; P869-K871 HydrophobicContact CB-CD 4.4Å; P869-K871 HydrophobicContact CB-CG 3.84Å; P869-K871 PolarHBondContact O-N 3.03Å; P869-N872 WeakPolarHBondContact O-CA 3.3Å; P869-N872 WeakPolarHBondContact O-CB 3.47Å; P869-N872 PolarHBondContact O-N 2.84Å
870	S	84.1	Confident	86.3	Confident	104 Å²	104	83.9 Å²	83.9	73%	0.727	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-54.3	-33.6	-175.3	-37.7	0	0	0	0	113.7	N872 M873	S870-N872 PolarHBondContact O-N 2.94Å; S870-M873 PolarHBondContact O-N 3.42Å
871	K	85.8	Confident	85.8	Confident	169 Å²	169	81.4 Å²	81.4	74%	0.735	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-59.5	-19.4	173	61.1	172.1	-173.8	-174.8	0	115.2	P869	P869-K871 HydrophobicContact CB-CD 4.4Å; P869-K871 HydrophobicContact CB-CG 3.84Å; P869-K871 PolarHBondContact O-N 3.03Å
872	N	85	Confident	85.7	Confident	31 Å²	31	82 Å²	82	17%	0.166	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-95.1	-17.5	176	-75.8	69.7	0	0	0	111.9	P869 S870 V883 K884	P869-N872 WeakPolarHBondContact O-CA 3.3Å; P869-N872 WeakPolarHBondContact O-CB 3.47Å; P869-N872 PolarHBondContact O-N 2.84Å; S870-N872 PolarHBondContact O-N 2.94Å; N872-V883 WeakPolarHBondContact O-CA 3.27Å; N872-K884 PolarHBondContact ND2-O 3.36Å; N872-K884 WeakPolarHBondContact O-CB 3.47Å; N872-K884 PolarHBondContact O-N 3.33Å
873	M	86	Confident	85.6	Confident	65 Å²	65	79.4 Å²	79.4	32%	0.32	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	153.7	180	-60.3	170	75.1	0	0	111.1	F868 S870 I881 L882	F868-M873 HydrophobicContact CB-CG 4.24Å; S870-M873 PolarHBondContact O-N 3.42Å; M873-I881 HydrophobicContact CE-CD1 4.35Å; M873-I881 HydrophobicContact CE-CG2 3.71Å; M873-L882 CarbonylContact C-O 3.49Å; M873-L882 WeakPolarHBondContact CA-O 3.43Å
874	I	85.8	Confident	85.6	Confident	44 Å²	44	76.6 Å²	76.6	23%	0.226	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.8	169.4	-42.5	177.1	0	0	0	106.3	I881 L882 K884 I893	I874-I881 CarbonylContact O-C 3.58Å; I874-I881 WeakPolarHBondContact O-CA 3.17Å; I874-L882 HydrophobicContact CB-CB 4.39Å; I874-L882 PolarHBondContact N-O 3.08Å; I874-L882 PolarHBondContact O-N 3.05Å; I874-K884 HydrophobicContact CD1-CD 4.33Å; I874-K884 VanDerWaalsContact CD1-CE 3.49Å; I874-K884 HydrophobicContact CD1-CG 3.98Å; I874-K884 HydrophobicContact CG1-CD 4.31Å; I874-K884 HydrophobicContact CG1-CG 4.19Å; I874-I893 HydrophobicContact CD1-CD1 3.79Å; I874-I893 HydrophobicContact CD1-CG1 4.07Å; I874-I893 HydrophobicContact CD1-CG2 3.66Å
875	V	83.2	Confident	85.5	Confident	104 Å²	104	72.5 Å²	72.5	63%	0.63	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	129	169.1	-173	0	0	0	0	107.4	T880	V875-T880 WeakPolarHBondContact CA-O 3.27Å
876	Q	81.4	Confident	85.3	Confident	95 Å²	95	70.8 Å²	70.8	44%	0.444	39%	0.389	S	S	.	.			trans	-91.4	171	174.1	-62.8	-161.8	-71.3	0	0	111	D878 E879 T880 L882	Q876-D878 VanDerWaalsContact CB-OD1 3.23Å; Q876-D878 WeakPolarHBondContact CB-OD1 3.46Å; Q876-D878 PolarHBondContact O-N 3.37Å; Q876-E879 PolarHBondContact O-N 3.27Å; Q876-T880 PolarHBondContact N-O 2.63Å; Q876-T880 PolarHBondContact OE1-OG1 3.21Å; Q876-L882 HydrophobicContact CG-CD1 4.19Å
877	S	74.9	Confident	84.8	Confident	137 Å²	137	72.5 Å²	72.5	96%	0.958	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.6	-177.6	49.9	0	0	0	0	114.8
878	D	80.6	Confident	83.8	Confident	100 Å²	100	82.4 Å²	82.4	54%	0.535	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	20.4	176.3	65.5	-9.9	0	0	0	112.2	Q876 T880	Q876-D878 VanDerWaalsContact CB-OD1 3.23Å; Q876-D878 WeakPolarHBondContact CB-OD1 3.46Å; Q876-D878 PolarHBondContact O-N 3.37Å; D878-T880 PolarHBondContact O-N 2.98Å; D878-T880 VanDerWaalsContact O-N 3.08Å; D878-T880 WeakPolarHBondContact OD1-CB 3.41Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.48Å; D878-T880 PolarHBondContact OD1-N 3.12Å; D878-T880 PolarHBondContact OD1-OG1 3.34Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.47Å; D878-T880 PolarHBondContact OD2-OG1 3.46Å
879	E	76.7	Confident	82.7	Confident	173 Å²	173	88.9 Å²	88.9	81%	0.808	46%	0.46	S	S	*	.	S	Bend	trans	62.5	3.1	-174	-51.6	-169.6	151.7	0	0	115.4	Q876	Q876-E879 PolarHBondContact O-N 3.27Å
880	T	82.3	Confident	82	Confident	57 Å²	57	92.5 Å²	92.5	35%	0.35	48%	0.476	S	S	.	.			trans	-72	142.7	179.4	66.7	0	0	0	0	112.2	V875 Q876 D878	V875-T880 WeakPolarHBondContact CA-O 3.27Å; Q876-T880 PolarHBondContact N-O 2.63Å; Q876-T880 PolarHBondContact OE1-OG1 3.21Å; D878-T880 PolarHBondContact O-N 2.98Å; D878-T880 VanDerWaalsContact O-N 3.08Å; D878-T880 WeakPolarHBondContact OD1-CB 3.41Å; D878-T880 WeakPolarHBondContact OD1-CG2 3.48Å; D878-T880 PolarHBondContact OD1-N 3.12Å; D878-T880 PolarHBondContact OD1-OG1 3.34Å; D878-T880 WeakPolarHBondContact OD2-CG2 3.47Å; D878-T880 PolarHBondContact OD2-OG1 3.46Å
881	I	84.3	Confident	81.8	Confident	78 Å²	78	94.3 Å²	94.3	40%	0.4	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.6	-176.5	-55.3	179.9	0	0	0	109.7	M873 I874 P896	M873-I881 HydrophobicContact CE-CD1 4.35Å; M873-I881 HydrophobicContact CE-CG2 3.71Å; I874-I881 CarbonylContact O-C 3.58Å; I874-I881 WeakPolarHBondContact O-CA 3.17Å; I881-P896 WeakPolarHBondContact O-CD 3.4Å
882	L	89.3	Confident	81.9	Confident	33 Å²	33	91.9 Å²	91.9	17%	0.173	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	157	172.8	-57.2	179.1	0	0	0	110.7	M873 I874 Q876 I893 D895	M873-L882 CarbonylContact C-O 3.49Å; M873-L882 WeakPolarHBondContact CA-O 3.43Å; I874-L882 HydrophobicContact CB-CB 4.39Å; I874-L882 PolarHBondContact N-O 3.08Å; I874-L882 PolarHBondContact O-N 3.05Å; Q876-L882 HydrophobicContact CG-CD1 4.19Å; L882-I893 HydrophobicContact CB-CG2 3.79Å; L882-I893 HydrophobicContact CD1-CG2 3.83Å; L882-I893 HydrophobicContact CG-CG2 4.44Å; L882-D895 HydrophobicContact CD2-CB 4.18Å
883	V	90.7	Very high	82	Confident	1 Å²	1	95.1 Å²	95.1	1%	0.006	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.8	178.3	-66.4	0	0	0	0	112.4	F868 N872 I885 I893 V894 P896 L899	F868-V883 HydrophobicContact CB-CG1 4.31Å; F868-V883 HydrophobicContact CD1-CB 4.16Å; F868-V883 HydrophobicContact CD1-CG1 3.89Å; F868-V883 HydrophobicContact CD1-CG2 4.45Å; F868-V883 HydrophobicContact CD2-CG1 4.01Å; F868-V883 HydrophobicContact CE1-CB 4.17Å; F868-V883 HydrophobicContact CE1-CG1 4.14Å; F868-V883 HydrophobicContact CE1-CG2 3.95Å; F868-V883 HydrophobicContact CE2-CG1 4.26Å; F868-V883 HydrophobicContact CG-CG1 3.81Å; F868-V883 HydrophobicContact CZ-CG1 4.32Å; F868-V883 HydrophobicContact CZ-CG2 4.1Å; N872-V883 WeakPolarHBondContact O-CA 3.27Å; V883-I885 HydrophobicContact CG2-CG2 4.09Å; V883-I893 WeakPolarHBondContact O-CA 3.45Å; V883-V894 WeakPolarHBondContact CG2-O 3.26Å; V883-V894 PolarHBondContact N-O 2.89Å; V883-V894 PolarHBondContact O-N 2.98Å; V883-P896 HydrophobicContact CG1-CB 4.15Å; V883-P896 HydrophobicContact CG1-CG 4.34Å; V883-P896 HydrophobicContact CG2-CB 3.88Å; V883-L899 HydrophobicContact CG2-CD1 3.74Å
884	K	89.9	Confident	82.2	Confident	85 Å²	85	92.8 Å²	92.8	37%	0.37	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.7	170.7	-66.7	166.7	179.9	156	0	108.8	N872 I874 E892 I893	N872-K884 PolarHBondContact ND2-O 3.36Å; N872-K884 WeakPolarHBondContact O-CB 3.47Å; N872-K884 PolarHBondContact O-N 3.33Å; I874-K884 HydrophobicContact CD1-CD 4.33Å; I874-K884 VanDerWaalsContact CD1-CE 3.49Å; I874-K884 HydrophobicContact CD1-CG 3.98Å; I874-K884 HydrophobicContact CG1-CD 4.31Å; I874-K884 HydrophobicContact CG1-CG 4.19Å; K884-E892 WeakPolarHBondContact CA-O 3.23Å; K884-I893 HydrophobicContact CG-CG1 4.23Å
885	I	89.4	Confident	82.4	Confident	8 Å²	8	92.7 Å²	92.7	4%	0.041	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	166.8	177.6	68.3	174.7	0	0	0	110.8	F845 V883 K891 E892 V894 L899	F845-I885 HydrophobicContact CB-CB 4.37Å; F845-I885 HydrophobicContact CB-CG2 3.86Å; V883-I885 HydrophobicContact CG2-CG2 4.09Å; I885-K891 WeakPolarHBondContact O-CA 3.3Å; I885-E892 HydrophobicContact CD1-CB 4.38Å; I885-E892 HydrophobicContact CG1-CB 3.87Å; I885-E892 PolarHBondContact N-O 3.45Å; I885-E892 PolarHBondContact O-N 3.06Å; I885-V894 HydrophobicContact CD1-CB 4.42Å; I885-V894 HydrophobicContact CD1-CG2 3.67Å; I885-V894 HydrophobicContact CG1-CG2 4.06Å; I885-L899 HydrophobicContact CD1-CD1 4.49Å; I885-L899 HydrophobicContact CD1-CD2 3.75Å; I885-L899 HydrophobicContact CG2-CD1 3.95Å
886	G	83.1	Confident	82.6	Confident	18 Å²	18	87.9 Å²	87.9	19%	0.186	44%	0.439	C	S	.	.	S	Bend	trans	86.2	176.4	175.2	0	0	0	0	0	114.8	D844 D890	D844-G886 PolarHBondContact O-N 3.18Å; G886-D890 WeakPolarHBondContact CA-O 3.41Å
887	K	80.3	Confident	83	Confident	133 Å²	133	92.4 Å²	92.4	58%	0.578	45%	0.452	S	S	*	.			trans	-79.3	169.1	-172.6	-73.9	179.4	176.8	177.2	0	111.4	D844 N889 D890 K891	D844-K887 HydrophobicContact CB-CG 4.48Å; D844-K887 WeakPolarHBondContact OD2-CE 3.44Å; D844-K887 WeakPolarHBondContact OD2-CG 3.46Å; K887-N889 PolarHBondContact O-N 3.02Å; K887-D890 PolarHBondContact N-O 3.44Å; K887-D890 CarbonylContact O-C 3.55Å; K887-D890 VanDerWaalsContact O-C 3.29Å; K887-D890 PolarHBondContact O-N 2.91Å; K887-K891 WeakPolarHBondContact O-CG 3.37Å; K887-K891 PolarHBondContact O-N 2.86Å
888	R	68.9	Low	83.8	Confident	230 Å²	230	92.7 Å²	92.7	87%	0.868	44%	0.436	S	S	*	.	S	Bend	trans	-50	-33.7	-176.8	-77.4	-172	178.3	179.3	-0.3	114.6
889	N	67.4	Low	84.4	Confident	152 Å²	152	88.3 Å²	88.3	81%	0.813	41%	0.413	S	S	*	.	S	Bend	trans	-93.8	-27.1	-176.7	-57.5	17.1	0	0	0	112.6	K887	K887-N889 PolarHBondContact O-N 3.02Å
890	D	72.4	Confident	85.3	Confident	125 Å²	125	81.1 Å²	81.1	67%	0.668	38%	0.379	S	S	*	.	S	Bend	trans	-119.7	62.9	-174.8	-51.1	-63.6	0	0	0	108.9	G886 K887	G886-D890 WeakPolarHBondContact CA-O 3.41Å; K887-D890 PolarHBondContact N-O 3.44Å; K887-D890 CarbonylContact O-C 3.55Å; K887-D890 VanDerWaalsContact O-C 3.29Å; K887-D890 PolarHBondContact O-N 2.91Å
891	K	80.3	Confident	85.9	Confident	143 Å²	143	84.7 Å²	84.7	62%	0.622	39%	0.389	S	S	*	.			trans	-90.2	119.7	178.5	-71.1	-167.6	-177.9	175.6	0	111	I885 K887	I885-K891 WeakPolarHBondContact O-CA 3.3Å; K887-K891 WeakPolarHBondContact O-CG 3.37Å; K887-K891 PolarHBondContact O-N 2.86Å
892	E	87.7	Confident	86.4	Confident	117 Å²	117	83.7 Å²	83.7	55%	0.547	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.1	173.1	-153.5	-173.7	162.3	0	0	109.8	K884 I885 V894	K884-E892 WeakPolarHBondContact CA-O 3.23Å; I885-E892 HydrophobicContact CD1-CB 4.38Å; I885-E892 HydrophobicContact CG1-CB 3.87Å; I885-E892 PolarHBondContact N-O 3.45Å; I885-E892 PolarHBondContact O-N 3.06Å; E892-V894 HydrophobicContact CB-CG2 3.89Å; E892-V894 HydrophobicContact CG-CG2 3.53Å; E892-V894 WeakPolarHBondContact OE1-CG2 3.24Å
893	I	88.1	Confident	86.6	Confident	99 Å²	99	82.6 Å²	82.6	51%	0.508	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	170.6	-61.7	173.7	0	0	0	106.6	I874 L882 V883 K884	I874-I893 HydrophobicContact CD1-CD1 3.79Å; I874-I893 HydrophobicContact CD1-CG1 4.07Å; I874-I893 HydrophobicContact CD1-CG2 3.66Å; L882-I893 HydrophobicContact CB-CG2 3.79Å; L882-I893 HydrophobicContact CD1-CG2 3.83Å; L882-I893 HydrophobicContact CG-CG2 4.44Å; V883-I893 WeakPolarHBondContact O-CA 3.45Å; K884-I893 HydrophobicContact CG-CG1 4.23Å
894	V	89.1	Confident	86.6	Confident	16 Å²	16	88 Å²	88	10%	0.097	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.1	-169.3	-164	0	0	0	0	110.5	V883 I885 E892 K898 L899	V883-V894 WeakPolarHBondContact CG2-O 3.26Å; V883-V894 PolarHBondContact N-O 2.89Å; V883-V894 PolarHBondContact O-N 2.98Å; I885-V894 HydrophobicContact CD1-CB 4.42Å; I885-V894 HydrophobicContact CD1-CG2 3.67Å; I885-V894 HydrophobicContact CG1-CG2 4.06Å; E892-V894 HydrophobicContact CB-CG2 3.89Å; E892-V894 HydrophobicContact CG-CG2 3.53Å; E892-V894 WeakPolarHBondContact OE1-CG2 3.24Å; V894-K898 HydrophobicContact CG1-CB 4.24Å; V894-L899 HydrophobicContact CB-CD2 4.22Å; V894-L899 HydrophobicContact CG1-CD2 3.91Å; V894-L899 HydrophobicContact CG1-CG 4.44Å
895	D	90	Very high	86.7	Confident	42 Å²	42	85.5 Å²	85.5	23%	0.225	41%	0.411	C	S	.	.			trans	-61.4	120.2	163.2	159.8	17.8	0	0	0	109.2	L882 R897 K898	L882-D895 HydrophobicContact CD2-CB 4.18Å; D895-R897 PolarHBondContact O-N 2.8Å; D895-R897 VanDerWaalsContact O-N 3.09Å; D895-R897 WeakPolarHBondContact OD1-CB 3.21Å; D895-R897 VanDerWaalsContact OD1-CG 3.29Å; D895-R897 WeakPolarHBondContact OD1-CG 3.49Å; D895-R897 PolarHBondContact OD1-N 2.98Å; D895-K898 HydrophobicContact CB-CD 4Å; D895-K898 HydrophobicContact CB-CG 4.17Å; D895-K898 WeakPolarHBondContact O-CB 3.5Å; D895-K898 PolarHBondContact O-N 3.48Å; D895-K898 WeakPolarHBondContact OD2-CE 3.21Å; D895-K898 WeakPolarHBondContact OD2-CG 3.46Å
896	P	88.8	Confident	86.7	Confident	4 Å²	4	91 Å²	91	3%	0.026	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-59.5	-25.3	-176.1	24.1	-33.5	0	0	0	113.2	Y862 F868 I881 V883 K898 L899 F900	Y862-P896 HydrophobicContact CD2-CB 4.45Å; Y862-P896 HydrophobicContact CE2-CB 3.76Å; Y862-P896 HydrophobicContact CE2-CG 3.89Å; F868-P896 HydrophobicContact CE2-CB 3.77Å; F868-P896 HydrophobicContact CZ-CB 4.04Å; I881-P896 WeakPolarHBondContact O-CD 3.4Å; V883-P896 HydrophobicContact CG1-CB 4.15Å; V883-P896 HydrophobicContact CG1-CG 4.34Å; V883-P896 HydrophobicContact CG2-CB 3.88Å; P896-K898 VanDerWaalsContact C-N 3.29Å; P896-K898 PolarHBondContact O-N 3.13Å; P896-L899 WeakPolarHBondContact O-CB 3.01Å; P896-L899 PolarHBondContact O-N 3.3Å; P896-L899 VanDerWaalsContact O-N 3.16Å; P896-F900 WeakPolarHBondContact O-CD2 3.35Å
897	R	89.6	Confident	87	Confident	190 Å²	190	91.8 Å²	91.8	72%	0.717	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.7	-38.4	176.4	-58.3	172.4	177.9	-176.3	2	111.2	Y862 D895 L899 F900	Y862-R897 WeakPolarHBondContact OH-CG 3.29Å; D895-R897 PolarHBondContact O-N 2.8Å; D895-R897 VanDerWaalsContact O-N 3.09Å; D895-R897 WeakPolarHBondContact OD1-CB 3.21Å; D895-R897 VanDerWaalsContact OD1-CG 3.29Å; D895-R897 WeakPolarHBondContact OD1-CG 3.49Å; D895-R897 PolarHBondContact OD1-N 2.98Å; R897-L899 PolarHBondContact O-N 3Å; R897-F900 PolarHBondContact O-N 2.62Å
898	K	91.7	Very high	87.5	Confident	143 Å²	143	88.4 Å²	88.4	62%	0.622	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-68	-16.1	179.1	-61.9	175.7	-170.5	174.2	0	113	K847 V894 D895 P896 F900	K847-K898 PolarHBondContact NZ-O 3.02Å; V894-K898 HydrophobicContact CG1-CB 4.24Å; D895-K898 HydrophobicContact CB-CD 4Å; D895-K898 HydrophobicContact CB-CG 4.17Å; D895-K898 WeakPolarHBondContact O-CB 3.5Å; D895-K898 PolarHBondContact O-N 3.48Å; D895-K898 WeakPolarHBondContact OD2-CE 3.21Å; D895-K898 WeakPolarHBondContact OD2-CG 3.46Å; P896-K898 VanDerWaalsContact C-N 3.29Å; P896-K898 PolarHBondContact O-N 3.13Å; K898-F900 VanDerWaalsContact C-N 3.32Å
899	L	92	Very high	88.5	Confident	8 Å²	8	83.9 Å²	83.9	4%	0.042	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-78.1	-16.7	178.2	-55.7	179.8	0	0	0	113.2	P839 K847 F868 V883 I885 V894 P896 R897	P839-L899 HydrophobicContact CB-CB 4.08Å; P839-L899 HydrophobicContact CB-CD1 4.04Å; P839-L899 HydrophobicContact CG-CB 3.87Å; P839-L899 HydrophobicContact CG-CD1 4.26Å; K847-L899 VanDerWaalsContact CD-O 3.31Å; K847-L899 WeakPolarHBondContact CD-O 3.36Å; K847-L899 WeakPolarHBondContact CE-O 3.37Å; K847-L899 VanDerWaalsContact CG-O 3.31Å; K847-L899 WeakPolarHBondContact CG-O 3.45Å; F868-L899 HydrophobicContact CE1-CD1 4.23Å; F868-L899 HydrophobicContact CZ-CD1 4Å; V883-L899 HydrophobicContact CG2-CD1 3.74Å; I885-L899 HydrophobicContact CD1-CD1 4.49Å; I885-L899 HydrophobicContact CD1-CD2 3.75Å; I885-L899 HydrophobicContact CG2-CD1 3.95Å; V894-L899 HydrophobicContact CB-CD2 4.22Å; V894-L899 HydrophobicContact CG1-CD2 3.91Å; V894-L899 HydrophobicContact CG1-CG 4.44Å; P896-L899 WeakPolarHBondContact O-CB 3.01Å; P896-L899 PolarHBondContact O-N 3.3Å; P896-L899 VanDerWaalsContact O-N 3.16Å; R897-L899 PolarHBondContact O-N 3Å
900	F	95.2	Very high	89.4	Confident	21 Å²	21	78.5 Å²	78.5	9%	0.092	38%	0.378	C	S	.	.			trans	-90.9	153.6	176	-66.7	-85.7	0	0	0	112.2	Q837 A838 P839 K847 F855 H858 Y859 Y862 L867 P896 R897 K898	Q837-F900 CarbonylContact O-C 3.6Å; Q837-F900 WeakPolarHBondContact O-CA 3.49Å; A838-F900 HydrophobicContact CB-CD1 4.1Å; A838-F900 HydrophobicContact CB-CE1 4.01Å; P839-F900 HydrophobicContact CG-CE1 4.46Å; P839-F900 HydrophobicContact CG-CE2 4.15Å; P839-F900 HydrophobicContact CG-CZ 3.93Å; K847-F900 PolarHBondContact NZ-O 3.07Å; F855-F900 HydrophobicContact CD2-CD1 4.38Å; F855-F900 HydrophobicContact CE2-CB 3.95Å; F855-F900 AromaticContact CE2-CD1 3.69Å; F855-F900 HydrophobicContact CE2-CD1 3.69Å; F855-F900 HydrophobicContact CE2-CG 4.32Å; F855-F900 HydrophobicContact CZ-CB 4.12Å; F855-F900 HydrophobicContact CZ-CD1 4.03Å; H858-F900 HydrophobicContact CB-CE1 4.45Å; Y859-F900 AromaticContact CD2-CD1 3.97Å; Y859-F900 HydrophobicContact CD2-CD1 3.97Å; Y859-F900 HydrophobicContact CD2-CD2 4.49Å; Y859-F900 HydrophobicContact CD2-CE1 4.12Å; Y859-F900 HydrophobicContact CD2-CG 4.17Å; Y859-F900 HydrophobicContact CD2-CZ 4.47Å; Y862-F900 HydrophobicContact CD1-CD2 4.34Å; Y862-F900 AromaticContact CD1-CE2 3.72Å; Y862-F900 HydrophobicContact CD1-CE2 3.72Å; Y862-F900 HydrophobicContact CD1-CZ 4.18Å; Y862-F900 HydrophobicContact CD2-CE2 4.31Å; Y862-F900 HydrophobicContact CE1-CE2 4.33Å; Y862-F900 AromaticContact CG-CE2 3.72Å; Y862-F900 HydrophobicContact CG-CE2 3.72Å; Y862-F900 AromaticContact CG-CZ 3.96Å; Y862-F900 HydrophobicContact CG-CZ 3.96Å; L867-F900 HydrophobicContact CD2-CZ 3.83Å; P896-F900 WeakPolarHBondContact O-CD2 3.35Å; R897-F900 PolarHBondContact O-N 2.62Å; K898-F900 VanDerWaalsContact C-N 3.32Å
901	K	95.6	Very high	89.9	Confident	133 Å²	133	74.5 Å²	74.5	58%	0.578	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-152.5	114.2	160.8	-177.5	170.4	-178	166	0	107.8	G836 Q837 F855	G836-K901 CarbonylContact C-O 3.48Å; G836-K901 VanDerWaalsContact CA-O 3.25Å; G836-K901 WeakPolarHBondContact CA-O 3.48Å; Q837-K901 HydrophobicContact CB-CB 4.07Å; Q837-K901 HydrophobicContact CG-CB 4.37Å; Q837-K901 PolarHBondContact N-O 2.6Å; Q837-K901 PolarHBondContact O-N 3.21Å; F855-K901 VanDerWaalsContact CE2-C 3.44Å; F855-K901 VanDerWaalsContact CE2-O 3.28Å; F855-K901 WeakPolarHBondContact CE2-O 3.43Å
902	A	94.1	Very high	89.8	Confident	56 Å²	56	72 Å²	72	46%	0.463	35%	0.347	S	S	.	.			trans	-62.8	147	-179.1	0	0	0	0	0	111.6	F855 Y906	F855-A902 HydrophobicContact CE1-CB 4.02Å; F855-A902 HydrophobicContact CZ-CB 3.98Å; A902-Y906 HydrophobicContact CB-CD2 4.44Å
903	P	93.5	Very high	88.9	Confident	10 Å²	10	67.9 Å²	67.9	7%	0.065	33%	0.33	C	S	.	.			trans	-65.6	163.2	162.4	32.1	-36.6	0	0	0	110.6	F833	F833-P903 WeakPolarHBondContact O-CB 3.33Å
904	V	92.3	Very high	88	Confident	114 Å²	114	68.7 Å²	68.7	69%	0.691	33%	0.332	S	S	*	.	S	Bend	trans	-70.5	-42	169.2	-179.9	0	0	0	0	109.9	F833 Y906	F833-V904 HydrophobicContact CB-CB 4.27Å; F833-V904 HydrophobicContact CD1-CB 4.4Å; F833-V904 HydrophobicContact CD1-CG1 4.48Å; F833-V904 HydrophobicContact CD1-CG2 4.38Å; F833-V904 PolarHBondContact O-N 3.45Å; V904-Y906 VanDerWaalsContact C-N 3.32Å; V904-Y906 PolarHBondContact O-N 3.34Å
905	N	90.9	Very high	87.2	Confident	33 Å²	33	72.6 Å²	72.6	18%	0.176	35%	0.349	C	S	.	.	S	Bend	trans	-90.1	69.1	176	-67	33.4	0	0	0	109.5	F833 S852 F908	F833-N905 WeakPolarHBondContact CB-OD1 3.3Å; F833-N905 PolarHBondContact O-N 3.43Å; S852-N905 VanDerWaalsContact CB-O 3.29Å; S852-N905 WeakPolarHBondContact CB-O 3.49Å; S852-N905 PolarHBondContact OG-O 3.34Å; N905-F908 HydrophobicContact CB-CD1 4.05Å; N905-F908 HydrophobicContact CB-CD2 3.78Å; N905-F908 HydrophobicContact CB-CE1 4.12Å; N905-F908 HydrophobicContact CB-CE2 3.89Å; N905-F908 HydrophobicContact CB-CG 3.9Å; N905-F908 HydrophobicContact CB-CZ 4.05Å; N905-F908 WeakPolarHBondContact ND2-CE2 3.48Å
906	Y	90.2	Very high	86.1	Confident	123 Å²	123	72.4 Å²	72.4	48%	0.482	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	150.4	177.2	-177.6	-89.7	0	0	0	112	S852 F855 D856 A902 V904 F908	S852-Y906 WeakPolarHBondContact OG-CA 3.32Å; F855-Y906 HydrophobicContact CD1-CD2 4.09Å; F855-Y906 AromaticContact CD1-CE2 3.8Å; F855-Y906 HydrophobicContact CD1-CE2 3.8Å; F855-Y906 HydrophobicContact CE1-CD2 4.18Å; F855-Y906 AromaticContact CE1-CE2 3.78Å; F855-Y906 HydrophobicContact CE1-CE2 3.78Å; D856-Y906 WeakPolarHBondContact OD1-CD2 3.49Å; D856-Y906 WeakPolarHBondContact OD1-CE2 3.18Å; A902-Y906 HydrophobicContact CB-CD2 4.44Å; V904-Y906 VanDerWaalsContact C-N 3.32Å; V904-Y906 PolarHBondContact O-N 3.34Å; Y906-F908 WeakPolarHBondContact O-CD1 3.05Å; Y906-F908 PolarHBondContact O-N 2.87Å
907	G	88.7	Confident	85.3	Confident	35 Å²	35	78 Å²	78	36%	0.361	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-3.3	-176.5	0	0	0	0	0	116	S852 D856	S852-G907 PolarHBondContact OG-N 3.06Å; D856-G907 WeakPolarHBondContact OD2-CA 3.46Å; D856-G907 PolarHBondContact OD2-N 3.47Å
908	F	90.3	Very high	84.5	Confident	62 Å²	62	72 Å²	72	27%	0.272	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72.2	135	-177.1	-80.7	37	0	0	0	111.1	M807 E808 C810 S852 E853 N905 Y906	M807-F908 HydrophobicContact CB-CB 4.38Å; M807-F908 HydrophobicContact CB-CD2 4.48Å; M807-F908 HydrophobicContact CE-CB 4.4Å; M807-F908 WeakPolarHBondContact CE-O 3.44Å; E808-F908 WeakPolarHBondContact O-CD2 3.41Å; E808-F908 WeakPolarHBondContact O-CE2 3.3Å; C810-F908 HydrophobicContact CB-CD2 4.1Å; C810-F908 HydrophobicContact CB-CE2 4.11Å; S852-F908 WeakPolarHBondContact CB-O 3.43Å; S852-F908 PolarHBondContact OG-N 3.28Å; E853-F908 PolarHBondContact N-O 3.12Å; N905-F908 HydrophobicContact CB-CD1 4.05Å; N905-F908 HydrophobicContact CB-CD2 3.78Å; N905-F908 HydrophobicContact CB-CE1 4.12Å; N905-F908 HydrophobicContact CB-CE2 3.89Å; N905-F908 HydrophobicContact CB-CG 3.9Å; N905-F908 HydrophobicContact CB-CZ 4.05Å; N905-F908 WeakPolarHBondContact ND2-CE2 3.48Å; Y906-F908 WeakPolarHBondContact O-CD1 3.05Å; Y906-F908 PolarHBondContact O-N 2.87Å
909	R	91.2	Very high	83.7	Confident	135 Å²	135	68.8 Å²	68.8	51%	0.509	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-93.3	164.9	-178	-61	-60.4	176.5	169.4	-1.8	113.4	M807 E808 E853 R911	M807-R909 CarbonylContact C-O 3.47Å; M807-R909 WeakPolarHBondContact CA-O 3.34Å; M807-R909 VanDerWaalsContact CE-C 3.49Å; M807-R909 VanDerWaalsContact CE-O 3.3Å; M807-R909 WeakPolarHBondContact CE-O 3.46Å; E808-R909 PolarHBondContact N-O 3.47Å; E853-R909 WeakPolarHBondContact OE2-CA 3.26Å; E853-R909 WeakPolarHBondContact OE2-CD 3.49Å; R909-R911 PolarHBondContact O-N 3.02Å
910	H	86	Confident	83.3	Confident	40 Å²	40	69 Å²	69	19%	0.185	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-63.6	125.1	162.8	-63.3	133.4	0	0	0	109.7	C826 W828 C851 E853	C826-H910 PolarHBondContact SG-NE2 3.43Å; C826-H910 VanDerWaalsContact SG-NE2 3.39Å; W828-H910 HydrophobicContact CD2-CB 4.37Å; W828-H910 AromaticContact CD2-CD2 3.27Å; W828-H910 AromaticContact CD2-CG 3.92Å; W828-H910 AromaticContact CD2-NE2 3.92Å; W828-H910 AromaticContact CE2-CD2 3.72Å; W828-H910 AromaticContact CE2-CG 3.89Å; W828-H910 HydrophobicContact CE3-CB 4.19Å; W828-H910 AromaticContact CE3-CD2 3.28Å; W828-H910 AromaticContact CG-CD2 3.75Å; W828-H910 AromaticContact CG-NE2 3.89Å; W828-H910 HydrophobicContact CH2-CB 3.53Å; W828-H910 HydrophobicContact CZ2-CB 3.7Å; W828-H910 HydrophobicContact CZ3-CB 3.73Å; W828-H910 AromaticContact CZ3-CD2 3.75Å; C851-H910 PolarHBondContact SG-NE2 2.95Å; E853-H910 IonicContact OE1-CE1 2.68Å; E853-H910 PolarHBondContact OE1-CE1 2.78Å; E853-H910 IonicContact OE1-CG 3.81Å; E853-H910 IonicContact OE1-ND1 3.82Å; E853-H910 PolarHBondContact OE1-ND1 3.41Å; E853-H910 IonicContact OE2-CE1 2.79Å; E853-H910 IonicContact OE2-CG 2.77Å; E853-H910 PolarHBondContact OE2-N 3.07Å; E853-H910 IonicContact OE2-ND1 3.75Å; E853-H910 PolarHBondContact OE2-ND1 2.81Å
911	R	82.5	Confident	82.9	Confident	41 Å²	41	70.7 Å²	70.7	16%	0.155	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.6	143.7	174.2	178.2	-162.2	-57.4	-164.5	-11.6	110.5	E804 C805 L806 E808 W828 R909 V913 L957	E804-R911 IonicContact OE1-CZ 2.77Å; E804-R911 VanDerWaalsContact OE1-CZ 3.31Å; E804-R911 IonicContact OE1-NH1 3.48Å; E804-R911 PolarHBondContact OE1-NH1 3.4Å; E804-R911 IonicContact OE1-NH2 3.46Å; E804-R911 PolarHBondContact OE1-NH2 3.2Å; C805-R911 PolarHBondContact O-NH2 3.16Å; L806-R911 WeakPolarHBondContact O-CB 3.47Å; L806-R911 PolarHBondContact O-NE 3.33Å; E808-R911 HydrophobicContact CB-CB 4.38Å; W828-R911 HydrophobicContact CH2-CB 4.4Å; W828-R911 WeakPolarHBondContact CH2-O 3.42Å; R909-R911 PolarHBondContact O-N 3.02Å; R911-V913 PolarHBondContact O-N 3.39Å; R911-V913 VanDerWaalsContact O-N 3.15Å; R911-L957 PolarHBondContact NH1-O 3.18Å; R911-L957 VanDerWaalsContact NH1-O 3.15Å
912	N	78.6	Confident	82.6	Confident	89 Å²	89	64.8 Å²	64.8	48%	0.476	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.7	116.5	168.4	-165.6	-26.5	0	0	0	110.1	E914 E915	N912-E914 PolarHBondContact OD1-N 3.42Å; N912-E915 HydrophobicContact CB-CB 4.25Å; N912-E915 PolarHBondContact OD1-N 3.36Å
913	V	69.2	Low	82.3	Confident	32 Å²	32	64.2 Å²	64.2	19%	0.194	32%	0.319	C	S	.	.	S	Bend	trans	-94.5	-26.4	179.6	175.1	0	0	0	0	111.5	W828 R911 L957	W828-V913 HydrophobicContact CH2-CG2 4.02Å; W828-V913 HydrophobicContact CZ2-CG2 4.18Å; R911-V913 PolarHBondContact O-N 3.39Å; R911-V913 VanDerWaalsContact O-N 3.15Å; V913-L957 HydrophobicContact CG1-CD1 4.02Å; V913-L957 HydrophobicContact CG1-CD2 3.63Å; V913-L957 HydrophobicContact CG1-CG 4.23Å; V913-L957 HydrophobicContact CG2-CD1 4.34Å
914	E	68.1	Low	81.9	Confident	115 Å²	115	64.5 Å²	64.5	54%	0.537	32%	0.324	S	S	.	.	S	Bend	trans	-83.8	-32.3	-172.2	-74.9	143.3	-147.8	0	0	112.3	N912 K916 R917 A918	N912-E914 PolarHBondContact OD1-N 3.42Å; E914-K916 VanDerWaalsContact C-N 3.26Å; E914-K916 PolarHBondContact O-N 2.58Å; E914-R917 WeakPolarHBondContact O-CA 3.47Å; E914-R917 WeakPolarHBondContact O-CB 3.26Å; E914-R917 PolarHBondContact O-N 3.38Å; E914-A918 PolarHBondContact O-N 3.17Å
915	E	72.3	Confident	81.7	Confident	99 Å²	99	64.2 Å²	64.2	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-48.9	-45.5	174.4	179.8	-178.5	179.3	0	0	112.6	N912 R917 A918 Q919	N912-E915 HydrophobicContact CB-CB 4.25Å; N912-E915 PolarHBondContact OD1-N 3.36Å; E915-R917 PolarHBondContact O-N 3.39Å; E915-A918 PolarHBondContact O-N 3.23Å; E915-A918 VanDerWaalsContact O-N 3.11Å; E915-Q919 VanDerWaalsContact CG-NE2 3.32Å; E915-Q919 WeakPolarHBondContact O-CG 3.17Å; E915-Q919 PolarHBondContact O-N 2.75Å; E915-Q919 PolarHBondContact OE1-NE2 2.9Å
916	K	68.2	Low	81.7	Confident	37 Å²	37	62.7 Å²	62.7	16%	0.161	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-33.3	177.6	-177.8	-178.2	177.2	-177.5	0	112.8	E914 L942 Y953 E956 D958	E914-K916 VanDerWaalsContact C-N 3.26Å; E914-K916 PolarHBondContact O-N 2.58Å; K916-L942 HydrophobicContact CG-CD2 3.97Å; K916-Y953 VanDerWaalsContact CE-CE2 3.42Å; K916-Y953 VanDerWaalsContact CE-CZ 3.41Å; K916-Y953 VanDerWaalsContact NZ-CD1 3.27Å; K916-Y953 VanDerWaalsContact NZ-CG 3.33Å; K916-E956 PolarHBondContact NZ-O 2.87Å; K916-D958 PolarHBondContact NZ-O 2.85Å
917	R	70.7	Confident	81.6	Confident	122 Å²	122	58.3 Å²	58.3	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-80	-41.3	174.3	-68.4	178.9	175.7	167.4	-4.2	110.8	E914 E915 Q919 S920 F923 E956	E914-R917 WeakPolarHBondContact O-CA 3.47Å; E914-R917 WeakPolarHBondContact O-CB 3.26Å; E914-R917 PolarHBondContact O-N 3.38Å; E915-R917 PolarHBondContact O-N 3.39Å; R917-Q919 VanDerWaalsContact C-N 3.28Å; R917-Q919 PolarHBondContact O-N 3.46Å; R917-S920 WeakPolarHBondContact O-CB 3.22Å; R917-S920 PolarHBondContact O-N 3.2Å; R917-S920 PolarHBondContact O-OG 3.29Å; R917-F923 HydrophobicContact CG-CD1 4.16Å; R917-F923 HydrophobicContact CG-CE1 4.47Å; R917-E956 IonicContact CZ-OE1 2.58Å; R917-E956 IonicContact NE-OE1 3.17Å; R917-E956 IonicContact NH2-OE1 3.95Å; R917-E956 PolarHBondContact NH2-OE1 3.4Å
918	A	74.3	Confident	81.4	Confident	65 Å²	65	57 Å²	57	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-37.7	179.4	0	0	0	0	0	112.8	E914 E915 S920 R945	E914-A918 PolarHBondContact O-N 3.17Å; E915-A918 PolarHBondContact O-N 3.23Å; E915-A918 VanDerWaalsContact O-N 3.11Å; A918-S920 PolarHBondContact O-N 3.11Å; A918-R945 PolarHBondContact O-NH1 3.09Å; A918-R945 PolarHBondContact O-NH2 2.85Å
919	Q	74.9	Confident	80.7	Confident	74 Å²	74	55.7 Å²	55.7	35%	0.346	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.5	176	-67.5	170.5	5.7	0	0	114.5	E915 R917 R945	E915-Q919 VanDerWaalsContact CG-NE2 3.32Å; E915-Q919 WeakPolarHBondContact O-CG 3.17Å; E915-Q919 PolarHBondContact O-N 2.75Å; E915-Q919 PolarHBondContact OE1-NE2 2.9Å; R917-Q919 VanDerWaalsContact C-N 3.28Å; R917-Q919 PolarHBondContact O-N 3.46Å; Q919-R945 WeakPolarHBondContact O-CB 3.18Å; Q919-R945 PolarHBondContact O-N 2.91Å
920	S	83	Confident	79.2	Confident	14 Å²	14	51.8 Å²	51.8	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146	-177.4	74.4	0	0	0	0	113.8	R917 A918 L943 R945	R917-S920 WeakPolarHBondContact O-CB 3.22Å; R917-S920 PolarHBondContact O-N 3.2Å; R917-S920 PolarHBondContact O-OG 3.29Å; A918-S920 PolarHBondContact O-N 3.11Å; S920-L943 CarbonylContact C-O 3.54Å; S920-L943 WeakPolarHBondContact CA-O 3.35Å; S920-R945 PolarHBondContact O-NH2 2.91Å
921	I	86.5	Confident	77.6	Confident	55 Å²	55	56.9 Å²	56.9	28%	0.282	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-46.3	167.5	-58.4	-179.6	0	0	0	109.4	L943 R945 L948 A1017 K1021	I921-L943 HydrophobicContact CB-CB 4.45Å; I921-L943 HydrophobicContact CB-CD2 4.35Å; I921-L943 HydrophobicContact CB-CG 4.37Å; I921-L943 HydrophobicContact CD1-CD2 4.09Å; I921-L943 HydrophobicContact CD1-CG 4.18Å; I921-L943 PolarHBondContact N-O 3.04Å; I921-R945 HydrophobicContact CD1-CG 4.39Å; I921-R945 HydrophobicContact CG1-CB 3.98Å; I921-R945 HydrophobicContact CG1-CG 4.05Å; I921-L948 HydrophobicContact CD1-CD2 4.24Å; I921-A1017 HydrophobicContact CG2-CB 3.82Å; I921-K1021 HydrophobicContact CD1-CG 4.43Å
922	V	88.8	Confident	76	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.1	173	59.5	0	0	0	0	108.7	L942 L943 K1013 W1014 A1017	V922-L942 CarbonylContact O-C 3.58Å; V922-L942 WeakPolarHBondContact O-CA 3.49Å; V922-L942 WeakPolarHBondContact O-CB 2.94Å; V922-L943 HydrophobicContact CG1-CB 3.91Å; V922-L943 PolarHBondContact O-N 3.27Å; V922-K1013 HydrophobicContact CG2-CB 3.92Å; V922-W1014 HydrophobicContact CG1-CD2 3.98Å; V922-W1014 HydrophobicContact CG1-CE3 3.53Å; V922-W1014 HydrophobicContact CG1-CH2 4.04Å; V922-W1014 HydrophobicContact CG1-CZ2 4.44Å; V922-W1014 HydrophobicContact CG1-CZ3 3.57Å; V922-W1014 HydrophobicContact CG2-CD2 3.94Å; V922-W1014 HydrophobicContact CG2-CE3 4.37Å; V922-W1014 HydrophobicContact CG2-CG 4.18Å; V922-W1014 HydrophobicContact CG2-CZ2 4.39Å; V922-A1017 HydrophobicContact CB-CB 3.9Å; V922-A1017 HydrophobicContact CG1-CB 3.51Å
923	F	87.7	Confident	74.4	Confident	44 Å²	44	58.5 Å²	58.5	19%	0.193	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141	173.2	175.1	-120.7	0	0	0	109.7	R917 H940 A941 L942 E956	R917-F923 HydrophobicContact CG-CD1 4.16Å; R917-F923 HydrophobicContact CG-CE1 4.47Å; F923-H940 HydrophobicContact CE2-CB 3.95Å; F923-H940 HydrophobicContact CZ-CB 4.2Å; F923-A941 WeakPolarHBondContact CA-O 3.48Å; F923-A941 VanDerWaalsContact CD2-O 3.28Å; F923-A941 WeakPolarHBondContact CD2-O 3.49Å; F923-L942 HydrophobicContact CB-CB 4.2Å; F923-L942 HydrophobicContact CD2-CB 3.81Å; F923-L942 HydrophobicContact CD2-CD2 4.44Å; F923-L942 HydrophobicContact CG-CB 4.45Å; F923-E956 HydrophobicContact CE1-CG 3.55Å; F923-E956 HydrophobicContact CZ-CB 4.5Å; F923-E956 HydrophobicContact CZ-CG 3.46Å; F923-E956 VanDerWaalsContact CZ-CG 3.46Å
924	G	85.5	Confident	73.8	Confident	15 Å²	15	67.6 Å²	67.6	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	172.2	174.5	0	0	0	0	0	114.5	H940 A941	G924-H940 CarbonylContact O-C 3.55Å; G924-H940 WeakPolarHBondContact O-CA 3.29Å; G924-A941 PolarHBondContact N-O 3.39Å; G924-A941 PolarHBondContact O-N 3.16Å
925	R	88	Confident	73.3	Confident	109 Å²	109	64.2 Å²	64.2	41%	0.411	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.3	167.9	-175.5	-176.3	177.3	-152.7	-1.3	109.6	Y927 V938 D1006	R925-Y927 PolarHBondContact NH1-OH 3.06Å; R925-Y927 PolarHBondContact NH2-OH 2.82Å; R925-V938 HydrophobicContact CG-CG1 3.9Å; R925-D1006 IonicContact NH1-OD2 3.84Å; R925-D1006 PolarHBondContact NH1-OD2 2.82Å
926	V	90.4	Very high	73.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.8	177.4	-58.8	0	0	0	0	110.6	V938 R939 A941 F952 F1003 R1004 V1005 W1014	V926-V938 WeakPolarHBondContact O-CA 3.39Å; V926-R939 HydrophobicContact CG2-CB 4.3Å; V926-R939 PolarHBondContact N-O 3.22Å; V926-R939 PolarHBondContact O-N 3.06Å; V926-R939 VanDerWaalsContact O-O 3.09Å; V926-A941 HydrophobicContact CG1-CB 3.96Å; V926-A941 HydrophobicContact CG2-CB 3.71Å; V926-F952 HydrophobicContact CG2-CD1 4.1Å; V926-F952 HydrophobicContact CG2-CE1 4.03Å; V926-F1003 HydrophobicContact CB-CB 4.47Å; V926-F1003 HydrophobicContact CB-CD2 3.78Å; V926-F1003 HydrophobicContact CB-CE2 4.43Å; V926-F1003 HydrophobicContact CB-CG 4.41Å; V926-F1003 HydrophobicContact CG1-CD2 3.65Å; V926-F1003 HydrophobicContact CG1-CE2 3.79Å; V926-R1004 WeakPolarHBondContact CA-O 3.45Å; V926-V1005 HydrophobicContact CG1-CG2 4.3Å; V926-W1014 HydrophobicContact CG1-CZ2 3.86Å
927	Y	88.7	Confident	74	Confident	31 Å²	31	62 Å²	62	12%	0.122	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	94.6	174.8	-59	-103.6	0	0	0	107.1	R925 T937 V938 F1003 R1004 D1006	R925-Y927 PolarHBondContact NH1-OH 3.06Å; R925-Y927 PolarHBondContact NH2-OH 2.82Å; Y927-T937 CarbonylContact C-O 3.52Å; Y927-T937 WeakPolarHBondContact CA-O 3.49Å; Y927-V938 HydrophobicContact CD1-CG2 4.01Å; Y927-V938 HydrophobicContact CE1-CG2 3.84Å; Y927-F1003 CarbonylContact O-C 3.59Å; Y927-F1003 VanDerWaalsContact O-CA 3.28Å; Y927-F1003 WeakPolarHBondContact O-CA 3.33Å; Y927-R1004 PolarHBondContact N-O 3.29Å; Y927-R1004 PolarHBondContact O-N 3.42Å; Y927-D1006 HydrophobicContact CE2-CB 3.77Å; Y927-D1006 VanDerWaalsContact CE2-OD2 3.24Å; Y927-D1006 WeakPolarHBondContact CE2-OD2 3.36Å; Y927-D1006 PolarHBondContact OH-OD2 2.99Å
928	L	85.1	Confident	74.7	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127	-175.9	-179.3	61.3	0	0	0	110	F930 T937 R939 F952 F1003	L928-F930 HydrophobicContact CD2-CE2 3.56Å; L928-F930 HydrophobicContact CD2-CZ 3.89Å; L928-F930 HydrophobicContact CG-CD2 4.31Å; L928-F930 HydrophobicContact CG-CE2 3.82Å; L928-F930 HydrophobicContact CG-CZ 4.48Å; L928-T937 PolarHBondContact N-O 2.87Å; L928-T937 PolarHBondContact O-N 2.83Å; L928-T937 PolarHBondContact O-OG1 2.62Å; L928-T937 VanDerWaalsContact O-OG1 3.11Å; L928-R939 HydrophobicContact CB-CG 4.37Å; L928-F952 HydrophobicContact CD1-CE1 3.93Å; L928-F952 HydrophobicContact CD1-CZ 4.09Å; L928-F952 HydrophobicContact CD2-CD1 3.95Å; L928-F952 HydrophobicContact CD2-CE1 4.03Å; L928-F952 HydrophobicContact CD2-CG 4.32Å; L928-F952 HydrophobicContact CD2-CZ 4.45Å; L928-F952 HydrophobicContact CG-CE1 4.4Å; L928-F1003 HydrophobicContact CD1-CB 4.12Å
929	S	74.2	Confident	75.3	Confident	34 Å²	34	56.5 Å²	56.5	24%	0.238	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	177.2	68.8	0	0	0	0	110.5	S1002	S929-S1002 PolarHBondContact N-O 3.02Å; S929-S1002 WeakPolarHBondContact OG-CB 3.44Å; S929-S1002 PolarHBondContact OG-O 2.86Å; S929-S1002 PolarHBondContact OG-OG 3.27Å
930	F	60.5	Low	76	Confident	52 Å²	52	54.6 Å²	54.6	23%	0.228	26%	0.259	C	S	.	.			trans	-103.9	125.8	172.7	-78.6	-97.7	0	0	0	109.6	N37 L928 S932 R933	N37-F930 WeakPolarHBondContact ND2-CE2 3.45Å; N37-F930 WeakPolarHBondContact OD1-CD2 3.36Å; L928-F930 HydrophobicContact CD2-CE2 3.56Å; L928-F930 HydrophobicContact CD2-CZ 3.89Å; L928-F930 HydrophobicContact CG-CD2 4.31Å; L928-F930 HydrophobicContact CG-CE2 3.82Å; L928-F930 HydrophobicContact CG-CZ 4.48Å; F930-S932 PolarHBondContact O-N 3.45Å; F930-R933 PolarHBondContact O-N 2.88Å
931	R	53.2	Low	76.4	Confident	147 Å²	147	53.9 Å²	53.9	56%	0.555	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	3	-169.8	-110.1	169.6	155.2	-165.1	-4.1	119.3	D998	R931-D998 PolarHBondContact NH1-O 3.49Å; R931-D998 PolarHBondContact NH2-O 2.88Å
932	S	48.7	Very low	76.6	Confident	67 Å²	67	51.6 Å²	51.6	47%	0.469	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	11.3	-179.2	48.6	0	0	0	0	114.2	F39 F930	F39-S932 WeakPolarHBondContact CB-OG 3.44Å; F39-S932 WeakPolarHBondContact CD2-OG 3.33Å; F39-S932 WeakPolarHBondContact CG-OG 3.39Å; F930-S932 PolarHBondContact O-N 3.45Å
933	R	45.3	Very low	76.7	Confident	97 Å²	97	51.1 Å²	51.1	37%	0.366	24%	0.24	S	C	.	.			trans	-137	147.1	168	-63.5	-174	166.8	-146.5	-10.7	111.1	G35 D36 R38 F39 F930 T935	G35-R933 PolarHBondContact O-NH1 3.15Å; D36-R933 VanDerWaalsContact C-NH1 3.34Å; D36-R933 VanDerWaalsContact O-CD 3.28Å; D36-R933 WeakPolarHBondContact O-CD 3.46Å; D36-R933 PolarHBondContact O-NH1 3.08Å; R38-R933 PolarHBondContact O-NE 2.71Å; F39-R933 HydrophobicContact CD2-CG 4.24Å; F930-R933 PolarHBondContact O-N 2.88Å; R933-T935 VanDerWaalsContact CB-OG1 3.26Å; R933-T935 WeakPolarHBondContact CB-OG1 3.32Å; R933-T935 PolarHBondContact O-N 2.81Å
934	K	55.1	Low	76.7	Confident	223 Å²	223	51 Å²	51	97%	0.97	24%	0.238	S	C	*	.	S	Bend	trans	-79.9	18	172.1	-70.1	-166.9	173.8	-169	0	113.3
935	T	58.8	Low	76.6	Confident	45 Å²	45	56.4 Å²	56.4	28%	0.276	25%	0.254	S	S	.	.			trans	-109.7	117.3	-175.9	39.8	0	0	0	0	109.6	D36 R933	D36-T935 HydrophobicContact CB-CG2 4.38Å; D36-T935 PolarHBondContact O-OG1 2.89Å; R933-T935 VanDerWaalsContact CB-OG1 3.26Å; R933-T935 WeakPolarHBondContact CB-OG1 3.32Å; R933-T935 PolarHBondContact O-N 2.81Å
936	E	74.5	Confident	76.3	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	155.6	168.3	-64.8	-174.2	138.4	0	0	110.8	R1004	E936-R1004 IonicContact OE1-CZ 2.67Å; E936-R1004 IonicContact OE1-NE 3.92Å; E936-R1004 PolarHBondContact OE1-NE 3.3Å; E936-R1004 IonicContact OE1-NH2 3.07Å; E936-R1004 IonicContact OE2-CZ 3.78Å; E936-R1004 IonicContact OE2-NE 3.43Å; E936-R1004 PolarHBondContact OE2-NE 3.4Å; E936-R1004 IonicContact OE2-NH2 3.6Å; E936-R1004 PolarHBondContact OE2-NH2 3.44Å
937	T	80.7	Confident	75.9	Confident	8 Å²	8	59.3 Å²	59.3	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.7	171.1	48.9	0	0	0	0	113	D36 N37 Y927 L928 R939	D36-T937 HydrophobicContact CB-CG2 4.23Å; N37-T937 HydrophobicContact CB-CG2 3.69Å; N37-T937 WeakPolarHBondContact ND2-CG2 3.39Å; N37-T937 PolarHBondContact ND2-OG1 3.11Å; Y927-T937 CarbonylContact C-O 3.52Å; Y927-T937 WeakPolarHBondContact CA-O 3.49Å; L928-T937 PolarHBondContact N-O 2.87Å; L928-T937 PolarHBondContact O-N 2.83Å; L928-T937 PolarHBondContact O-OG1 2.62Å; L928-T937 VanDerWaalsContact O-OG1 3.11Å; T937-R939 PolarHBondContact O-N 2.9Å
938	V	84.3	Confident	75.7	Confident	55 Å²	55	59.6 Å²	59.6	33%	0.333	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.2	173.2	-180	0	0	0	0	109.4	R925 V926 Y927	R925-V938 HydrophobicContact CG-CG1 3.9Å; V926-V938 WeakPolarHBondContact O-CA 3.39Å; Y927-V938 HydrophobicContact CD1-CG2 4.01Å; Y927-V938 HydrophobicContact CE1-CG2 3.84Å
939	R	88.5	Confident	75.8	Confident	17 Å²	17	62.2 Å²	62.2	6%	0.064	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	165.9	172.5	-62.7	-65.2	176.6	-101.6	7.3	108.6	D33 D34 V926 L928 T937 F952 Y953	D33-R939 PolarHBondContact O-NH2 2.9Å; D34-R939 IonicContact OD1-CZ 3.31Å; D34-R939 IonicContact OD1-NH2 2.77Å; D34-R939 PolarHBondContact OD1-NH2 3.21Å; V926-R939 HydrophobicContact CG2-CB 4.3Å; V926-R939 PolarHBondContact N-O 3.22Å; V926-R939 PolarHBondContact O-N 3.06Å; V926-R939 VanDerWaalsContact O-O 3.09Å; L928-R939 HydrophobicContact CB-CG 4.37Å; T937-R939 PolarHBondContact O-N 2.9Å; R939-F952 HydrophobicContact CB-CD1 4.37Å; R939-Y953 WeakPolarHBondContact CA-O 3.29Å; R939-Y953 WeakPolarHBondContact CB-O 3.16Å; R939-Y953 WeakPolarHBondContact CD-O 3.4Å
940	H	89.2	Confident	76.5	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	171.4	-67.3	80.8	0	0	0	108.3	F923 G924 F952 Y953 K954	F923-H940 HydrophobicContact CE2-CB 3.95Å; F923-H940 HydrophobicContact CZ-CB 4.2Å; G924-H940 CarbonylContact O-C 3.55Å; G924-H940 WeakPolarHBondContact O-CA 3.29Å; H940-F952 CarbonylContact O-C 3.59Å; H940-F952 WeakPolarHBondContact O-CA 3.19Å; H940-Y953 PolarHBondContact N-O 3.39Å; H940-Y953 PolarHBondContact O-N 3.03Å; H940-K954 PolarHBondContact ND1-O 3.04Å
941	A	90.4	Very high	77.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.8	-176	0	0	0	0	0	111.5	F923 G924 V926 L950 V951 F952 W1014	F923-A941 WeakPolarHBondContact CA-O 3.48Å; F923-A941 VanDerWaalsContact CD2-O 3.28Å; F923-A941 WeakPolarHBondContact CD2-O 3.49Å; G924-A941 PolarHBondContact N-O 3.39Å; G924-A941 PolarHBondContact O-N 3.16Å; V926-A941 HydrophobicContact CG1-CB 3.96Å; V926-A941 HydrophobicContact CG2-CB 3.71Å; A941-L950 HydrophobicContact CB-CD1 4.5Å; A941-V951 CarbonylContact C-O 3.59Å; A941-V951 VanDerWaalsContact CA-O 3.27Å; A941-V951 WeakPolarHBondContact CA-O 3.49Å; A941-F952 HydrophobicContact CB-CD1 3.74Å; A941-F952 HydrophobicContact CB-CE1 3.87Å; A941-F952 HydrophobicContact CB-CG 4.44Å; A941-W1014 HydrophobicContact CB-CH2 3.7Å; A941-W1014 HydrophobicContact CB-CZ2 3.92Å; A941-W1014 WeakPolarHBondContact O-CZ2 3.33Å
942	L	90.9	Very high	79.6	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.8	164.3	59.6	88.9	0	0	0	111.7	K916 V922 F923 R944 V951 Y953	K916-L942 HydrophobicContact CG-CD2 3.97Å; V922-L942 CarbonylContact O-C 3.58Å; V922-L942 WeakPolarHBondContact O-CA 3.49Å; V922-L942 WeakPolarHBondContact O-CB 2.94Å; F923-L942 HydrophobicContact CB-CB 4.2Å; F923-L942 HydrophobicContact CD2-CB 3.81Å; F923-L942 HydrophobicContact CD2-CD2 4.44Å; F923-L942 HydrophobicContact CG-CB 4.45Å; L942-R944 HydrophobicContact CD1-CB 3.85Å; L942-V951 HydrophobicContact CD1-CB 3.93Å; L942-V951 HydrophobicContact CD1-CG2 4.18Å; L942-V951 HydrophobicContact CG-CB 4.21Å; L942-V951 PolarHBondContact N-O 2.96Å; L942-V951 PolarHBondContact O-N 3.33Å; L942-Y953 HydrophobicContact CD2-CE2 3.66Å; L942-Y953 HydrophobicContact CG-CE2 4.01Å
943	L	90.6	Very high	81.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.3	159.3	178.8	56.4	0	0	0	108.3	S920 I921 V922 I967 A1017	S920-L943 CarbonylContact C-O 3.54Å; S920-L943 WeakPolarHBondContact CA-O 3.35Å; I921-L943 HydrophobicContact CB-CB 4.45Å; I921-L943 HydrophobicContact CB-CD2 4.35Å; I921-L943 HydrophobicContact CB-CG 4.37Å; I921-L943 HydrophobicContact CD1-CD2 4.09Å; I921-L943 HydrophobicContact CD1-CG 4.18Å; I921-L943 PolarHBondContact N-O 3.04Å; V922-L943 HydrophobicContact CG1-CB 3.91Å; V922-L943 PolarHBondContact O-N 3.27Å; L943-I967 HydrophobicContact CD1-CD1 3.69Å; L943-I967 HydrophobicContact CD1-CG1 4.29Å; L943-A1017 HydrophobicContact CD2-CB 4.4Å
944	R	88	Confident	83.2	Confident	43 Å²	43	45.4 Å²	45.4	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.1	179.6	-170.2	-176.6	-64.8	131.7	-3.6	109.7	L942 D947 L948 K949 E964	L942-R944 HydrophobicContact CD1-CB 3.85Å; R944-D947 WeakPolarHBondContact CB-OD1 3.33Å; R944-D947 WeakPolarHBondContact CD-OD1 3.17Å; R944-D947 IonicContact CZ-OD2 3.7Å; R944-D947 IonicContact NH1-OD1 2.7Å; R944-D947 IonicContact NH1-OD2 2.78Å; R944-D947 PolarHBondContact NH1-OD2 2.74Å; R944-L948 PolarHBondContact O-N 2.64Å; R944-K949 PolarHBondContact N-O 3.25Å; R944-E964 IonicContact CZ-OE1 2.81Å; R944-E964 IonicContact CZ-OE2 3.52Å; R944-E964 IonicContact NH1-OE1 3.83Å; R944-E964 IonicContact NH1-OE2 3.18Å; R944-E964 PolarHBondContact NH1-OE2 2.8Å; R944-E964 IonicContact NH2-OE1 2.71Å; R944-E964 PolarHBondContact NH2-OE1 3Å; R944-E964 IonicContact NH2-OE2 3.82Å; R944-E964 PolarHBondContact NH2-OE2 2.77Å
945	R	84.2	Confident	84.6	Confident	128 Å²	128	34.9 Å²	34.9	48%	0.483	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.1	-172.3	-169	177.8	-61.2	107.9	2.9	113.5	A918 Q919 S920 I921	A918-R945 PolarHBondContact O-NH1 3.09Å; A918-R945 PolarHBondContact O-NH2 2.85Å; Q919-R945 WeakPolarHBondContact O-CB 3.18Å; Q919-R945 PolarHBondContact O-N 2.91Å; S920-R945 PolarHBondContact O-NH2 2.91Å; I921-R945 HydrophobicContact CD1-CG 4.39Å; I921-R945 HydrophobicContact CG1-CB 3.98Å; I921-R945 HydrophobicContact CG1-CG 4.05Å
946	D	80.7	Confident	85.7	Confident	123 Å²	123	34.8 Å²	34.8	66%	0.658	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-27.5	-162.9	-39.7	-52.6	0	0	0	113.8
947	D	83.5	Confident	86.2	Confident	46 Å²	46	31.7 Å²	31.7	25%	0.246	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	3.3	-172.5	68.7	2.8	0	0	0	114.3	R944 K949 L966	R944-D947 WeakPolarHBondContact CB-OD1 3.33Å; R944-D947 WeakPolarHBondContact CD-OD1 3.17Å; R944-D947 IonicContact CZ-OD2 3.7Å; R944-D947 IonicContact NH1-OD1 2.7Å; R944-D947 IonicContact NH1-OD2 2.78Å; R944-D947 PolarHBondContact NH1-OD2 2.74Å; D947-K949 HydrophobicContact CB-CG 4.46Å; D947-K949 PolarHBondContact O-N 3.16Å; D947-K949 WeakPolarHBondContact OD1-CB 3.4Å; D947-K949 WeakPolarHBondContact OD1-CG 3.1Å; D947-K949 PolarHBondContact OD1-N 3.05Å; D947-K949 WeakPolarHBondContact OD2-CD 3.45Å; D947-K949 VanDerWaalsContact OD2-CE 3.28Å; D947-K949 WeakPolarHBondContact OD2-CE 3.31Å; D947-K949 IonicContact OD2-NZ 3.48Å; D947-K949 PolarHBondContact OD2-NZ 2.98Å; D947-L966 WeakPolarHBondContact O-CD1 3.43Å
948	L	84.4	Confident	86.4	Confident	38 Å²	38	31.8 Å²	31.8	20%	0.199	15%	0.15	C	C	.	.			trans	46.2	42.1	-173.7	-59.4	178.5	0	0	0	113.4	I921 R944 I967 K1021	I921-L948 HydrophobicContact CD1-CD2 4.24Å; R944-L948 PolarHBondContact O-N 2.64Å; L948-I967 VanDerWaalsContact O-CG1 3.26Å; L948-I967 WeakPolarHBondContact O-CG1 3.37Å; L948-I967 PolarHBondContact O-N 3Å; L948-K1021 HydrophobicContact CD1-CD 4.17Å; L948-K1021 HydrophobicContact CD2-CB 4.42Å; L948-K1021 HydrophobicContact CD2-CD 3.8Å; L948-K1021 HydrophobicContact CD2-CG 3.98Å
949	K	85.9	Confident	86.3	Confident	64 Å²	64	32.3 Å²	32.3	28%	0.278	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.5	166.3	-65.6	-172.1	-158.6	119.5	0	111.6	R944 D947 V951 E964 L965 L966	R944-K949 PolarHBondContact N-O 3.25Å; D947-K949 HydrophobicContact CB-CG 4.46Å; D947-K949 PolarHBondContact O-N 3.16Å; D947-K949 WeakPolarHBondContact OD1-CB 3.4Å; D947-K949 WeakPolarHBondContact OD1-CG 3.1Å; D947-K949 PolarHBondContact OD1-N 3.05Å; D947-K949 WeakPolarHBondContact OD2-CD 3.45Å; D947-K949 VanDerWaalsContact OD2-CE 3.28Å; D947-K949 WeakPolarHBondContact OD2-CE 3.31Å; D947-K949 IonicContact OD2-NZ 3.48Å; D947-K949 PolarHBondContact OD2-NZ 2.98Å; K949-V951 HydrophobicContact CB-CG2 3.84Å; K949-E964 HydrophobicContact CD-CB 4.18Å; K949-E964 VanDerWaalsContact CD-OE2 3.3Å; K949-E964 WeakPolarHBondContact CD-OE2 3.42Å; K949-E964 IonicContact NZ-OE2 2.75Å; K949-L965 CarbonylContact C-O 3.59Å; K949-L965 VanDerWaalsContact CA-O 3.26Å; K949-L965 WeakPolarHBondContact CA-O 3.15Å; K949-L966 HydrophobicContact CG-CD1 4.33Å
950	L	89.4	Confident	86	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118	162.8	-177.3	63.6	0	0	0	108.1	A941 F952 L965 I967 L985 F1003 W1014	A941-L950 HydrophobicContact CB-CD1 4.5Å; L950-F952 HydrophobicContact CD2-CE2 3.94Å; L950-F952 HydrophobicContact CD2-CZ 3.73Å; L950-F952 HydrophobicContact CG-CE2 3.77Å; L950-F952 HydrophobicContact CG-CZ 3.88Å; L950-L965 PolarHBondContact N-O 2.89Å; L950-L965 PolarHBondContact O-N 2.85Å; L950-I967 HydrophobicContact CB-CG2 3.8Å; L950-I967 HydrophobicContact CD2-CG2 4.35Å; L950-L985 HydrophobicContact CD2-CD2 4.25Å; L950-F1003 HydrophobicContact CD2-CE1 4.13Å; L950-W1014 HydrophobicContact CD1-CH2 3.89Å; L950-W1014 HydrophobicContact CD1-CZ3 3.68Å
951	V	88.8	Confident	85.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.5	-168	-176.4	0	0	0	0	110.7	A941 L942 K949 Y953 S961 L963 E964	A941-V951 CarbonylContact C-O 3.59Å; A941-V951 VanDerWaalsContact CA-O 3.27Å; A941-V951 WeakPolarHBondContact CA-O 3.49Å; L942-V951 HydrophobicContact CD1-CB 3.93Å; L942-V951 HydrophobicContact CD1-CG2 4.18Å; L942-V951 HydrophobicContact CG-CB 4.21Å; L942-V951 PolarHBondContact N-O 2.96Å; L942-V951 PolarHBondContact O-N 3.33Å; K949-V951 HydrophobicContact CB-CG2 3.84Å; V951-Y953 HydrophobicContact CB-CE2 4.21Å; V951-Y953 HydrophobicContact CG1-CD2 4.35Å; V951-Y953 HydrophobicContact CG1-CE2 3.52Å; V951-S961 VanDerWaalsContact CG1-CB 3.49Å; V951-L963 WeakPolarHBondContact CA-O 3.48Å; V951-E964 HydrophobicContact CG1-CG 4.02Å; V951-E964 HydrophobicContact CG2-CB 4.25Å; V951-E964 HydrophobicContact CG2-CG 4.09Å
952	F	89.6	Confident	85.6	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	140.2	-177.6	-58	-97.4	0	0	0	111.9	V926 L928 R939 H940 A941 L950 S961 V962 L963 L965 I1001	V926-F952 HydrophobicContact CG2-CD1 4.1Å; V926-F952 HydrophobicContact CG2-CE1 4.03Å; L928-F952 HydrophobicContact CD1-CE1 3.93Å; L928-F952 HydrophobicContact CD1-CZ 4.09Å; L928-F952 HydrophobicContact CD2-CD1 3.95Å; L928-F952 HydrophobicContact CD2-CE1 4.03Å; L928-F952 HydrophobicContact CD2-CG 4.32Å; L928-F952 HydrophobicContact CD2-CZ 4.45Å; L928-F952 HydrophobicContact CG-CE1 4.4Å; R939-F952 HydrophobicContact CB-CD1 4.37Å; H940-F952 CarbonylContact O-C 3.59Å; H940-F952 WeakPolarHBondContact O-CA 3.19Å; A941-F952 HydrophobicContact CB-CD1 3.74Å; A941-F952 HydrophobicContact CB-CE1 3.87Å; A941-F952 HydrophobicContact CB-CG 4.44Å; L950-F952 HydrophobicContact CD2-CE2 3.94Å; L950-F952 HydrophobicContact CD2-CZ 3.73Å; L950-F952 HydrophobicContact CG-CE2 3.77Å; L950-F952 HydrophobicContact CG-CZ 3.88Å; F952-S961 CarbonylContact O-C 3.58Å; F952-S961 WeakPolarHBondContact O-CA 3.44Å; F952-V962 PolarHBondContact O-N 3.08Å; F952-L963 HydrophobicContact CB-CB 4.31Å; F952-L963 HydrophobicContact CD2-CB 4.02Å; F952-L963 HydrophobicContact CD2-CD2 4.05Å; F952-L963 HydrophobicContact CD2-CG 4.13Å; F952-L963 HydrophobicContact CE2-CD2 4.25Å; F952-L963 PolarHBondContact N-O 3.45Å; F952-L965 HydrophobicContact CE2-CD1 4.07Å; F952-I1001 HydrophobicContact CZ-CG2 4.4Å
953	Y	87.3	Confident	85.1	Confident	16 Å²	16	42.5 Å²	42.5	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.9	177.7	-60.7	-92.5	0	0	0	110.3	K916 R939 H940 L942 V951 A955 D958 K960	K916-Y953 VanDerWaalsContact CE-CE2 3.42Å; K916-Y953 VanDerWaalsContact CE-CZ 3.41Å; K916-Y953 VanDerWaalsContact NZ-CD1 3.27Å; K916-Y953 VanDerWaalsContact NZ-CG 3.33Å; R939-Y953 WeakPolarHBondContact CA-O 3.29Å; R939-Y953 WeakPolarHBondContact CB-O 3.16Å; R939-Y953 WeakPolarHBondContact CD-O 3.4Å; H940-Y953 PolarHBondContact N-O 3.39Å; H940-Y953 PolarHBondContact O-N 3.03Å; L942-Y953 HydrophobicContact CD2-CE2 3.66Å; L942-Y953 HydrophobicContact CG-CE2 4.01Å; V951-Y953 HydrophobicContact CB-CE2 4.21Å; V951-Y953 HydrophobicContact CG1-CD2 4.35Å; V951-Y953 HydrophobicContact CG1-CE2 3.52Å; Y953-A955 WeakPolarHBondContact CB-O 3.25Å; Y953-D958 HydrophobicContact CD1-CB 4.48Å; Y953-D958 VanDerWaalsContact CD1-O 3.25Å; Y953-D958 WeakPolarHBondContact CD1-O 3.25Å; Y953-D958 WeakPolarHBondContact CE1-O 3.28Å; Y953-K960 VanDerWaalsContact CD1-O 3.28Å; Y953-K960 WeakPolarHBondContact CD1-O 3.37Å
954	K	83.2	Confident	84.8	Confident	26 Å²	26	45.8 Å²	45.8	11%	0.113	23%	0.229	C	C	.	.	S	Bend	trans	-75.8	-63.4	175.2	-64.7	-156.9	166.4	-166.1	0	110.8	N30 D34 N803 H940 V962	N30-K954 PolarHBondContact O-NZ 2.92Å; N30-K954 WeakPolarHBondContact OD1-CD 3.26Å; N30-K954 WeakPolarHBondContact OD1-CE 3.41Å; N30-K954 PolarHBondContact OD1-NZ 3.3Å; D34-K954 IonicContact OD1-NZ 2.62Å; D34-K954 IonicContact OD2-NZ 2.8Å; D34-K954 PolarHBondContact OD2-NZ 3.41Å; N803-K954 WeakPolarHBondContact ND2-CB 3.33Å; H940-K954 PolarHBondContact ND1-O 3.04Å; K954-V962 HydrophobicContact CB-CG2 4.49Å; K954-V962 HydrophobicContact CD-CG2 4.32Å; K954-V962 HydrophobicContact CG-CG2 3.4Å
955	A	84.7	Confident	84.5	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.025	23%	0.229	C	C	.	.	S	Bend	trans	-107.8	172.4	170.7	0	0	0	0	0	111.6	N800 I801 N803 Y953 D958	N800-A955 WeakPolarHBondContact O-CB 3.32Å; I801-A955 WeakPolarHBondContact O-CB 3.29Å; N803-A955 VanDerWaalsContact ND2-CB 3.27Å; N803-A955 WeakPolarHBondContact ND2-CB 3.42Å; N803-A955 PolarHBondContact ND2-N 3.15Å; Y953-A955 WeakPolarHBondContact CB-O 3.25Å; A955-D958 WeakPolarHBondContact CB-OD2 3.39Å; A955-D958 PolarHBondContact N-OD2 3.09Å
956	E	81.9	Confident	84.5	Confident	42 Å²	42	44 Å²	44	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-48.3	-167.7	-159.9	-172.5	168.1	0	0	112.3	I801 K916 R917 F923	I801-E956 HydrophobicContact CG1-CB 4.12Å; I801-E956 PolarHBondContact O-N 3.35Å; K916-E956 PolarHBondContact NZ-O 2.87Å; R917-E956 IonicContact CZ-OE1 2.58Å; R917-E956 IonicContact NE-OE1 3.17Å; R917-E956 IonicContact NH2-OE1 3.95Å; R917-E956 PolarHBondContact NH2-OE1 3.4Å; F923-E956 HydrophobicContact CE1-CG 3.55Å; F923-E956 HydrophobicContact CZ-CB 4.5Å; F923-E956 HydrophobicContact CZ-CG 3.46Å; F923-E956 VanDerWaalsContact CZ-CG 3.46Å
957	L	83.5	Confident	84.6	Confident	16 Å²	16	38.2 Å²	38.2	8%	0.084	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.3	-171.9	-37.6	-170.9	0	0	0	113.8	L797 I801 L806 R911 V913	L797-L957 HydrophobicContact CD1-CD1 4.41Å; I801-L957 HydrophobicContact CD1-CD1 4.18Å; I801-L957 HydrophobicContact CD1-CD2 4.26Å; I801-L957 HydrophobicContact CD1-CG 4.25Å; I801-L957 HydrophobicContact CG1-CD1 4.33Å; I801-L957 HydrophobicContact CG1-CD2 4.25Å; I801-L957 HydrophobicContact CG1-CG 4Å; I801-L957 HydrophobicContact CG2-CD1 3.9Å; I801-L957 HydrophobicContact CG2-CG 4.17Å; I801-L957 PolarHBondContact O-N 3.27Å; L806-L957 HydrophobicContact CD1-CD1 4.07Å; L806-L957 HydrophobicContact CD2-CB 3.78Å; L806-L957 HydrophobicContact CD2-CD1 4.11Å; R911-L957 PolarHBondContact NH1-O 3.18Å; R911-L957 VanDerWaalsContact NH1-O 3.15Å; V913-L957 HydrophobicContact CG1-CD1 4.02Å; V913-L957 HydrophobicContact CG1-CD2 3.63Å; V913-L957 HydrophobicContact CG1-CG 4.23Å; V913-L957 HydrophobicContact CG2-CD1 4.34Å
958	D	85.6	Confident	84.3	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.053	22%	0.223	C	C	.	.			trans	-63.8	136.2	178	-67.1	-12.4	0	0	0	110.6	S802 N803 K916 Y953 A955	S802-D958 VanDerWaalsContact CA-OD1 3.26Å; S802-D958 WeakPolarHBondContact CA-OD1 3.47Å; S802-D958 WeakPolarHBondContact CB-OD1 3.11Å; S802-D958 PolarHBondContact OG-OD1 3.1Å; N803-D958 PolarHBondContact N-OD1 3.24Å; N803-D958 PolarHBondContact ND2-OD2 3Å; K916-D958 PolarHBondContact NZ-O 2.85Å; Y953-D958 HydrophobicContact CD1-CB 4.48Å; Y953-D958 VanDerWaalsContact CD1-O 3.25Å; Y953-D958 WeakPolarHBondContact CD1-O 3.25Å; Y953-D958 WeakPolarHBondContact CE1-O 3.28Å; A955-D958 WeakPolarHBondContact CB-OD2 3.39Å; A955-D958 PolarHBondContact N-OD2 3.09Å
959	S	82.3	Confident	83.8	Confident	67 Å²	67	44.9 Å²	44.9	47%	0.469	24%	0.235	S	C	.	.	S	Bend	trans	-78	-34.1	178.1	60	0	0	0	0	112.6	E804	E804-S959 VanDerWaalsContact OE1-CB 3.28Å; E804-S959 WeakPolarHBondContact OE1-CB 3.5Å; E804-S959 PolarHBondContact OE1-N 3Å; E804-S959 PolarHBondContact OE1-OG 2.8Å
960	K	82.8	Confident	83.7	Confident	101 Å²	101	42.3 Å²	42.3	44%	0.439	22%	0.223	S	C	.	.	S	Bend	trans	-85.6	124.4	-175	-54.3	-179.1	-167.9	-179.8	0	111.2	E813 Y953	E813-K960 IonicContact OE1-NZ 3.73Å; E813-K960 PolarHBondContact OE1-NZ 3.26Å; Y953-K960 VanDerWaalsContact CD1-O 3.28Å; Y953-K960 WeakPolarHBondContact CD1-O 3.37Å
961	S	86	Confident	83.4	Confident	48 Å²	48	44.4 Å²	44.4	34%	0.336	23%	0.232	S	C	.	.			trans	-72.8	144.1	169	47.5	0	0	0	0	111.4	V951 F952 E964	V951-S961 VanDerWaalsContact CG1-CB 3.49Å; F952-S961 CarbonylContact O-C 3.58Å; F952-S961 WeakPolarHBondContact O-CA 3.44Å; S961-E964 PolarHBondContact OG-OE1 3.47Å; S961-E964 VanDerWaalsContact OG-OE1 3.12Å
962	V	83.5	Confident	83.4	Confident	67 Å²	67	45.2 Å²	45.2	41%	0.406	24%	0.236	S	C	.	.	S	Bend	trans	-83.7	-34.9	171.5	-177.4	0	0	0	0	110.3	F952 K954	F952-V962 PolarHBondContact O-N 3.08Å; K954-V962 HydrophobicContact CB-CG2 4.49Å; K954-V962 HydrophobicContact CD-CG2 4.32Å; K954-V962 HydrophobicContact CG-CG2 3.4Å
963	L	81.2	Confident	83.2	Confident	54 Å²	54	48.5 Å²	48.5	28%	0.283	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	129.1	-173.7	-177.8	59.8	0	0	0	108.7	V951 F952 L965	V951-L963 WeakPolarHBondContact CA-O 3.48Å; F952-L963 HydrophobicContact CB-CB 4.31Å; F952-L963 HydrophobicContact CD2-CB 4.02Å; F952-L963 HydrophobicContact CD2-CD2 4.05Å; F952-L963 HydrophobicContact CD2-CG 4.13Å; F952-L963 HydrophobicContact CE2-CD2 4.25Å; F952-L963 PolarHBondContact N-O 3.45Å; L963-L965 HydrophobicContact CD1-CD2 3.92Å; L963-L965 HydrophobicContact CD1-CG 4.24Å; L963-L965 HydrophobicContact CD2-CD1 4Å; L963-L965 HydrophobicContact CD2-CG 4.29Å; L963-L965 HydrophobicContact CG-CD1 4.24Å; L963-L965 HydrophobicContact CG-CD2 4.2Å; L963-L965 HydrophobicContact CG-CG 3.97Å
964	E	84.9	Confident	83.3	Confident	69 Å²	69	51.1 Å²	51.1	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.7	165.5	-48.2	-143.6	156.9	0	0	108.7	R944 K949 V951 S961	R944-E964 IonicContact CZ-OE1 2.81Å; R944-E964 IonicContact CZ-OE2 3.52Å; R944-E964 IonicContact NH1-OE1 3.83Å; R944-E964 IonicContact NH1-OE2 3.18Å; R944-E964 PolarHBondContact NH1-OE2 2.8Å; R944-E964 IonicContact NH2-OE1 2.71Å; R944-E964 PolarHBondContact NH2-OE1 3Å; R944-E964 IonicContact NH2-OE2 3.82Å; R944-E964 PolarHBondContact NH2-OE2 2.77Å; K949-E964 HydrophobicContact CD-CB 4.18Å; K949-E964 VanDerWaalsContact CD-OE2 3.3Å; K949-E964 WeakPolarHBondContact CD-OE2 3.42Å; K949-E964 IonicContact NZ-OE2 2.75Å; V951-E964 HydrophobicContact CG1-CG 4.02Å; V951-E964 HydrophobicContact CG2-CB 4.25Å; V951-E964 HydrophobicContact CG2-CG 4.09Å; S961-E964 PolarHBondContact OG-OE1 3.47Å; S961-E964 VanDerWaalsContact OG-OE1 3.12Å
965	L	82.1	Confident	83.5	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.157	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.6	179.3	-61.6	172.9	0	0	0	109.1	K949 L950 F952 L963 I967 I1001	K949-L965 CarbonylContact C-O 3.59Å; K949-L965 VanDerWaalsContact CA-O 3.26Å; K949-L965 WeakPolarHBondContact CA-O 3.15Å; L950-L965 PolarHBondContact N-O 2.89Å; L950-L965 PolarHBondContact O-N 2.85Å; F952-L965 HydrophobicContact CE2-CD1 4.07Å; L963-L965 HydrophobicContact CD1-CD2 3.92Å; L963-L965 HydrophobicContact CD1-CG 4.24Å; L963-L965 HydrophobicContact CD2-CD1 4Å; L963-L965 HydrophobicContact CD2-CG 4.29Å; L963-L965 HydrophobicContact CG-CD1 4.24Å; L963-L965 HydrophobicContact CG-CD2 4.2Å; L963-L965 HydrophobicContact CG-CG 3.97Å; L965-I967 HydrophobicContact CB-CG2 4.44Å; L965-I967 PolarHBondContact O-N 3.31Å; L965-I1001 HydrophobicContact CB-CD1 4.46Å; L965-I1001 HydrophobicContact CD1-CD1 3.54Å; L965-I1001 HydrophobicContact CD1-CG1 3.8Å; L965-I1001 HydrophobicContact CD1-CG2 3.98Å
966	L	83.6	Confident	83.7	Confident	103 Å²	103	56.5 Å²	56.5	54%	0.539	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.5	168.9	-178.8	67.8	0	0	0	108.2	D947 K949	D947-L966 WeakPolarHBondContact O-CD1 3.43Å; K949-L966 HydrophobicContact CG-CD1 4.33Å
967	I	81.6	Confident	83.7	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.01	31%	0.307	C	S	.	.			trans	-95	13	-174.2	58.7	165.6	0	0	0	113.7	L943 L948 L950 L965 G969 Y970 L985 I1001 F1018 L1022	L943-I967 HydrophobicContact CD1-CD1 3.69Å; L943-I967 HydrophobicContact CD1-CG1 4.29Å; L948-I967 VanDerWaalsContact O-CG1 3.26Å; L948-I967 WeakPolarHBondContact O-CG1 3.37Å; L948-I967 PolarHBondContact O-N 3Å; L950-I967 HydrophobicContact CB-CG2 3.8Å; L950-I967 HydrophobicContact CD2-CG2 4.35Å; L965-I967 HydrophobicContact CB-CG2 4.44Å; L965-I967 PolarHBondContact O-N 3.31Å; I967-G969 PolarHBondContact O-N 2.78Å; I967-Y970 HydrophobicContact CB-CD2 4.32Å; I967-Y970 HydrophobicContact CB-CG 4.47Å; I967-Y970 WeakPolarHBondContact O-CB 3.14Å; I967-Y970 WeakPolarHBondContact O-CD2 3.27Å; I967-Y970 PolarHBondContact O-N 3.1Å; I967-L985 HydrophobicContact CB-CD2 4.17Å; I967-L985 HydrophobicContact CD1-CD2 4.15Å; I967-L985 HydrophobicContact CG2-CD2 3.76Å; I967-I1001 HydrophobicContact CG2-CD1 4.42Å; I967-F1018 HydrophobicContact CD1-CD1 4.43Å; I967-F1018 HydrophobicContact CD1-CE1 4.04Å; I967-L1022 HydrophobicContact CB-CD2 4.49Å; I967-L1022 HydrophobicContact CD1-CD1 4.22Å; I967-L1022 HydrophobicContact CD1-CD2 4.2Å; I967-L1022 HydrophobicContact CD1-CG 4.47Å; I967-L1022 HydrophobicContact CG1-CD2 4.37Å; I967-L1022 VanDerWaalsContact O-CD2 3.26Å; I967-L1022 WeakPolarHBondContact O-CD2 3.33Å
968	Y	77.8	Confident	83.5	Confident	181 Å²	181	66.1 Å²	66.1	71%	0.71	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	129.4	175.3	-170.4	-94.4	0	0	0	111.2	Y970	Y968-Y970 VanDerWaalsContact C-N 3.3Å; Y968-Y970 PolarHBondContact O-N 3.46Å
969	G	74.1	Confident	83.1	Confident	43 Å²	43	69.7 Å²	69.7	44%	0.443	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	6.7	-178.2	0	0	0	0	0	115.6	I967 H987	I967-G969 PolarHBondContact O-N 2.78Å; G969-H987 PolarHBondContact O-CD2 3Å; G969-H987 VanDerWaalsContact O-CD2 3.24Å
970	Y	83.9	Confident	83.2	Confident	9 Å²	9	67 Å²	67	4%	0.035	35%	0.351	C	S	.	.			trans	-78.7	139.1	169.7	-78.8	-111.5	0	0	0	110.4	I967 Y968 L985 H987 Q990 I1001 L1022	I967-Y970 HydrophobicContact CB-CD2 4.32Å; I967-Y970 HydrophobicContact CB-CG 4.47Å; I967-Y970 WeakPolarHBondContact O-CB 3.14Å; I967-Y970 WeakPolarHBondContact O-CD2 3.27Å; I967-Y970 PolarHBondContact O-N 3.1Å; Y968-Y970 VanDerWaalsContact C-N 3.3Å; Y968-Y970 PolarHBondContact O-N 3.46Å; Y970-L985 HydrophobicContact CD1-CB 3.81Å; Y970-L985 HydrophobicContact CG-CB 4.49Å; Y970-H987 HydrophobicContact CD1-CB 3.66Å; Y970-H987 HydrophobicContact CD2-CB 3.75Å; Y970-H987 AromaticContact CD2-CD2 3.66Å; Y970-H987 HydrophobicContact CE1-CB 3.54Å; Y970-H987 HydrophobicContact CE2-CB 3.61Å; Y970-H987 AromaticContact CE2-CD2 3.76Å; Y970-H987 AromaticContact CE2-CG 3.92Å; Y970-H987 HydrophobicContact CG-CB 3.78Å; Y970-Q990 PolarHBondContact OH-OE1 3.02Å; Y970-I1001 HydrophobicContact CD1-CD1 4.07Å; Y970-I1001 HydrophobicContact CE1-CD1 3.48Å; Y970-I1001 VanDerWaalsContact CE1-CD1 3.48Å; Y970-I1001 HydrophobicContact CE1-CG1 4.21Å; Y970-L1022 WeakPolarHBondContact O-CD2 3.27Å
971	F	83.8	Confident	83.5	Confident	44 Å²	44	65.8 Å²	65.8	19%	0.193	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	155.3	161.1	-62.4	-89.5	0	0	0	109.1	L985 V986 E1023 D1025	F971-L985 CarbonylContact O-C 3.33Å; F971-L985 WeakPolarHBondContact O-CA 3.31Å; F971-V986 PolarHBondContact N-O 3.4Å; F971-V986 PolarHBondContact O-N 2.65Å; F971-E1023 CarbonylContact C-O 3.58Å; F971-E1023 VanDerWaalsContact CA-O 3.22Å; F971-E1023 WeakPolarHBondContact CA-O 3.31Å; F971-E1023 HydrophobicContact CD1-CB 3.76Å; F971-E1023 HydrophobicContact CE1-CB 3.86Å; F971-E1023 WeakPolarHBondContact CE1-OE2 3.23Å; F971-D1025 HydrophobicContact CB-CB 3.92Å
972	Y	88.2	Confident	83.6	Confident	18 Å²	18	65.4 Å²	65.4	7%	0.071	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.4	171.8	81.5	-77.3	0	0	0	113.4	E984 F1018 A1019 L1022 E1023 L1024 D1025	Y972-E984 CarbonylContact C-O 3.18Å; Y972-E984 WeakPolarHBondContact CA-O 3Å; Y972-F1018 HydrophobicContact CD1-CB 4.01Å; Y972-F1018 HydrophobicContact CD2-CB 3.97Å; Y972-F1018 HydrophobicContact CD2-CD2 4.47Å; Y972-F1018 HydrophobicContact CE1-CB 4.06Å; Y972-F1018 HydrophobicContact CE2-CB 4.03Å; Y972-F1018 HydrophobicContact CG-CB 3.96Å; Y972-A1019 WeakPolarHBondContact OH-CB 3.39Å; Y972-L1022 HydrophobicContact CD1-CB 3.76Å; Y972-L1022 HydrophobicContact CD1-CD1 4.42Å; Y972-L1022 HydrophobicContact CE1-CB 4.4Å; Y972-E1023 WeakPolarHBondContact CD1-O 3.4Å; Y972-E1023 PolarHBondContact N-O 3.02Å; Y972-L1024 HydrophobicContact CD1-CD1 4.48Å; Y972-L1024 HydrophobicContact CD2-CD1 4.22Å; Y972-L1024 HydrophobicContact CE1-CB 4.38Å; Y972-L1024 HydrophobicContact CE1-CD1 3.99Å; Y972-L1024 HydrophobicContact CE2-CD1 3.69Å; Y972-D1025 PolarHBondContact O-N 3.18Å
973	R	86.4	Confident	84	Confident	69 Å²	69	62.2 Å²	62.2	26%	0.26	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.1	164.5	-43.6	-177.3	-157.5	-81.1	-15.7	108.7	F983 E984 D1025 T1027	R973-F983 WeakPolarHBondContact O-CA 3.16Å; R973-E984 HydrophobicContact CB-CB 4.27Å; R973-E984 WeakPolarHBondContact CD-OE2 3.12Å; R973-E984 HydrophobicContact CG-CB 4.46Å; R973-E984 PolarHBondContact N-O 3.02Å; R973-E984 IonicContact NE-OE2 3.36Å; R973-E984 PolarHBondContact O-N 3.02Å; R973-D1025 HydrophobicContact CG-CB 4.13Å; R973-D1025 IonicContact CZ-OD2 3.94Å; R973-D1025 VanDerWaalsContact NH1-CG 3.32Å; R973-D1025 IonicContact NH1-OD1 2.74Å; R973-D1025 IonicContact NH1-OD2 3.19Å; R973-D1025 PolarHBondContact NH1-OD2 3.31Å; R973-D1025 IonicContact NH2-OD2 2.68Å; R973-D1025 PolarHBondContact NH2-OD2 3.28Å; R973-T1027 PolarHBondContact NH1-OG1 3.34Å
974	E	89.2	Confident	84.3	Confident	71 Å²	71	62.4 Å²	62.4	33%	0.332	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.8	163.8	56.1	-176.9	-148.8	0	0	109.5	W981 L982 F983 S1015	E974-W981 HydrophobicContact CB-CE3 4.32Å; E974-W981 HydrophobicContact CG-CZ3 4.39Å; E974-L982 CarbonylContact C-O 3.58Å; E974-L982 WeakPolarHBondContact CA-O 3.46Å; E974-F983 HydrophobicContact CB-CD1 4.13Å; E974-F983 HydrophobicContact CB-CE1 3.96Å; E974-S1015 WeakPolarHBondContact OE2-CB 3.37Å; E974-S1015 PolarHBondContact OE2-OG 2.87Å
975	T	87.5	Confident	84.4	Confident	56 Å²	56	59.1 Å²	59.1	34%	0.344	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	122.4	-180	-68.2	0	0	0	0	109.4	L982	T975-L982 PolarHBondContact N-O 3.46Å; T975-L982 PolarHBondContact O-N 3.34Å
976	P	87.4	Confident	84.3	Confident	86 Å²	86	57.9 Å²	57.9	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	145.8	176.1	30.2	-34.7	0	0	0	110.8	W981	P976-W981 HydrophobicContact CB-CH2 4.48Å; P976-W981 HydrophobicContact CB-CZ2 4.31Å
977	L	83.2	Confident	83.8	Confident	76 Å²	76	54.4 Å²	54.4	40%	0.398	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159	175.9	-64.6	176.2	0	0	0	109.2	D979 G980 L982 R1004	L977-D979 PolarHBondContact O-N 2.88Å; L977-D979 VanDerWaalsContact O-N 3.08Å; L977-G980 PolarHBondContact N-O 2.84Å; L977-G980 PolarHBondContact O-N 3.5Å; L977-G980 VanDerWaalsContact O-N 3.14Å; L977-L982 HydrophobicContact CD1-CB 3.89Å; L977-L982 HydrophobicContact CG-CB 4.33Å; L977-R1004 HydrophobicContact CD1-CG 4.21Å
978	D	78.1	Confident	82.9	Confident	184 Å²	184	58.7 Å²	58.7	98%	0.984	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	177.8	-57.3	-36.4	0	0	0	112.8
979	D	76.9	Confident	81.8	Confident	86 Å²	86	57 Å²	57	46%	0.46	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	20.5	-179.9	78.4	-21.8	0	0	0	114.1	L977 R1004	L977-D979 PolarHBondContact O-N 2.88Å; L977-D979 VanDerWaalsContact O-N 3.08Å; D979-R1004 PolarHBondContact O-NH1 2.97Å; D979-R1004 WeakPolarHBondContact OD1-CD 3.27Å; D979-R1004 IonicContact OD1-CZ 2.7Å; D979-R1004 IonicContact OD1-NE 3.68Å; D979-R1004 IonicContact OD1-NH1 2.68Å; D979-R1004 PolarHBondContact OD1-NH1 3.05Å; D979-R1004 IonicContact OD2-CZ 3.81Å; D979-R1004 IonicContact OD2-NE 3.86Å; D979-R1004 IonicContact OD2-NH1 2.87Å; D979-R1004 PolarHBondContact OD2-NH1 3.47Å; D979-R1004 IonicContact OD2-NH2 2.81Å; D979-R1004 PolarHBondContact OD2-NH2 2.68Å; D979-R1004 VanDerWaalsContact OD2-NH2 3.16Å
980	G	85.1	Confident	80.7	Confident	9 Å²	9	58.9 Å²	58.9	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.8	-145.5	171.9	0	0	0	0	0	115.6	L977 V1005	L977-G980 PolarHBondContact N-O 2.84Å; L977-G980 PolarHBondContact O-N 3.5Å; L977-G980 VanDerWaalsContact O-N 3.14Å; G980-V1005 CarbonylContact C-O 3.53Å; G980-V1005 VanDerWaalsContact CA-O 3.24Å; G980-V1005 WeakPolarHBondContact CA-O 3.42Å
981	W	89.5	Confident	78.7	Confident	77 Å²	77	65.4 Å²	65.4	29%	0.292	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124	178.5	-73.6	67.9	0	0	0	110	E974 P976 F983 R1004 V1005 A1011	E974-W981 HydrophobicContact CB-CE3 4.32Å; E974-W981 HydrophobicContact CG-CZ3 4.39Å; P976-W981 HydrophobicContact CB-CH2 4.48Å; P976-W981 HydrophobicContact CB-CZ2 4.31Å; W981-F983 HydrophobicContact CB-CE2 4.03Å; W981-R1004 CarbonylContact O-C 3.47Å; W981-R1004 VanDerWaalsContact O-CA 3.29Å; W981-R1004 WeakPolarHBondContact O-CA 3.5Å; W981-V1005 PolarHBondContact N-O 2.93Å; W981-V1005 PolarHBondContact O-N 2.9Å; W981-A1011 HydrophobicContact CB-CB 3.69Å; W981-A1011 HydrophobicContact CD2-CB 4.19Å; W981-A1011 HydrophobicContact CG-CB 3.54Å
982	L	88.9	Confident	76.6	Confident	39 Å²	39	67 Å²	67	20%	0.204	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.6	172.6	178	64	0	0	0	109.8	E974 T975 L977 E984	E974-L982 CarbonylContact C-O 3.58Å; E974-L982 WeakPolarHBondContact CA-O 3.46Å; T975-L982 PolarHBondContact N-O 3.46Å; T975-L982 PolarHBondContact O-N 3.34Å; L977-L982 HydrophobicContact CD1-CB 3.89Å; L977-L982 HydrophobicContact CG-CB 4.33Å; L982-E984 HydrophobicContact CD2-CG 4.29Å; L982-E984 HydrophobicContact CG-CG 4.21Å
983	F	90.9	Very high	74.7	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.5	168.8	-67.6	-87.7	0	0	0	109.5	R973 E974 W981 L985 S1002 F1003 V1005 A1011 W1014 S1015 F1018	R973-F983 WeakPolarHBondContact O-CA 3.16Å; E974-F983 HydrophobicContact CB-CD1 4.13Å; E974-F983 HydrophobicContact CB-CE1 3.96Å; W981-F983 HydrophobicContact CB-CE2 4.03Å; F983-L985 HydrophobicContact CB-CD1 4.49Å; F983-S1002 WeakPolarHBondContact O-CA 3.37Å; F983-F1003 HydrophobicContact CB-CD1 4.5Å; F983-F1003 HydrophobicContact CB-CE1 4.11Å; F983-F1003 HydrophobicContact CB-CE2 4.14Å; F983-F1003 HydrophobicContact CB-CZ 3.93Å; F983-F1003 HydrophobicContact CD2-CE2 4.03Å; F983-F1003 HydrophobicContact CD2-CZ 4.46Å; F983-F1003 HydrophobicContact CG-CE2 4.34Å; F983-F1003 HydrophobicContact CG-CZ 4.33Å; F983-F1003 PolarHBondContact N-O 2.97Å; F983-F1003 PolarHBondContact O-N 2.78Å; F983-V1005 HydrophobicContact CD2-CG2 3.89Å; F983-V1005 HydrophobicContact CE2-CB 4.32Å; F983-V1005 HydrophobicContact CE2-CG2 3.84Å; F983-A1011 HydrophobicContact CE2-CB 4.3Å; F983-A1011 HydrophobicContact CZ-CB 4.36Å; F983-W1014 HydrophobicContact CD2-CB 4.43Å; F983-W1014 HydrophobicContact CE1-CB 4.1Å; F983-W1014 HydrophobicContact CE2-CB 3.83Å; F983-W1014 HydrophobicContact CZ-CB 3.64Å; F983-S1015 WeakPolarHBondContact CE1-OG 3.21Å; F983-S1015 WeakPolarHBondContact CZ-OG 3.12Å; F983-F1018 HydrophobicContact CB-CE2 4.35Å; F983-F1018 AromaticContact CD1-CD2 3.83Å; F983-F1018 HydrophobicContact CD1-CD2 3.83Å; F983-F1018 AromaticContact CD1-CE2 3.88Å; F983-F1018 HydrophobicContact CD1-CE2 3.88Å; F983-F1018 HydrophobicContact CE1-CD2 4.19Å; F983-F1018 HydrophobicContact CE1-CE2 4.49Å; F983-F1018 HydrophobicContact CG-CE2 4.16Å
984	E	88	Confident	72.5	Confident	58 Å²	58	73.3 Å²	73.3	27%	0.271	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.6	173.2	-60.1	-167.8	110.2	0	0	109.8	Y972 R973 L982 V1000 I1001	Y972-E984 CarbonylContact C-O 3.18Å; Y972-E984 WeakPolarHBondContact CA-O 3Å; R973-E984 HydrophobicContact CB-CB 4.27Å; R973-E984 WeakPolarHBondContact CD-OE2 3.12Å; R973-E984 HydrophobicContact CG-CB 4.46Å; R973-E984 PolarHBondContact N-O 3.02Å; R973-E984 IonicContact NE-OE2 3.36Å; R973-E984 PolarHBondContact O-N 3.02Å; L982-E984 HydrophobicContact CD2-CG 4.29Å; L982-E984 HydrophobicContact CG-CG 4.21Å; E984-V1000 HydrophobicContact CB-CG1 4.31Å; E984-I1001 WeakPolarHBondContact CA-O 3.33Å
985	L	87.2	Confident	70.4	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.2	172.4	-70.1	71.3	0	0	0	108.7	L950 I967 Y970 F971 F983 V1000 I1001 F1003 F1018 L1022	L950-L985 HydrophobicContact CD2-CD2 4.25Å; I967-L985 HydrophobicContact CB-CD2 4.17Å; I967-L985 HydrophobicContact CD1-CD2 4.15Å; I967-L985 HydrophobicContact CG2-CD2 3.76Å; Y970-L985 HydrophobicContact CD1-CB 3.81Å; Y970-L985 HydrophobicContact CG-CB 4.49Å; F971-L985 CarbonylContact O-C 3.33Å; F971-L985 WeakPolarHBondContact O-CA 3.31Å; F983-L985 HydrophobicContact CB-CD1 4.49Å; L985-V1000 CarbonylContact O-C 3.56Å; L985-V1000 VanDerWaalsContact O-CA 3.24Å; L985-V1000 WeakPolarHBondContact O-CA 3.49Å; L985-I1001 HydrophobicContact CB-CB 4.33Å; L985-I1001 HydrophobicContact CB-CD1 4.33Å; L985-I1001 PolarHBondContact N-O 2.85Å; L985-I1001 PolarHBondContact O-N 2.73Å; L985-F1003 HydrophobicContact CD1-CE1 3.94Å; L985-F1018 HydrophobicContact CD1-CE1 4.38Å; L985-F1018 HydrophobicContact CD1-CE2 4.14Å; L985-F1018 HydrophobicContact CD1-CZ 3.88Å; L985-F1018 HydrophobicContact CD2-CE1 3.91Å; L985-F1018 HydrophobicContact CD2-CZ 4.18Å; L985-L1022 HydrophobicContact CD2-CD1 3.84Å; L985-L1022 HydrophobicContact CG-CD1 4.12Å
986	V	79.1	Confident	68.3	Low	4 Å²	4	78.2 Å²	78.2	2%	0.024	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.1	-168.9	-176.8	0	0	0	0	110.8	F971 D998 V1000	F971-V986 PolarHBondContact N-O 3.4Å; F971-V986 PolarHBondContact O-N 2.65Å; V986-D998 HydrophobicContact CG1-CB 4.5Å; V986-V1000 HydrophobicContact CB-CG2 4.24Å; V986-V1000 HydrophobicContact CG1-CG2 3.99Å; V986-V1000 HydrophobicContact CG2-CG1 4.13Å; V986-V1000 HydrophobicContact CG2-CG2 3.94Å
987	H	73.6	Confident	66.4	Low	31 Å²	31	82.6 Å²	82.6	14%	0.144	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	104.7	176.8	-173.8	-70.7	0	0	0	112.9	G969 Y970 N989 Q990 D999	G969-H987 PolarHBondContact O-CD2 3Å; G969-H987 VanDerWaalsContact O-CD2 3.24Å; Y970-H987 HydrophobicContact CD1-CB 3.66Å; Y970-H987 HydrophobicContact CD2-CB 3.75Å; Y970-H987 AromaticContact CD2-CD2 3.66Å; Y970-H987 HydrophobicContact CE1-CB 3.54Å; Y970-H987 HydrophobicContact CE2-CB 3.61Å; Y970-H987 AromaticContact CE2-CD2 3.76Å; Y970-H987 AromaticContact CE2-CG 3.92Å; Y970-H987 HydrophobicContact CG-CB 3.78Å; H987-N989 VanDerWaalsContact C-N 3.27Å; H987-N989 VanDerWaalsContact CE1-C 3.47Å; H987-N989 PolarHBondContact ND1-N 3.41Å; H987-N989 PolarHBondContact O-N 3.06Å; H987-Q990 WeakPolarHBondContact ND1-CB 3.42Å; H987-Q990 PolarHBondContact ND1-N 2.86Å; H987-Q990 VanDerWaalsContact ND1-N 3.16Å; H987-D999 PolarHBondContact N-O 2.68Å; H987-D999 VanDerWaalsContact N-O 3.1Å
988	R	63.1	Low	65	Low	91 Å²	91	81.9 Å²	81.9	34%	0.343	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.3	-172.9	-67.5	178.4	172	140.5	6.1	115.9	D1025 T1027	R988-D1025 IonicContact CZ-OD1 3.8Å; R988-D1025 IonicContact CZ-OD2 3.09Å; R988-D1025 IonicContact NH1-OD1 2.66Å; R988-D1025 IonicContact NH2-OD1 2.69Å; R988-D1025 PolarHBondContact NH2-OD1 3.45Å; R988-D1025 IonicContact NH2-OD2 2.79Å; R988-D1025 PolarHBondContact NH2-OD2 2.67Å; R988-T1027 PolarHBondContact NH2-OG1 3.22Å
989	N	54.2	Low	64.3	Low	147 Å²	147	73.5 Å²	73.5	79%	0.786	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	17.5	-171.4	-67.8	-23.2	0	0	0	113.9	H987	H987-N989 VanDerWaalsContact C-N 3.27Å; H987-N989 VanDerWaalsContact CE1-C 3.47Å; H987-N989 PolarHBondContact ND1-N 3.41Å; H987-N989 PolarHBondContact O-N 3.06Å
990	Q	50.2	Low	64.1	Low	82 Å²	82	70.2 Å²	70.2	38%	0.383	35%	0.352	S	S	.	.			trans	-115.2	83.6	-175.7	-177.1	157.4	73.8	0	0	111.6	Y970 H987	Y970-Q990 PolarHBondContact OH-OE1 3.02Å; H987-Q990 WeakPolarHBondContact ND1-CB 3.42Å; H987-Q990 PolarHBondContact ND1-N 2.86Å; H987-Q990 VanDerWaalsContact ND1-N 3.16Å
991	I	41.9	Very low	63.9	Low	145 Å²	145	70.4 Å²	70.4	74%	0.744	35%	0.351	S	S	*	.			trans	-70.9	128.2	176.3	-56.8	173.5	0	0	0	109.4
992	R	40	Very low	63.8	Low	79 Å²	79	67.3 Å²	67.3	30%	0.298	34%	0.341	S	S	.	.			trans	-104.3	166.9	167	-64.7	-179.1	71.4	123.7	7.3	110.2	R40 D994 D999	R40-R992 VanDerWaalsContact CZ-NH1 3.33Å; R992-D994 PolarHBondContact O-N 3.27Å; R992-D999 VanDerWaalsContact CD-OD2 3.27Å; R992-D999 WeakPolarHBondContact CD-OD2 3.42Å; R992-D999 IonicContact NH1-OD2 2.7Å; R992-D999 PolarHBondContact NH1-OD2 2.83Å
993	T	47.4	Very low	63.8	Low	138 Å²	138	65.5 Å²	65.5	85%	0.847	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	17.5	-178.5	43.8	0	0	0	0	116.4
994	D	42.2	Very low	63.8	Low	81 Å²	81	66.3 Å²	66.3	43%	0.433	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	27.1	-160.4	23.9	-51.6	0	0	0	112.4	R992 T996	R992-D994 PolarHBondContact O-N 3.27Å; D994-T996 PolarHBondContact O-N 3.14Å
995	D	44.9	Very low	64	Low	157 Å²	157	63.5 Å²	63.5	84%	0.84	32%	0.321	S	S	*	.			trans	54	3.7	167.3	-72.6	-18.6	0	0	0	119.1
996	T	42.1	Very low	63.7	Low	72 Å²	72	66.3 Å²	66.3	44%	0.442	34%	0.336	S	S	.	.			trans	-75.8	127.2	171.3	59.6	0	0	0	0	111.7	D994 D998	D994-T996 PolarHBondContact O-N 3.14Å; T996-D998 PolarHBondContact O-N 3.04Å
997	K	47.8	Very low	63.8	Low	179 Å²	179	70.1 Å²	70.1	78%	0.778	36%	0.356	S	S	*	.	S	Bend	trans	-69.4	-24.5	-172.3	-78.6	-173.4	171.5	-177.7	0	116.8
998	D	53.5	Low	64.2	Low	60 Å²	60	71.4 Å²	71.4	32%	0.321	37%	0.369	S	S	.	.			trans	-131.9	128.3	-177.5	-53.6	-89.6	0	0	0	109.9	R931 V986 T996 V1000	R931-D998 PolarHBondContact NH1-O 3.49Å; R931-D998 PolarHBondContact NH2-O 2.88Å; V986-D998 HydrophobicContact CG1-CB 4.5Å; T996-D998 PolarHBondContact O-N 3.04Å; D998-V1000 HydrophobicContact CB-CG2 4.22Å
999	D	63.7	Low	65.1	Low	8 Å²	8	69.8 Å²	69.8	4%	0.043	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.2	162.6	-149.1	-5.4	0	0	0	108.4	R40 H987 R992	R40-D999 IonicContact CZ-OD1 3.74Å; R40-D999 IonicContact CZ-OD2 3.83Å; R40-D999 IonicContact NH1-OD1 3.8Å; R40-D999 PolarHBondContact NH1-OD1 3.09Å; R40-D999 IonicContact NH1-OD2 2.91Å; R40-D999 PolarHBondContact NH1-OD2 3.25Å; R40-D999 VanDerWaalsContact NH2-CG 3.26Å; R40-D999 IonicContact NH2-OD1 2.71Å; R40-D999 PolarHBondContact NH2-OD1 3.19Å; R40-D999 IonicContact NH2-OD2 3.11Å; R40-D999 PolarHBondContact NH2-OD2 2.94Å; H987-D999 PolarHBondContact N-O 2.68Å; H987-D999 VanDerWaalsContact N-O 3.1Å; R992-D999 VanDerWaalsContact CD-OD2 3.27Å; R992-D999 WeakPolarHBondContact CD-OD2 3.42Å; R992-D999 IonicContact NH1-OD2 2.7Å; R992-D999 PolarHBondContact NH1-OD2 2.83Å
1000	V	73.8	Confident	66.6	Low	18 Å²	18	64.4 Å²	64.4	11%	0.109	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.4	-176.3	179.5	0	0	0	0	110	E984 L985 V986 D998	E984-V1000 HydrophobicContact CB-CG1 4.31Å; L985-V1000 CarbonylContact O-C 3.56Å; L985-V1000 VanDerWaalsContact O-CA 3.24Å; L985-V1000 WeakPolarHBondContact O-CA 3.49Å; V986-V1000 HydrophobicContact CB-CG2 4.24Å; V986-V1000 HydrophobicContact CG1-CG2 3.99Å; V986-V1000 HydrophobicContact CG2-CG1 4.13Å; V986-V1000 HydrophobicContact CG2-CG2 3.94Å; D998-V1000 HydrophobicContact CB-CG2 4.22Å
1001	I	80.6	Confident	68.4	Low	12 Å²	12	60.6 Å²	60.6	6%	0.062	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111	-178.4	-51.1	153.8	0	0	0	106.9	F952 L965 I967 Y970 E984 L985	F952-I1001 HydrophobicContact CZ-CG2 4.4Å; L965-I1001 HydrophobicContact CB-CD1 4.46Å; L965-I1001 HydrophobicContact CD1-CD1 3.54Å; L965-I1001 HydrophobicContact CD1-CG1 3.8Å; L965-I1001 HydrophobicContact CD1-CG2 3.98Å; I967-I1001 HydrophobicContact CG2-CD1 4.42Å; Y970-I1001 HydrophobicContact CD1-CD1 4.07Å; Y970-I1001 HydrophobicContact CE1-CD1 3.48Å; Y970-I1001 VanDerWaalsContact CE1-CD1 3.48Å; Y970-I1001 HydrophobicContact CE1-CG1 4.21Å; E984-I1001 WeakPolarHBondContact CA-O 3.33Å; L985-I1001 HydrophobicContact CB-CB 4.33Å; L985-I1001 HydrophobicContact CB-CD1 4.33Å; L985-I1001 PolarHBondContact N-O 2.85Å; L985-I1001 PolarHBondContact O-N 2.73Å
1002	S	86.8	Confident	70.6	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.2	-173.8	49.1	0	0	0	0	111.6	S929 F983	S929-S1002 PolarHBondContact N-O 3.02Å; S929-S1002 WeakPolarHBondContact OG-CB 3.44Å; S929-S1002 PolarHBondContact OG-O 2.86Å; S929-S1002 PolarHBondContact OG-OG 3.27Å; F983-S1002 WeakPolarHBondContact O-CA 3.37Å
1003	F	89.6	Confident	73	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.6	176.9	70	-93.2	0	0	0	112.4	V926 Y927 L928 L950 F983 L985 V1005 W1014 F1018	V926-F1003 HydrophobicContact CB-CB 4.47Å; V926-F1003 HydrophobicContact CB-CD2 3.78Å; V926-F1003 HydrophobicContact CB-CE2 4.43Å; V926-F1003 HydrophobicContact CB-CG 4.41Å; V926-F1003 HydrophobicContact CG1-CD2 3.65Å; V926-F1003 HydrophobicContact CG1-CE2 3.79Å; Y927-F1003 CarbonylContact O-C 3.59Å; Y927-F1003 VanDerWaalsContact O-CA 3.28Å; Y927-F1003 WeakPolarHBondContact O-CA 3.33Å; L928-F1003 HydrophobicContact CD1-CB 4.12Å; L950-F1003 HydrophobicContact CD2-CE1 4.13Å; F983-F1003 HydrophobicContact CB-CD1 4.5Å; F983-F1003 HydrophobicContact CB-CE1 4.11Å; F983-F1003 HydrophobicContact CB-CE2 4.14Å; F983-F1003 HydrophobicContact CB-CZ 3.93Å; F983-F1003 HydrophobicContact CD2-CE2 4.03Å; F983-F1003 HydrophobicContact CD2-CZ 4.46Å; F983-F1003 HydrophobicContact CG-CE2 4.34Å; F983-F1003 HydrophobicContact CG-CZ 4.33Å; F983-F1003 PolarHBondContact N-O 2.97Å; F983-F1003 PolarHBondContact O-N 2.78Å; L985-F1003 HydrophobicContact CD1-CE1 3.94Å; F1003-V1005 HydrophobicContact CD2-CG2 4.09Å; F1003-V1005 HydrophobicContact CE2-CG2 3.87Å; F1003-W1014 HydrophobicContact CE2-CD2 4.16Å; F1003-W1014 HydrophobicContact CE2-CE3 4.31Å; F1003-W1014 HydrophobicContact CZ-CD2 4.21Å; F1003-W1014 AromaticContact CZ-CE3 3.89Å; F1003-W1014 HydrophobicContact CZ-CE3 3.89Å; F1003-W1014 HydrophobicContact CZ-CZ3 4.06Å; F1003-F1018 HydrophobicContact CE1-CE2 4.39Å; F1003-F1018 HydrophobicContact CE1-CZ 4.12Å; F1003-F1018 AromaticContact CZ-CE2 3.84Å; F1003-F1018 HydrophobicContact CZ-CE2 3.84Å; F1003-F1018 AromaticContact CZ-CZ 3.8Å; F1003-F1018 HydrophobicContact CZ-CZ 3.8Å
1004	R	91	Very high	75.1	Confident	17 Å²	17	57 Å²	57	6%	0.064	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.8	177.8	-178.9	-179	63.6	100.6	-14.4	111.7	V926 Y927 E936 L977 D979 W981	V926-R1004 WeakPolarHBondContact CA-O 3.45Å; Y927-R1004 PolarHBondContact N-O 3.29Å; Y927-R1004 PolarHBondContact O-N 3.42Å; E936-R1004 IonicContact OE1-CZ 2.67Å; E936-R1004 IonicContact OE1-NE 3.92Å; E936-R1004 PolarHBondContact OE1-NE 3.3Å; E936-R1004 IonicContact OE1-NH2 3.07Å; E936-R1004 IonicContact OE2-CZ 3.78Å; E936-R1004 IonicContact OE2-NE 3.43Å; E936-R1004 PolarHBondContact OE2-NE 3.4Å; E936-R1004 IonicContact OE2-NH2 3.6Å; E936-R1004 PolarHBondContact OE2-NH2 3.44Å; L977-R1004 HydrophobicContact CD1-CG 4.21Å; D979-R1004 PolarHBondContact O-NH1 2.97Å; D979-R1004 WeakPolarHBondContact OD1-CD 3.27Å; D979-R1004 IonicContact OD1-CZ 2.7Å; D979-R1004 IonicContact OD1-NE 3.68Å; D979-R1004 IonicContact OD1-NH1 2.68Å; D979-R1004 PolarHBondContact OD1-NH1 3.05Å; D979-R1004 IonicContact OD2-CZ 3.81Å; D979-R1004 IonicContact OD2-NE 3.86Å; D979-R1004 IonicContact OD2-NH1 2.87Å; D979-R1004 PolarHBondContact OD2-NH1 3.47Å; D979-R1004 IonicContact OD2-NH2 2.81Å; D979-R1004 PolarHBondContact OD2-NH2 2.68Å; D979-R1004 VanDerWaalsContact OD2-NH2 3.16Å; W981-R1004 CarbonylContact O-C 3.47Å; W981-R1004 VanDerWaalsContact O-CA 3.29Å; W981-R1004 WeakPolarHBondContact O-CA 3.5Å
1005	V	90.5	Very high	77.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122	175.2	-177.5	0	0	0	0	107.9	V926 G980 W981 F983 F1003 A1011 W1014	V926-V1005 HydrophobicContact CG1-CG2 4.3Å; G980-V1005 CarbonylContact C-O 3.53Å; G980-V1005 VanDerWaalsContact CA-O 3.24Å; G980-V1005 WeakPolarHBondContact CA-O 3.42Å; W981-V1005 PolarHBondContact N-O 2.93Å; W981-V1005 PolarHBondContact O-N 2.9Å; F983-V1005 HydrophobicContact CD2-CG2 3.89Å; F983-V1005 HydrophobicContact CE2-CB 4.32Å; F983-V1005 HydrophobicContact CE2-CG2 3.84Å; F1003-V1005 HydrophobicContact CD2-CG2 4.09Å; F1003-V1005 HydrophobicContact CE2-CG2 3.87Å; V1005-A1011 HydrophobicContact CG1-CB 4.41Å; V1005-W1014 HydrophobicContact CG2-CG 4.32Å
1006	D	82.2	Confident	79.5	Confident	59 Å²	59	49.6 Å²	49.6	32%	0.316	27%	0.271	S	S	.	.	S	Bend	trans	-71.1	-44.9	-175.2	48.5	13.7	0	0	0	113	R925 Y927	R925-D1006 IonicContact NH1-OD2 3.84Å; R925-D1006 PolarHBondContact NH1-OD2 2.82Å; Y927-D1006 HydrophobicContact CE2-CB 3.77Å; Y927-D1006 VanDerWaalsContact CE2-OD2 3.24Å; Y927-D1006 WeakPolarHBondContact CE2-OD2 3.36Å; Y927-D1006 PolarHBondContact OH-OD2 2.99Å
1007	N	79.9	Confident	81.7	Confident	83 Å²	83	46.4 Å²	46.4	44%	0.444	25%	0.252	S	S	.	.			trans	-88.9	122.7	-174.4	-175.5	-15.1	0	0	0	112.8	A1009 S1010 A1011	N1007-A1009 VanDerWaalsContact C-N 3.25Å; N1007-A1009 PolarHBondContact O-N 2.95Å; N1007-A1009 WeakPolarHBondContact OD1-CB 3.46Å; N1007-A1009 PolarHBondContact OD1-N 3.4Å; N1007-S1010 CarbonylContact O-C 3.52Å; N1007-S1010 WeakPolarHBondContact O-CA 3.47Å; N1007-S1010 WeakPolarHBondContact O-CB 3.45Å; N1007-S1010 PolarHBondContact O-N 3.23Å; N1007-A1011 PolarHBondContact O-N 3.16Å
1008	S	82.1	Confident	83.7	Confident	58 Å²	58	37.9 Å²	37.9	41%	0.406	22%	0.215	S	C	.	.	H	α-helix	trans	-52	-37.5	173.2	-177.3	0	0	0	0	114	S1010 A1011 K1012	S1008-S1010 VanDerWaalsContact C-N 3.29Å; S1008-S1010 PolarHBondContact O-N 2.97Å; S1008-A1011 PolarHBondContact O-N 3.02Å; S1008-K1012 WeakPolarHBondContact O-CG 3.5Å; S1008-K1012 PolarHBondContact O-N 3.09Å
1009	A	83.6	Confident	85.3	Confident	57 Å²	57	38 Å²	38	47%	0.471	23%	0.225	S	C	.	.	H	α-helix	trans	-71.4	-23.9	176.8	0	0	0	0	0	113.1	N1007	N1007-A1009 VanDerWaalsContact C-N 3.25Å; N1007-A1009 PolarHBondContact O-N 2.95Å; N1007-A1009 WeakPolarHBondContact OD1-CB 3.46Å; N1007-A1009 PolarHBondContact OD1-N 3.4Å
1010	S	84.6	Confident	86.3	Confident	35 Å²	35	42.3 Å²	42.3	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-81.2	-42	169.5	-62.8	0	0	0	0	111	N1007 S1008 K1012 K1013 W1014	N1007-S1010 CarbonylContact O-C 3.52Å; N1007-S1010 WeakPolarHBondContact O-CA 3.47Å; N1007-S1010 WeakPolarHBondContact O-CB 3.45Å; N1007-S1010 PolarHBondContact O-N 3.23Å; S1008-S1010 VanDerWaalsContact C-N 3.29Å; S1008-S1010 PolarHBondContact O-N 2.97Å; S1010-K1012 VanDerWaalsContact C-N 3.34Å; S1010-K1012 PolarHBondContact O-N 3.11Å; S1010-K1013 WeakPolarHBondContact O-CB 2.97Å; S1010-K1013 PolarHBondContact O-N 3.45Å; S1010-W1014 VanDerWaalsContact O-CD1 3.3Å; S1010-W1014 PolarHBondContact O-N 3.01Å; S1010-W1014 VanDerWaalsContact O-N 3.13Å
1011	A	88.1	Confident	86.7	Confident	2 Å²	2	45.5 Å²	45.5	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-55.4	-47.3	177	0	0	0	0	0	111.5	W981 F983 V1005 N1007 S1008 K1013 W1014 S1015	W981-A1011 HydrophobicContact CB-CB 3.69Å; W981-A1011 HydrophobicContact CD2-CB 4.19Å; W981-A1011 HydrophobicContact CG-CB 3.54Å; F983-A1011 HydrophobicContact CE2-CB 4.3Å; F983-A1011 HydrophobicContact CZ-CB 4.36Å; V1005-A1011 HydrophobicContact CG1-CB 4.41Å; N1007-A1011 PolarHBondContact O-N 3.16Å; S1008-A1011 PolarHBondContact O-N 3.02Å; A1011-K1013 PolarHBondContact O-N 2.84Å; A1011-K1013 VanDerWaalsContact O-N 3.14Å; A1011-W1014 CarbonylContact O-C 3.52Å; A1011-W1014 WeakPolarHBondContact O-CA 3.28Å; A1011-W1014 WeakPolarHBondContact O-CB 3.46Å; A1011-W1014 PolarHBondContact O-N 3.2Å; A1011-S1015 PolarHBondContact O-N 2.99Å; A1011-S1015 PolarHBondContact O-OG 3.07Å
1012	K	88.8	Confident	86.8	Confident	148 Å²	148	45.9 Å²	45.9	64%	0.643	26%	0.262	S	S	*	.	H	α-helix	trans	-54.9	-33.1	174.9	-72.1	174.2	-177.2	-178.1	0	113.9	S1008 S1010 A1016	S1008-K1012 WeakPolarHBondContact O-CG 3.5Å; S1008-K1012 PolarHBondContact O-N 3.09Å; S1010-K1012 VanDerWaalsContact C-N 3.34Å; S1010-K1012 PolarHBondContact O-N 3.11Å; K1012-A1016 VanDerWaalsContact O-CB 3.31Å; K1012-A1016 WeakPolarHBondContact O-CB 3.47Å; K1012-A1016 PolarHBondContact O-N 3.41Å; K1012-A1016 VanDerWaalsContact O-N 3.11Å
1013	K	89.4	Confident	86.3	Confident	137 Å²	137	51.8 Å²	51.8	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-73.9	-37.8	175.6	-63	175.4	-177.7	-178.2	0	111.9	V922 S1010 A1011 A1017	V922-K1013 HydrophobicContact CG2-CB 3.92Å; S1010-K1013 WeakPolarHBondContact O-CB 2.97Å; S1010-K1013 PolarHBondContact O-N 3.45Å; A1011-K1013 PolarHBondContact O-N 2.84Å; A1011-K1013 VanDerWaalsContact O-N 3.14Å; K1013-A1017 VanDerWaalsContact O-CB 3.27Å; K1013-A1017 WeakPolarHBondContact O-CB 3.45Å; K1013-A1017 PolarHBondContact O-N 3.26Å
1014	W	91.2	Very high	85.7	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-47.9	173.9	-75.5	104.7	0	0	0	111.8	V922 V926 A941 L950 F983 F1003 V1005 S1010 A1011 A1016 A1017 F1018	V922-W1014 HydrophobicContact CG1-CD2 3.98Å; V922-W1014 HydrophobicContact CG1-CE3 3.53Å; V922-W1014 HydrophobicContact CG1-CH2 4.04Å; V922-W1014 HydrophobicContact CG1-CZ2 4.44Å; V922-W1014 HydrophobicContact CG1-CZ3 3.57Å; V922-W1014 HydrophobicContact CG2-CD2 3.94Å; V922-W1014 HydrophobicContact CG2-CE3 4.37Å; V922-W1014 HydrophobicContact CG2-CG 4.18Å; V922-W1014 HydrophobicContact CG2-CZ2 4.39Å; V926-W1014 HydrophobicContact CG1-CZ2 3.86Å; A941-W1014 HydrophobicContact CB-CH2 3.7Å; A941-W1014 HydrophobicContact CB-CZ2 3.92Å; A941-W1014 WeakPolarHBondContact O-CZ2 3.33Å; L950-W1014 HydrophobicContact CD1-CH2 3.89Å; L950-W1014 HydrophobicContact CD1-CZ3 3.68Å; F983-W1014 HydrophobicContact CD2-CB 4.43Å; F983-W1014 HydrophobicContact CE1-CB 4.1Å; F983-W1014 HydrophobicContact CE2-CB 3.83Å; F983-W1014 HydrophobicContact CZ-CB 3.64Å; F1003-W1014 HydrophobicContact CE2-CD2 4.16Å; F1003-W1014 HydrophobicContact CE2-CE3 4.31Å; F1003-W1014 HydrophobicContact CZ-CD2 4.21Å; F1003-W1014 AromaticContact CZ-CE3 3.89Å; F1003-W1014 HydrophobicContact CZ-CE3 3.89Å; F1003-W1014 HydrophobicContact CZ-CZ3 4.06Å; V1005-W1014 HydrophobicContact CG2-CG 4.32Å; S1010-W1014 VanDerWaalsContact O-CD1 3.3Å; S1010-W1014 PolarHBondContact O-N 3.01Å; S1010-W1014 VanDerWaalsContact O-N 3.13Å; A1011-W1014 CarbonylContact O-C 3.52Å; A1011-W1014 WeakPolarHBondContact O-CA 3.28Å; A1011-W1014 WeakPolarHBondContact O-CB 3.46Å; A1011-W1014 PolarHBondContact O-N 3.2Å; W1014-A1016 VanDerWaalsContact C-N 3.34Å; W1014-A1016 PolarHBondContact O-N 2.79Å; W1014-A1017 PolarHBondContact O-N 3.17Å; W1014-F1018 HydrophobicContact CB-CE2 4.32Å; W1014-F1018 HydrophobicContact CE3-CE1 4.4Å; W1014-F1018 AromaticContact CE3-CE2 3.73Å; W1014-F1018 HydrophobicContact CE3-CE2 3.73Å; W1014-F1018 AromaticContact CE3-CZ 3.59Å; W1014-F1018 HydrophobicContact CE3-CZ 3.59Å; W1014-F1018 HydrophobicContact CZ3-CE2 4.49Å; W1014-F1018 AromaticContact CZ3-CZ 3.92Å; W1014-F1018 HydrophobicContact CZ3-CZ 3.92Å; W1014-F1018 VanDerWaalsContact O-CD2 3.25Å; W1014-F1018 WeakPolarHBondContact O-CD2 3.49Å; W1014-F1018 WeakPolarHBondContact O-CG 3.49Å; W1014-F1018 PolarHBondContact O-N 2.8Å
1015	S	90	Very high	84.7	Confident	21 Å²	21	56.6 Å²	56.6	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-56.2	-45.6	174.8	-56.3	0	0	0	0	111.9	E974 F983 A1011 F1018 A1019	E974-S1015 WeakPolarHBondContact OE2-CB 3.37Å; E974-S1015 PolarHBondContact OE2-OG 2.87Å; F983-S1015 WeakPolarHBondContact CE1-OG 3.21Å; F983-S1015 WeakPolarHBondContact CZ-OG 3.12Å; A1011-S1015 PolarHBondContact O-N 2.99Å; A1011-S1015 PolarHBondContact O-OG 3.07Å; S1015-F1018 PolarHBondContact O-N 3.03Å; S1015-A1019 VanDerWaalsContact O-CB 3.26Å; S1015-A1019 WeakPolarHBondContact O-CB 3.29Å; S1015-A1019 PolarHBondContact O-N 3.03Å
1016	A	89.7	Confident	83.4	Confident	60 Å²	60	61.4 Å²	61.4	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-42.8	176.7	0	0	0	0	0	112.8	K1012 W1014 F1018 D1020	K1012-A1016 VanDerWaalsContact O-CB 3.31Å; K1012-A1016 WeakPolarHBondContact O-CB 3.47Å; K1012-A1016 PolarHBondContact O-N 3.41Å; K1012-A1016 VanDerWaalsContact O-N 3.11Å; W1014-A1016 VanDerWaalsContact C-N 3.34Å; W1014-A1016 PolarHBondContact O-N 2.79Å; A1016-F1018 VanDerWaalsContact C-N 3.33Å; A1016-F1018 PolarHBondContact O-N 2.82Å; A1016-D1020 WeakPolarHBondContact O-CB 3.39Å; A1016-D1020 PolarHBondContact O-N 2.87Å
1017	A	88.6	Confident	82.3	Confident	5 Å²	5	62.3 Å²	62.3	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-29	179	0	0	0	0	0	113.4	I921 V922 L943 K1013 W1014	I921-A1017 HydrophobicContact CG2-CB 3.82Å; V922-A1017 HydrophobicContact CB-CB 3.9Å; V922-A1017 HydrophobicContact CG1-CB 3.51Å; L943-A1017 HydrophobicContact CD2-CB 4.4Å; K1013-A1017 VanDerWaalsContact O-CB 3.27Å; K1013-A1017 WeakPolarHBondContact O-CB 3.45Å; K1013-A1017 PolarHBondContact O-N 3.26Å; W1014-A1017 PolarHBondContact O-N 3.17Å
1018	F	90.3	Very high	80.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-80.8	-42.5	172.6	-66.9	-45.1	0	0	0	112.4	I967 Y972 F983 L985 F1003 W1014 S1015 A1016 D1020 K1021 L1022	I967-F1018 HydrophobicContact CD1-CD1 4.43Å; I967-F1018 HydrophobicContact CD1-CE1 4.04Å; Y972-F1018 HydrophobicContact CD1-CB 4.01Å; Y972-F1018 HydrophobicContact CD2-CB 3.97Å; Y972-F1018 HydrophobicContact CD2-CD2 4.47Å; Y972-F1018 HydrophobicContact CE1-CB 4.06Å; Y972-F1018 HydrophobicContact CE2-CB 4.03Å; Y972-F1018 HydrophobicContact CG-CB 3.96Å; F983-F1018 HydrophobicContact CB-CE2 4.35Å; F983-F1018 AromaticContact CD1-CD2 3.83Å; F983-F1018 HydrophobicContact CD1-CD2 3.83Å; F983-F1018 AromaticContact CD1-CE2 3.88Å; F983-F1018 HydrophobicContact CD1-CE2 3.88Å; F983-F1018 HydrophobicContact CE1-CD2 4.19Å; F983-F1018 HydrophobicContact CE1-CE2 4.49Å; F983-F1018 HydrophobicContact CG-CE2 4.16Å; L985-F1018 HydrophobicContact CD1-CE1 4.38Å; L985-F1018 HydrophobicContact CD1-CE2 4.14Å; L985-F1018 HydrophobicContact CD1-CZ 3.88Å; L985-F1018 HydrophobicContact CD2-CE1 3.91Å; L985-F1018 HydrophobicContact CD2-CZ 4.18Å; F1003-F1018 HydrophobicContact CE1-CE2 4.39Å; F1003-F1018 HydrophobicContact CE1-CZ 4.12Å; F1003-F1018 AromaticContact CZ-CE2 3.84Å; F1003-F1018 HydrophobicContact CZ-CE2 3.84Å; F1003-F1018 AromaticContact CZ-CZ 3.8Å; F1003-F1018 HydrophobicContact CZ-CZ 3.8Å; W1014-F1018 HydrophobicContact CB-CE2 4.32Å; W1014-F1018 HydrophobicContact CE3-CE1 4.4Å; W1014-F1018 AromaticContact CE3-CE2 3.73Å; W1014-F1018 HydrophobicContact CE3-CE2 3.73Å; W1014-F1018 AromaticContact CE3-CZ 3.59Å; W1014-F1018 HydrophobicContact CE3-CZ 3.59Å; W1014-F1018 HydrophobicContact CZ3-CE2 4.49Å; W1014-F1018 AromaticContact CZ3-CZ 3.92Å; W1014-F1018 HydrophobicContact CZ3-CZ 3.92Å; W1014-F1018 VanDerWaalsContact O-CD2 3.25Å; W1014-F1018 WeakPolarHBondContact O-CD2 3.49Å; W1014-F1018 WeakPolarHBondContact O-CG 3.49Å; W1014-F1018 PolarHBondContact O-N 2.8Å; S1015-F1018 PolarHBondContact O-N 3.03Å; A1016-F1018 VanDerWaalsContact C-N 3.33Å; A1016-F1018 PolarHBondContact O-N 2.82Å; F1018-D1020 PolarHBondContact O-N 3.12Å; F1018-K1021 CarbonylContact O-C 3.53Å; F1018-K1021 PolarHBondContact O-N 3.46Å; F1018-L1022 HydrophobicContact CB-CD1 4.33Å; F1018-L1022 HydrophobicContact CD1-CD1 3.6Å; F1018-L1022 HydrophobicContact CD1-CG 4.29Å; F1018-L1022 HydrophobicContact CE1-CD1 4.23Å; F1018-L1022 HydrophobicContact CG-CD1 4.19Å; F1018-L1022 PolarHBondContact O-N 3.21Å
1019	A	87.1	Confident	78.2	Confident	63 Å²	63	74 Å²	74	52%	0.521	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-29.1	176.9	0	0	0	0	0	113.5	Y972 S1015	Y972-A1019 WeakPolarHBondContact OH-CB 3.39Å; S1015-A1019 VanDerWaalsContact O-CB 3.26Å; S1015-A1019 WeakPolarHBondContact O-CB 3.29Å; S1015-A1019 PolarHBondContact O-N 3.03Å
1020	D	84.5	Confident	77.9	Confident	98 Å²	98	74.8 Å²	74.8	52%	0.524	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.9	176.5	173.2	50.6	0	0	0	113.6	A1016 F1018	A1016-D1020 WeakPolarHBondContact O-CB 3.39Å; A1016-D1020 PolarHBondContact O-N 2.87Å; F1018-D1020 PolarHBondContact O-N 3.12Å
1021	K	81.7	Confident	77.6	Confident	85 Å²	85	76.9 Å²	76.9	37%	0.37	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-12.8	-169.6	-65.9	-65.1	166.9	-76.5	0	117.2	I921 L948 F1018	I921-K1021 HydrophobicContact CD1-CG 4.43Å; L948-K1021 HydrophobicContact CD1-CD 4.17Å; L948-K1021 HydrophobicContact CD2-CB 4.42Å; L948-K1021 HydrophobicContact CD2-CD 3.8Å; L948-K1021 HydrophobicContact CD2-CG 3.98Å; F1018-K1021 CarbonylContact O-C 3.53Å; F1018-K1021 PolarHBondContact O-N 3.46Å
1022	L	83.1	Confident	77	Confident	20 Å²	20	81.1 Å²	81.1	11%	0.105	46%	0.46	C	S	.	.	S	Bend	trans	-134.7	155.2	-179.5	-57.8	-178	0	0	0	110.4	I967 Y970 Y972 L985 F1018	I967-L1022 HydrophobicContact CB-CD2 4.49Å; I967-L1022 HydrophobicContact CD1-CD1 4.22Å; I967-L1022 HydrophobicContact CD1-CD2 4.2Å; I967-L1022 HydrophobicContact CD1-CG 4.47Å; I967-L1022 HydrophobicContact CG1-CD2 4.37Å; I967-L1022 VanDerWaalsContact O-CD2 3.26Å; I967-L1022 WeakPolarHBondContact O-CD2 3.33Å; Y970-L1022 WeakPolarHBondContact O-CD2 3.27Å; Y972-L1022 HydrophobicContact CD1-CB 3.76Å; Y972-L1022 HydrophobicContact CD1-CD1 4.42Å; Y972-L1022 HydrophobicContact CE1-CB 4.4Å; L985-L1022 HydrophobicContact CD2-CD1 3.84Å; L985-L1022 HydrophobicContact CG-CD1 4.12Å; F1018-L1022 HydrophobicContact CB-CD1 4.33Å; F1018-L1022 HydrophobicContact CD1-CD1 3.6Å; F1018-L1022 HydrophobicContact CD1-CG 4.29Å; F1018-L1022 HydrophobicContact CE1-CD1 4.23Å; F1018-L1022 HydrophobicContact CG-CD1 4.19Å; F1018-L1022 PolarHBondContact O-N 3.21Å
1023	E	76.6	Confident	76.3	Confident	138 Å²	138	77.1 Å²	77.1	65%	0.645	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.2	171.3	-68.5	178.9	-167	0	0	111	F971 Y972	F971-E1023 CarbonylContact C-O 3.58Å; F971-E1023 VanDerWaalsContact CA-O 3.22Å; F971-E1023 WeakPolarHBondContact CA-O 3.31Å; F971-E1023 HydrophobicContact CD1-CB 3.76Å; F971-E1023 HydrophobicContact CE1-CB 3.86Å; F971-E1023 WeakPolarHBondContact CE1-OE2 3.23Å; Y972-E1023 WeakPolarHBondContact CD1-O 3.4Å; Y972-E1023 PolarHBondContact N-O 3.02Å
1024	L	76.6	Confident	75.5	Confident	104 Å²	104	73.4 Å²	73.4	55%	0.545	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137	170.7	-162.5	80.9	0	0	0	109.2	Y972 P1026	Y972-L1024 HydrophobicContact CD1-CD1 4.48Å; Y972-L1024 HydrophobicContact CD2-CD1 4.22Å; Y972-L1024 HydrophobicContact CE1-CB 4.38Å; Y972-L1024 HydrophobicContact CE1-CD1 3.99Å; Y972-L1024 HydrophobicContact CE2-CD1 3.69Å; L1024-P1026 VanDerWaalsContact O-CD 3.26Å; L1024-P1026 WeakPolarHBondContact O-CD 3.37Å
1025	D	69.9	Low	74.4	Confident	13 Å²	13	78.1 Å²	78.1	7%	0.07	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-67.5	118.4	179.7	-170.8	-30	0	0	0	111.3	F971 Y972 R973 R988 T1027	F971-D1025 HydrophobicContact CB-CB 3.92Å; Y972-D1025 PolarHBondContact O-N 3.18Å; R973-D1025 HydrophobicContact CG-CB 4.13Å; R973-D1025 IonicContact CZ-OD2 3.94Å; R973-D1025 VanDerWaalsContact NH1-CG 3.32Å; R973-D1025 IonicContact NH1-OD1 2.74Å; R973-D1025 IonicContact NH1-OD2 3.19Å; R973-D1025 PolarHBondContact NH1-OD2 3.31Å; R973-D1025 IonicContact NH2-OD2 2.68Å; R973-D1025 PolarHBondContact NH2-OD2 3.28Å; R988-D1025 IonicContact CZ-OD1 3.8Å; R988-D1025 IonicContact CZ-OD2 3.09Å; R988-D1025 IonicContact NH1-OD1 2.66Å; R988-D1025 IonicContact NH2-OD1 2.69Å; R988-D1025 PolarHBondContact NH2-OD1 3.45Å; R988-D1025 IonicContact NH2-OD2 2.79Å; R988-D1025 PolarHBondContact NH2-OD2 2.67Å; D1025-T1027 PolarHBondContact O-N 2.87Å; D1025-T1027 VanDerWaalsContact O-N 3.09Å; D1025-T1027 WeakPolarHBondContact OD1-CB 3.39Å; D1025-T1027 PolarHBondContact OD1-N 3.2Å; D1025-T1027 PolarHBondContact OD1-OG1 2.89Å; D1025-T1027 PolarHBondContact OD2-OG1 3.06Å
1026	P	63.1	Low	73.3	Confident	101 Å²	101	82.2 Å²	82.2	66%	0.656	49%	0.492	S	S	*	.			trans	-70.9	-0.6	-179	30.4	-37.4	0	0	0	114.8	L1024 R1028	L1024-P1026 VanDerWaalsContact O-CD 3.26Å; L1024-P1026 WeakPolarHBondContact O-CD 3.37Å; P1026-R1028 VanDerWaalsContact C-N 3.26Å; P1026-R1028 PolarHBondContact O-N 3.08Å; P1026-R1028 VanDerWaalsContact O-N 3.09Å
1027	T	58.7	Low	72.1	Confident	78 Å²	78	83.9 Å²	83.9	48%	0.479	49%	0.492	S	S	.	.			trans	-85.4	45.8	-176.4	55.4	0	0	0	0	114.7	R973 R988 D1025	R973-T1027 PolarHBondContact NH1-OG1 3.34Å; R988-T1027 PolarHBondContact NH2-OG1 3.22Å; D1025-T1027 PolarHBondContact O-N 2.87Å; D1025-T1027 VanDerWaalsContact O-N 3.09Å; D1025-T1027 WeakPolarHBondContact OD1-CB 3.39Å; D1025-T1027 PolarHBondContact OD1-N 3.2Å; D1025-T1027 PolarHBondContact OD1-OG1 2.89Å; D1025-T1027 PolarHBondContact OD2-OG1 3.06Å
1028	R	45	Very low	70.7	Confident	235 Å²	235	90.5 Å²	90.5	89%	0.887	53%	0.53	S	S	*	.			trans	-161.7	113.9	153.7	-117.8	172.9	-175	179	1.3	113	P1026	P1026-R1028 VanDerWaalsContact C-N 3.26Å; P1026-R1028 PolarHBondContact O-N 3.08Å; P1026-R1028 VanDerWaalsContact O-N 3.09Å
1029	G	31.9	Very low	68.9	Low	151 Å²	151	98.7 Å²	98.7	100%	1.557	58%	0.578	S	S	*	*			trans	-106.8	0	139.3	0	0	0	0	0	109.1

Retrieved 1,029 of 1,029 residues in 369.9 ms (Link to these results)

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