A0A077Z7I5_TRITR Loading...

Alpha actinin

AlphaFold DB , UniProt , Accession A0A077Z7I5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 905 aa.

						>A0A077Z7I5_TRITR|A0A077Z7I5
MVYYGESNYDYMQQEEEWDREGLLDPAWEKQQKKTFTAWCNSHLRKADTSIENIEDDFRNGLKLMLLLEVISGEELPRPDRGKMRFHKIANVNKALAFIESKGVKLVSIGAEEIVDGNVKMTLGLIWSIILRFAIQDITIEELSAKEGLLLWCQRKTAPYRNVNVQNFHTSWKDGLAFCALIHRHRPELLDYDKLSKDDPLHNLNLAFSVAEKYLDIPRMLDAEDVVHVPDPCEKAIITYVSCYYHVFCAMQKVDRNIYRPCMSELLNEAETAANRICKVLKVNQENERLMEEYEHLASDLLEWIRRWLAWFKNRSTNGTLKAVQNMLSEYREYRRREKPLKIEQKGRLETSFNTLQTKLRLSNRPAYLPSEGKMIQDINGAWNSLLNAEKGFEEWLLSEMIRLERLEHLAEKFRRKCAIHDEWTKNKEDMLSSDDYKRSYLYELKALRKRHEAFESDMSANQDRVEQIVAIARELAALHYHDLASVNDRCQRICDQWDRIGMLSTRRSQNLKDAESLMERIDQLHLELAKRAAPFSNWLDGAAEDLQDMFIVHSMDEIKNLIEAHEQFKGTLGEAEQEFRHITSLEQEIRHLVQSNGLGQEVTINPYAATNAAEVHRKWQHMQQLVPMREDQLQQELNRQQSNDRLKRLFAEKANTIGPFLEQQLANVASIALGGRGSLEQALQRLVDLYRTVQSYKTNVDELERINQQLQENYICENPFTHYTMETIFVGWETLLTNINKTINEIENQVILTRDAKGIREEQLNEFRNSYNHFDRSRQGIQSEDFKSCLVSLGYNIPPGREGDMEFQRILSIVDPNRSGRVQFDAFLDFMTRETLDMDNAEQIIESFRVLANGKPFITAEELRQELPVDQAEYCVKRMPPYLGPDAPHNSFDYVAFSHQLYGE
					

Structure Viewer

Loading PAE data...

(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	36.1	Very low	30.7	Very low	231 Å²	231	165.4 Å²	165.4	100%	1.138	81%	0.811	S	S	*	*				0	90	0	-82.2	178.7	170.2	0	0	107.3
2	V	30.4	Very low	30.6	Very low	124 Å²	124	164.4 Å²	164.4	75%	0.752	81%	0.807	S	S	*	*			trans	-122.8	110.2	177.9	179.9	0	0	0	0	105.2	Y4	V2-Y4 HydrophobicContact CG1-CD2 3.86Å; V2-Y4 HydrophobicContact CG1-CE2 3.7Å
3	Y	30.3	Very low	31	Very low	224 Å²	224	163.2 Å²	163.2	88%	0.878	80%	0.798	S	S	*	*			trans	-85.9	113.8	176	-87.3	-91.4	0	0	0	108.3
4	Y	30.6	Very low	31.4	Very low	212 Å²	212	163 Å²	163	83%	0.831	80%	0.795	S	S	*	*			trans	-107.9	110.7	157.9	-83.9	-82.4	0	0	0	106.8	V2	V2-Y4 HydrophobicContact CG1-CD2 3.86Å; V2-Y4 HydrophobicContact CG1-CE2 3.7Å
5	G	31.7	Very low	31.6	Very low	77 Å²	77	163.3 Å²	163.3	79%	0.794	79%	0.794	S	S	*	*			trans	-89.4	114.6	170.8	0	0	0	0	0	109	S7	G5-S7 PolarHBondContact O-N 2.69Å
6	E	29.9	Very low	31.7	Very low	191 Å²	191	163.5 Å²	163.5	89%	0.893	79%	0.793	S	S	*	*			trans	-75.5	112.5	167.3	-72.7	173.8	157.2	0	0	108.6	N8	E6-N8 PolarHBondContact O-N 3.39Å; E6-N8 VanDerWaalsContact O-N 3.16Å
7	S	29.3	Very low	31.9	Very low	98 Å²	98	163 Å²	163	69%	0.685	79%	0.789	S	S	*	*			trans	-78.3	88.7	166.3	42.4	0	0	0	0	109	G5 Y9	G5-S7 PolarHBondContact O-N 2.69Å; S7-Y9 PolarHBondContact O-N 3.21Å
8	N	27.8	Very low	32.3	Very low	156 Å²	156	164.7 Å²	164.7	83%	0.834	79%	0.786	S	S	*	*			trans	-74.1	100.4	166.5	-145.2	8	0	0	0	107.7	E6 D10	E6-N8 PolarHBondContact O-N 3.39Å; E6-N8 VanDerWaalsContact O-N 3.16Å; N8-D10 PolarHBondContact O-N 2.67Å; N8-D10 VanDerWaalsContact O-N 3.11Å
9	Y	29.4	Very low	32.6	Very low	206 Å²	206	164.8 Å²	164.8	81%	0.808	79%	0.791	S	S	*	*			trans	-78.4	90.8	172.4	-90	-86.1	0	0	0	108.8	S7 Y11	S7-Y9 PolarHBondContact O-N 3.21Å; Y9-Y11 PolarHBondContact O-N 2.78Å
10	D	31.1	Very low	32.9	Very low	93 Å²	93	167.8 Å²	167.8	50%	0.497	79%	0.794	S	S	.	*			trans	-71.6	113	175.4	-167	0.7	0	0	0	110.3	N8 M12	N8-D10 PolarHBondContact O-N 2.67Å; N8-D10 VanDerWaalsContact O-N 3.11Å; D10-M12 PolarHBondContact O-N 3.24Å; D10-M12 VanDerWaalsContact O-N 3.16Å; D10-M12 PolarHBondContact OD1-N 3.41Å
11	Y	31.2	Very low	33.1	Very low	207 Å²	207	165.8 Å²	165.8	81%	0.812	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	10	176	-97.7	-88.2	0	0	0	113.2	Y9	Y9-Y11 PolarHBondContact O-N 2.78Å
12	M	29.9	Very low	33.1	Very low	154 Å²	154	158.1 Å²	158.1	76%	0.759	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	17.8	-179.8	-66.5	-156.5	-84.2	0	0	115.5	D10	D10-M12 PolarHBondContact O-N 3.24Å; D10-M12 VanDerWaalsContact O-N 3.16Å; D10-M12 PolarHBondContact OD1-N 3.41Å
13	Q	35.6	Very low	33.5	Very low	149 Å²	149	159.8 Å²	159.8	70%	0.696	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-89.1	5.4	174	-81.9	-174.3	10.2	0	0	116	E15	Q13-E15 VanDerWaalsContact C-N 3.3Å; Q13-E15 PolarHBondContact O-N 3.15Å
14	Q	36.1	Very low	33.9	Very low	160 Å²	160	157.3 Å²	157.3	75%	0.748	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-77.7	-8.8	177	-101.2	177.5	38.7	0	0	114.9
15	E	34	Very low	35	Very low	167 Å²	167	152.8 Å²	152.8	78%	0.78	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-94.4	-13.7	-176.7	-72.4	-171.5	160.1	0	0	114.6	Q13	Q13-E15 VanDerWaalsContact C-N 3.3Å; Q13-E15 PolarHBondContact O-N 3.15Å
16	E	33.7	Very low	36.6	Very low	167 Å²	167	153.4 Å²	153.4	78%	0.78	75%	0.75	S	S	*	*	S	Bend	trans	-99.5	-2.8	-176.1	-78.8	-167.5	157.7	0	0	115.5
17	E	34.6	Very low	38.5	Very low	155 Å²	155	145.8 Å²	145.8	72%	0.724	72%	0.719	S	S	*	*	S	Bend	trans	-90.6	-16.8	-177.3	-130.6	174	-165.3	0	0	113.9
18	W	40.2	Very low	40.8	Very low	194 Å²	194	144.8 Å²	144.8	74%	0.735	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-80.2	-18.3	-174.2	-66.7	-15.6	0	0	0	115
19	D	37.9	Very low	43.3	Very low	166 Å²	166	139.8 Å²	139.8	89%	0.888	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-92.2	5.8	-178.1	-81.3	-23.3	0	0	0	114.3
20	R	37.7	Very low	45.9	Very low	225 Å²	225	136 Å²	136	85%	0.849	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-112.2	4.3	-177.4	-131.5	-173.6	-80.9	-163.5	-0.2	116.2
21	E	38.2	Very low	48.3	Very low	126 Å²	126	131.8 Å²	131.8	59%	0.589	64%	0.637	S	S	*	*			trans	-102.1	47.5	178.6	-76.8	-168.1	154	0	0	113.8	L23	E21-L23 VanDerWaalsContact C-N 3.34Å
22	G	35.8	Very low	50.9	Low	70 Å²	70	122.4 Å²	122.4	72%	0.722	60%	0.601	S	S	*	*	S	Bend	trans	-78.7	-11.3	174.2	0	0	0	0	0	115
23	L	37.7	Very low	53.7	Low	159 Å²	159	117.8 Å²	117.8	83%	0.832	58%	0.576	S	S	*	*	S	Bend	trans	-159.8	101.6	-180	-88.7	103.6	0	0	0	107.7	E21	E21-L23 VanDerWaalsContact C-N 3.34Å
24	L	39.4	Very low	56.2	Low	171 Å²	171	114.1 Å²	114.1	90%	0.895	56%	0.558	S	S	*	*	S	Bend	trans	170.7	127	149.6	-88.1	149.9	0	0	0	111.9
25	D	53	Low	58.6	Low	117 Å²	117	106.5 Å²	106.5	63%	0.626	52%	0.523	S	S	*	.			trans	34.1	110.6	169.5	-130.2	-20.9	0	0	0	123.3	A27	D25-A27 PolarHBondContact O-N 3.14Å
26	P	66.8	Low	61.5	Low	91 Å²	91	98.5 Å²	98.5	59%	0.591	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	5.1	172.3	-18.5	30.7	0	0	0	116.6	W28 E29 K30	P26-W28 PolarHBondContact O-N 3.45Å; P26-E29 PolarHBondContact O-N 3.19Å; P26-K30 PolarHBondContact O-N 3.33Å
27	A	70.1	Confident	64.2	Low	31 Å²	31	91.4 Å²	91.4	26%	0.256	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-39.6	-172.9	0	0	0	0	0	112.5	D25 K30 Q31 V229	D25-A27 PolarHBondContact O-N 3.14Å; A27-K30 PolarHBondContact O-N 3.4Å; A27-Q31 PolarHBondContact O-N 3.4Å; A27-Q31 VanDerWaalsContact O-N 3.08Å; A27-V229 HydrophobicContact CB-CG2 4.44Å
28	W	77.1	Confident	66.8	Low	76 Å²	76	85 Å²	85	29%	0.288	43%	0.427	S	S	.	.	H	α-helix	trans	-70.8	-38.5	-179.1	73.5	-95.9	0	0	0	112.4	P26 K30 Q31 Q32	P26-W28 PolarHBondContact O-N 3.45Å; W28-K30 VanDerWaalsContact C-N 3.31Å; W28-K30 PolarHBondContact O-N 3.12Å; W28-Q31 PolarHBondContact O-N 2.99Å; W28-Q32 HydrophobicContact CE3-CG 4.26Å; W28-Q32 PolarHBondContact O-N 2.89Å
29	E	80.5	Confident	69.3	Low	52 Å²	52	76 Å²	76	24%	0.243	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-42	176.3	-69.2	-173.4	177.4	0	0	110.6	P26 Q32 K33 K120	P26-E29 PolarHBondContact O-N 3.19Å; E29-Q32 PolarHBondContact O-N 3.33Å; E29-K33 VanDerWaalsContact O-CB 3.23Å; E29-K33 WeakPolarHBondContact O-CB 3.32Å; E29-K33 PolarHBondContact O-N 3.48Å; E29-K120 WeakPolarHBondContact OE1-CE 3.14Å; E29-K120 IonicContact OE1-NZ 2.76Å
30	K	82.6	Confident	71.9	Confident	127 Å²	127	68.1 Å²	68.1	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-63.3	-42.2	176.5	-169.2	-178.9	-179.7	-172	0	111.7	P26 A27 W28 K34	P26-K30 PolarHBondContact O-N 3.33Å; A27-K30 PolarHBondContact O-N 3.4Å; W28-K30 VanDerWaalsContact C-N 3.31Å; W28-K30 PolarHBondContact O-N 3.12Å; K30-K34 WeakPolarHBondContact O-CG 3.42Å; K30-K34 PolarHBondContact O-N 2.87Å; K30-K34 VanDerWaalsContact O-N 3.14Å
31	Q	82	Confident	74.5	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-45.1	178.2	-167.6	176.1	24.5	0	0	111.7	A27 W28 K34 T35 C233 A236	A27-Q31 PolarHBondContact O-N 3.4Å; A27-Q31 VanDerWaalsContact O-N 3.08Å; W28-Q31 PolarHBondContact O-N 2.99Å; Q31-K34 PolarHBondContact O-N 3.37Å; Q31-T35 WeakPolarHBondContact O-CB 3.26Å; Q31-T35 PolarHBondContact O-N 3.08Å; Q31-T35 PolarHBondContact O-OG1 3.42Å; Q31-C233 HydrophobicContact CG-CB 4.48Å; Q31-C233 VanDerWaalsContact OE1-CB 3.28Å; Q31-A236 HydrophobicContact CG-CB 4.19Å
32	Q	85.7	Confident	76.9	Confident	10 Å²	10	55 Å²	55	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-44.2	174.9	-75.8	-172.1	8.1	0	0	111.8	W28 E29 K34 T35 F36 L123 C233	W28-Q32 HydrophobicContact CE3-CG 4.26Å; W28-Q32 PolarHBondContact O-N 2.89Å; E29-Q32 PolarHBondContact O-N 3.33Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; Q32-K34 PolarHBondContact O-N 2.77Å; Q32-T35 PolarHBondContact O-N 3.26Å; Q32-F36 HydrophobicContact CB-CD2 4.44Å; Q32-F36 HydrophobicContact CB-CE2 4.25Å; Q32-F36 HydrophobicContact CB-CZ 4.42Å; Q32-F36 HydrophobicContact CG-CE2 4.45Å; Q32-F36 HydrophobicContact CG-CZ 4.25Å; Q32-F36 VanDerWaalsContact O-CB 3.28Å; Q32-F36 WeakPolarHBondContact O-CB 3.41Å; Q32-F36 WeakPolarHBondContact O-CG 3.27Å; Q32-F36 PolarHBondContact O-N 3.48Å; Q32-L123 HydrophobicContact CB-CD1 4.32Å; Q32-L123 HydrophobicContact CB-CD2 4.42Å; Q32-C233 HydrophobicContact CG-CB 4.49Å; Q32-C233 WeakPolarHBondContact CG-SG 3.36Å; Q32-C233 PolarHBondContact NE2-SG 2.99Å
33	K	88.8	Confident	79.4	Confident	56 Å²	56	53.6 Å²	53.6	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-47.9	178.3	-178.2	167.9	-178.6	170	0	111.3	E29 T37 N53 I54 E55 L123	E29-K33 VanDerWaalsContact O-CB 3.23Å; E29-K33 WeakPolarHBondContact O-CB 3.32Å; E29-K33 PolarHBondContact O-N 3.48Å; K33-T37 WeakPolarHBondContact O-CB 3.25Å; K33-T37 PolarHBondContact O-N 2.94Å; K33-T37 PolarHBondContact O-OG1 3.12Å; K33-N53 WeakPolarHBondContact CE-OD1 3.29Å; K33-N53 PolarHBondContact NZ-OD1 3.16Å; K33-I54 HydrophobicContact CD-CG2 4.38Å; K33-I54 HydrophobicContact CG-CG2 3.88Å; K33-E55 IonicContact NZ-OE1 3.28Å; K33-E55 PolarHBondContact NZ-OE1 3.42Å; K33-E55 IonicContact NZ-OE2 2.83Å; K33-E55 PolarHBondContact NZ-OE2 3.4Å; K33-L123 HydrophobicContact CB-CD2 4.49Å
34	K	87.4	Confident	81.9	Confident	72 Å²	72	46 Å²	46	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-51.2	175.6	-71	178	-175.6	175.2	0	111.8	K30 Q31 Q32 F36 T37 A38 D222 D225	K30-K34 WeakPolarHBondContact O-CG 3.42Å; K30-K34 PolarHBondContact O-N 2.87Å; K30-K34 VanDerWaalsContact O-N 3.14Å; Q31-K34 PolarHBondContact O-N 3.37Å; Q32-K34 VanDerWaalsContact C-N 3.34Å; Q32-K34 PolarHBondContact O-N 2.77Å; K34-F36 PolarHBondContact O-N 2.85Å; K34-T37 PolarHBondContact O-N 3.12Å; K34-A38 WeakPolarHBondContact O-CB 3.23Å; K34-A38 PolarHBondContact O-N 3.49Å; K34-D222 WeakPolarHBondContact CD-OD2 3.27Å; K34-D222 WeakPolarHBondContact CE-OD2 3.35Å; K34-D222 IonicContact NZ-OD2 3.42Å; K34-D222 PolarHBondContact NZ-OD2 2.86Å; K34-D225 IonicContact NZ-OD2 3.97Å; K34-D225 PolarHBondContact NZ-OD2 3.22Å
35	T	88.4	Confident	84.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-48.7	-174.7	-49.6	0	0	0	0	111.4	Q31 Q32 A38 W39 M220 L221 A236 T239	Q31-T35 WeakPolarHBondContact O-CB 3.26Å; Q31-T35 PolarHBondContact O-N 3.08Å; Q31-T35 PolarHBondContact O-OG1 3.42Å; Q32-T35 PolarHBondContact O-N 3.26Å; T35-A38 PolarHBondContact O-N 2.79Å; T35-W39 WeakPolarHBondContact O-CB 3.23Å; T35-W39 PolarHBondContact O-N 3.43Å; T35-M220 WeakPolarHBondContact CA-O 3.43Å; T35-M220 HydrophobicContact CG2-CB 3.83Å; T35-M220 HydrophobicContact CG2-SD 4.45Å; T35-M220 PolarHBondContact OG1-O 2.73Å; T35-L221 HydrophobicContact CG2-CD2 4.22Å; T35-L221 WeakPolarHBondContact OG1-CD2 3.42Å; T35-A236 HydrophobicContact CG2-CB 4.09Å; T35-A236 WeakPolarHBondContact OG1-CB 3.3Å; T35-T239 HydrophobicContact CG2-CG2 4.36Å
36	F	93.1	Very high	85.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.9	-35.4	-178.9	-66.8	-1.7	0	0	0	111.6	Q32 K34 W39 C40 I54 L123 I126 W127 I130 K235	Q32-F36 HydrophobicContact CB-CD2 4.44Å; Q32-F36 HydrophobicContact CB-CE2 4.25Å; Q32-F36 HydrophobicContact CB-CZ 4.42Å; Q32-F36 HydrophobicContact CG-CE2 4.45Å; Q32-F36 HydrophobicContact CG-CZ 4.25Å; Q32-F36 VanDerWaalsContact O-CB 3.28Å; Q32-F36 WeakPolarHBondContact O-CB 3.41Å; Q32-F36 WeakPolarHBondContact O-CG 3.27Å; Q32-F36 PolarHBondContact O-N 3.48Å; K34-F36 PolarHBondContact O-N 2.85Å; F36-W39 PolarHBondContact O-N 3.49Å; F36-C40 WeakPolarHBondContact O-CB 3.45Å; F36-C40 PolarHBondContact O-N 3.01Å; F36-C40 PolarHBondContact O-SG 2.99Å; F36-I54 HydrophobicContact CB-CD1 3.76Å; F36-L123 HydrophobicContact CD2-CB 4.48Å; F36-L123 HydrophobicContact CD2-CD2 3.71Å; F36-L123 HydrophobicContact CE2-CB 4.44Å; F36-L123 HydrophobicContact CE2-CD2 4.37Å; F36-L123 WeakPolarHBondContact CE2-O 3.45Å; F36-I126 HydrophobicContact CB-CG2 3.92Å; F36-I126 HydrophobicContact CD2-CB 4.23Å; F36-I126 HydrophobicContact CD2-CG2 3.97Å; F36-I126 HydrophobicContact CG-CG2 4.04Å; F36-W127 HydrophobicContact CE1-CE3 4.23Å; F36-W127 HydrophobicContact CE2-CB 3.99Å; F36-W127 HydrophobicContact CZ-CB 4.06Å; F36-W127 HydrophobicContact CZ-CD2 4.49Å; F36-W127 AromaticContact CZ-CE3 3.83Å; F36-W127 HydrophobicContact CZ-CE3 3.83Å; F36-I130 HydrophobicContact CD1-CD1 3.62Å; F36-I130 HydrophobicContact CE1-CD1 3.82Å; F36-I130 HydrophobicContact CG-CD1 4.08Å; F36-I130 HydrophobicContact CZ-CD1 4.42Å; F36-K235 HydrophobicContact CZ-CB 4.18Å
37	T	91.3	Very high	86.4	Confident	18 Å²	18	46 Å²	46	11%	0.11	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-47.9	173	-62.1	0	0	0	0	110.9	K33 K34 C40 N41 I51	K33-T37 WeakPolarHBondContact O-CB 3.25Å; K33-T37 PolarHBondContact O-N 2.94Å; K33-T37 PolarHBondContact O-OG1 3.12Å; K34-T37 PolarHBondContact O-N 3.12Å; T37-C40 PolarHBondContact O-N 3.28Å; T37-N41 WeakPolarHBondContact O-CB 3.49Å; T37-N41 PolarHBondContact O-N 2.94Å; T37-N41 PolarHBondContact O-ND2 3.15Å; T37-I51 HydrophobicContact CG2-CD1 4.42Å; T37-I51 HydrophobicContact CG2-CG1 4.17Å
38	A	89.4	Confident	87.2	Confident	21 Å²	21	52 Å²	52	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-39.9	177.8	0	0	0	0	0	112	K34 T35 N41 S42 M220	K34-A38 WeakPolarHBondContact O-CB 3.23Å; K34-A38 PolarHBondContact O-N 3.49Å; T35-A38 PolarHBondContact O-N 2.79Å; A38-N41 PolarHBondContact O-N 3.41Å; A38-S42 PolarHBondContact O-N 2.93Å; A38-M220 HydrophobicContact CB-CB 4.05Å; A38-M220 HydrophobicContact CB-CG 3.69Å
39	W	92.2	Very high	87.8	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-50.4	174.4	-176.9	84	0	0	0	111.8	T35 F36 N41 S42 H43 L67 I71 I129 I130 A134 M220 T239	T35-W39 WeakPolarHBondContact O-CB 3.23Å; T35-W39 PolarHBondContact O-N 3.43Å; F36-W39 PolarHBondContact O-N 3.49Å; W39-N41 VanDerWaalsContact C-N 3.32Å; W39-N41 PolarHBondContact O-N 3.01Å; W39-S42 WeakPolarHBondContact O-CB 3.34Å; W39-S42 PolarHBondContact O-N 3.29Å; W39-S42 VanDerWaalsContact O-N 3.11Å; W39-S42 PolarHBondContact O-OG 2.99Å; W39-H43 AromaticContact CE2-CD2 3.66Å; W39-H43 AromaticContact CE2-NE2 3.49Å; W39-H43 AromaticContact CZ2-CD2 3.73Å; W39-H43 AromaticContact CZ2-NE2 3.47Å; W39-H43 WeakPolarHBondContact CZ2-NE2 3.13Å; W39-H43 AromaticContact NE1-NE2 3.58Å; W39-H43 PolarHBondContact O-CD2 2.86Å; W39-H43 PolarHBondContact O-N 3.36Å; W39-L67 HydrophobicContact CZ3-CD2 4.34Å; W39-I71 HydrophobicContact CH2-CG2 4.27Å; W39-I129 HydrophobicContact CH2-CG2 4.23Å; W39-I129 HydrophobicContact CZ3-CG2 4.48Å; W39-I130 HydrophobicContact CD2-CD1 3.94Å; W39-I130 HydrophobicContact CD2-CG1 3.69Å; W39-I130 HydrophobicContact CE3-CD1 3.85Å; W39-I130 HydrophobicContact CE3-CG1 3.57Å; W39-I130 HydrophobicContact CG-CD1 4.33Å; W39-I130 HydrophobicContact CG-CG1 4.48Å; W39-I130 HydrophobicContact CH2-CG1 3.71Å; W39-I130 HydrophobicContact CZ2-CG1 3.82Å; W39-I130 HydrophobicContact CZ3-CD1 4.31Å; W39-I130 HydrophobicContact CZ3-CG1 3.58Å; W39-A134 HydrophobicContact CZ2-CB 4.41Å; W39-M220 HydrophobicContact CB-SD 3.87Å; W39-T239 HydrophobicContact CB-CG2 4.06Å; W39-T239 HydrophobicContact CG-CG2 3.8Å
40	C	92.5	Very high	88.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-44.4	175.8	-71.7	0	0	0	0	111.7	F36 T37 S42 H43 L44 I51 F58 L67	F36-C40 WeakPolarHBondContact O-CB 3.45Å; F36-C40 PolarHBondContact O-N 3.01Å; F36-C40 PolarHBondContact O-SG 2.99Å; T37-C40 PolarHBondContact O-N 3.28Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.47Å; C40-H43 PolarHBondContact O-N 3.4Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 WeakPolarHBondContact O-CG 3.3Å; C40-L44 PolarHBondContact O-N 2.87Å; C40-I51 HydrophobicContact CB-CD1 3.6Å; C40-I51 HydrophobicContact CB-CG1 4.27Å; C40-F58 HydrophobicContact CB-CZ 4.28Å; C40-L67 HydrophobicContact CB-CD2 4.38Å
41	N	92	Very high	88.7	Confident	41 Å²	41	45.7 Å²	45.7	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-32.5	177.6	-78.5	-27.6	0	0	0	113.3	T37 A38 W39 H43 L44 R45 S50 I51	T37-N41 WeakPolarHBondContact O-CB 3.49Å; T37-N41 PolarHBondContact O-N 2.94Å; T37-N41 PolarHBondContact O-ND2 3.15Å; A38-N41 PolarHBondContact O-N 3.41Å; W39-N41 VanDerWaalsContact C-N 3.32Å; W39-N41 PolarHBondContact O-N 3.01Å; N41-H43 PolarHBondContact O-N 3.49Å; N41-L44 PolarHBondContact O-N 2.94Å; N41-R45 VanDerWaalsContact O-CB 3.27Å; N41-R45 WeakPolarHBondContact O-CB 3.22Å; N41-R45 PolarHBondContact O-N 2.94Å; N41-S50 VanDerWaalsContact OD1-CA 3.31Å; N41-S50 WeakPolarHBondContact OD1-CA 3.49Å; N41-S50 WeakPolarHBondContact OD1-CB 3.29Å; N41-I51 PolarHBondContact ND2-O 3.43Å; N41-I51 WeakPolarHBondContact OD1-CG1 3.37Å; N41-I51 PolarHBondContact OD1-N 3.38Å; N41-I51 PolarHBondContact OD1-O 2.9Å
42	S	88.8	Confident	89	Confident	35 Å²	35	54 Å²	54	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-35	175.6	84.5	0	0	0	0	112.3	A38 W39 C40	A38-S42 PolarHBondContact O-N 2.93Å; W39-S42 WeakPolarHBondContact O-CB 3.34Å; W39-S42 PolarHBondContact O-N 3.29Å; W39-S42 VanDerWaalsContact O-N 3.11Å; W39-S42 PolarHBondContact O-OG 2.99Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.47Å
43	H	88.6	Confident	89.1	Confident	40 Å²	40	55.4 Å²	55.4	19%	0.185	28%	0.28	C	S	.	.	H	α-helix	trans	-83	-47	175.3	-70.8	-78	0	0	0	111.5	W39 C40 N41 R45 K46 L67 V70 I71	W39-H43 AromaticContact CE2-CD2 3.66Å; W39-H43 AromaticContact CE2-NE2 3.49Å; W39-H43 AromaticContact CZ2-CD2 3.73Å; W39-H43 AromaticContact CZ2-NE2 3.47Å; W39-H43 WeakPolarHBondContact CZ2-NE2 3.13Å; W39-H43 AromaticContact NE1-NE2 3.58Å; W39-H43 PolarHBondContact O-CD2 2.86Å; W39-H43 PolarHBondContact O-N 3.36Å; C40-H43 PolarHBondContact O-N 3.4Å; N41-H43 PolarHBondContact O-N 3.49Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 2.8Å; H43-K46 VanDerWaalsContact O-CB 3.32Å; H43-K46 WeakPolarHBondContact O-CB 3.31Å; H43-K46 PolarHBondContact O-N 3.36Å; H43-L67 HydrophobicContact CB-CD1 3.77Å; H43-V70 HydrophobicContact CB-CG1 4.22Å; H43-I71 HydrophobicContact CB-CG2 4.24Å
44	L	89.5	Confident	89.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-25.6	-178	-69.8	172.7	0	0	0	113.6	C40 N41 K46 A47 D48 T49 I51 L66 L67	C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 WeakPolarHBondContact O-CG 3.3Å; C40-L44 PolarHBondContact O-N 2.87Å; N41-L44 PolarHBondContact O-N 2.94Å; L44-K46 PolarHBondContact O-N 3.49Å; L44-K46 VanDerWaalsContact O-N 3.15Å; L44-A47 CarbonylContact O-C 3.59Å; L44-A47 WeakPolarHBondContact O-CA 3.43Å; L44-A47 PolarHBondContact O-N 3.28Å; L44-D48 PolarHBondContact O-N 3.46Å; L44-T49 CarbonylContact C-O 3.38Å; L44-T49 WeakPolarHBondContact CB-O 3.38Å; L44-T49 PolarHBondContact O-N 3.13Å; L44-T49 VanDerWaalsContact O-N 3.14Å; L44-T49 VanDerWaalsContact O-O 3.06Å; L44-I51 HydrophobicContact CD1-CG1 4.49Å; L44-I51 HydrophobicContact CD1-CG2 3.92Å; L44-L66 HydrophobicContact CD2-CB 4.47Å; L44-L66 HydrophobicContact CD2-CD2 4.2Å; L44-L66 HydrophobicContact CD2-CG 4.22Å; L44-L67 HydrophobicContact CD2-CB 4.12Å; L44-L67 HydrophobicContact CG-CD1 4.29Å
45	R	88	Confident	88.9	Confident	177 Å²	177	51.2 Å²	51.2	67%	0.668	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-54.8	-30.5	171.3	-179.6	-178.2	173.2	-155.7	-2	112	N41 H43 A47 D48 T49 D216	N41-R45 VanDerWaalsContact O-CB 3.27Å; N41-R45 WeakPolarHBondContact O-CB 3.22Å; N41-R45 PolarHBondContact O-N 2.94Å; H43-R45 VanDerWaalsContact C-N 3.25Å; H43-R45 PolarHBondContact O-N 2.8Å; R45-A47 VanDerWaalsContact C-N 3.27Å; R45-A47 PolarHBondContact O-N 3.02Å; R45-D48 PolarHBondContact O-N 3.45Å; R45-T49 PolarHBondContact N-O 2.94Å; R45-D216 IonicContact NH1-OD1 2.72Å; R45-D216 PolarHBondContact NH1-OD1 2.9Å
46	K	83.1	Confident	88.9	Confident	167 Å²	167	55.1 Å²	55.1	73%	0.726	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-70.2	-23.8	176	-59.2	-179.2	-179.2	179.2	0	113	H43 L44 V70	H43-K46 VanDerWaalsContact O-CB 3.32Å; H43-K46 WeakPolarHBondContact O-CB 3.31Å; H43-K46 PolarHBondContact O-N 3.36Å; L44-K46 PolarHBondContact O-N 3.49Å; L44-K46 VanDerWaalsContact O-N 3.15Å; K46-V70 HydrophobicContact CB-CG1 4.44Å; K46-V70 HydrophobicContact CD-CG1 4.49Å
47	A	83.5	Confident	88.8	Confident	34 Å²	34	56.7 Å²	56.7	28%	0.281	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-104.3	20.4	175.4	0	0	0	0	0	112.6	L44 R45 T49 L66 V70	L44-A47 CarbonylContact O-C 3.59Å; L44-A47 WeakPolarHBondContact O-CA 3.43Å; L44-A47 PolarHBondContact O-N 3.28Å; R45-A47 VanDerWaalsContact C-N 3.27Å; R45-A47 PolarHBondContact O-N 3.02Å; A47-T49 PolarHBondContact O-N 3.34Å; A47-T49 VanDerWaalsContact O-N 3.15Å; A47-T49 PolarHBondContact O-OG1 3.4Å; A47-L66 HydrophobicContact CB-CD1 4.11Å; A47-L66 HydrophobicContact CB-CD2 3.94Å; A47-L66 HydrophobicContact CB-CG 4.09Å; A47-V70 HydrophobicContact CB-CG2 3.87Å
48	D	87.2	Confident	88.8	Confident	159 Å²	159	56 Å²	56	85%	0.85	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.7	178.4	-154.4	27.3	0	0	0	113.7	L44 R45	L44-D48 PolarHBondContact O-N 3.46Å; R45-D48 PolarHBondContact O-N 3.45Å
49	T	89	Confident	88.8	Confident	46 Å²	46	58.7 Å²	58.7	28%	0.282	29%	0.293	S	S	.	.			trans	-132.8	156.2	-179.7	-62.1	0	0	0	0	110.3	L44 R45 A47 K63 L66	L44-T49 CarbonylContact C-O 3.38Å; L44-T49 WeakPolarHBondContact CB-O 3.38Å; L44-T49 PolarHBondContact O-N 3.13Å; L44-T49 VanDerWaalsContact O-N 3.14Å; L44-T49 VanDerWaalsContact O-O 3.06Å; R45-T49 PolarHBondContact N-O 2.94Å; A47-T49 PolarHBondContact O-N 3.34Å; A47-T49 VanDerWaalsContact O-N 3.15Å; A47-T49 PolarHBondContact O-OG1 3.4Å; T49-K63 HydrophobicContact CG2-CD 4.29Å; T49-K63 HydrophobicContact CG2-CG 4.38Å; T49-L66 HydrophobicContact CG2-CD2 4.45Å
50	S	90.1	Very high	88.6	Confident	72 Å²	72	61 Å²	61	50%	0.503	31%	0.305	S	S	.	.			trans	-144.7	164.3	173.2	60.7	0	0	0	0	112.4	N41 K63	N41-S50 VanDerWaalsContact OD1-CA 3.31Å; N41-S50 WeakPolarHBondContact OD1-CA 3.49Å; N41-S50 WeakPolarHBondContact OD1-CB 3.29Å; S50-K63 WeakPolarHBondContact O-CE 3.44Å; S50-K63 PolarHBondContact O-NZ 2.87Å
51	I	92	Very high	88.4	Confident	3 Å²	3	61 Å²	61	2%	0.015	31%	0.305	C	S	.	.			trans	-119.6	140.7	172	59	169.9	0	0	0	110.1	T37 C40 N41 L44 I54 D57 F58 K63	T37-I51 HydrophobicContact CG2-CD1 4.42Å; T37-I51 HydrophobicContact CG2-CG1 4.17Å; C40-I51 HydrophobicContact CB-CD1 3.6Å; C40-I51 HydrophobicContact CB-CG1 4.27Å; N41-I51 PolarHBondContact ND2-O 3.43Å; N41-I51 WeakPolarHBondContact OD1-CG1 3.37Å; N41-I51 PolarHBondContact OD1-N 3.38Å; N41-I51 PolarHBondContact OD1-O 2.9Å; L44-I51 HydrophobicContact CD1-CG1 4.49Å; L44-I51 HydrophobicContact CD1-CG2 3.92Å; I51-I54 HydrophobicContact CD1-CG1 4.13Å; I51-D57 VanDerWaalsContact CA-OD2 3.32Å; I51-D57 WeakPolarHBondContact CA-OD2 3.48Å; I51-D57 HydrophobicContact CB-CB 3.89Å; I51-D57 WeakPolarHBondContact CB-OD2 3.42Å; I51-D57 HydrophobicContact CG2-CB 3.61Å; I51-F58 HydrophobicContact CD1-CE2 3.78Å; I51-F58 HydrophobicContact CD1-CZ 3.73Å; I51-F58 HydrophobicContact CG2-CE1 4.49Å; I51-K63 HydrophobicContact CG2-CB 4.43Å; I51-K63 HydrophobicContact CG2-CD 3.42Å; I51-K63 VanDerWaalsContact CG2-CD 3.42Å
52	E	88.8	Confident	88.3	Confident	180 Å²	180	62.6 Å²	62.6	84%	0.841	31%	0.313	S	S	*	.	S	Bend	trans	-102.7	-46.7	175.1	-66.5	-174.9	175.5	0	0	110.5	D57	E52-D57 PolarHBondContact N-OD2 3.24Å
53	N	87.8	Confident	88.4	Confident	39 Å²	39	63 Å²	63	21%	0.209	31%	0.311	C	S	.	.			trans	-122.7	108.2	178.6	-169	0.8	0	0	0	110.8	K33 E55 D56 D57	K33-N53 WeakPolarHBondContact CE-OD1 3.29Å; K33-N53 PolarHBondContact NZ-OD1 3.16Å; N53-E55 PolarHBondContact ND2-OE1 3.35Å; N53-E55 PolarHBondContact O-N 3.37Å; N53-E55 VanDerWaalsContact O-N 3.12Å; N53-E55 VanDerWaalsContact OD1-CD 3.3Å; N53-E55 WeakPolarHBondContact OD1-CG 3.45Å; N53-E55 PolarHBondContact OD1-OE1 2.84Å; N53-D56 HydrophobicContact CB-CB 4.27Å; N53-D56 PolarHBondContact ND2-OD2 3.18Å; N53-D56 PolarHBondContact O-N 2.84Å; N53-D57 PolarHBondContact N-OD2 3.22Å; N53-D57 VanDerWaalsContact N-OD2 3.1Å; N53-D57 WeakPolarHBondContact O-CB 3.18Å; N53-D57 PolarHBondContact O-N 2.85Å
54	I	87.7	Confident	88.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-55.5	-33.3	-174.8	-155.8	168.8	0	0	0	113.6	K33 F36 I51 F58 L123 I126	K33-I54 HydrophobicContact CD-CG2 4.38Å; K33-I54 HydrophobicContact CG-CG2 3.88Å; F36-I54 HydrophobicContact CB-CD1 3.76Å; I51-I54 HydrophobicContact CD1-CG1 4.13Å; I54-F58 HydrophobicContact CD1-CE2 4.19Å; I54-F58 HydrophobicContact CG1-CD2 3.69Å; I54-F58 HydrophobicContact CG1-CE2 3.52Å; I54-F58 WeakPolarHBondContact O-CD2 3.48Å; I54-L123 HydrophobicContact CD1-CD2 4.33Å; I54-L123 HydrophobicContact CG2-CD2 4.29Å; I54-I126 HydrophobicContact CD1-CG1 4.14Å
55	E	84	Confident	88.6	Confident	39 Å²	39	61.4 Å²	61.4	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-80	-20.8	-177.7	75.3	-144.1	170.2	0	0	113.4	K33 N53 R59 V119	K33-E55 IonicContact NZ-OE1 3.28Å; K33-E55 PolarHBondContact NZ-OE1 3.42Å; K33-E55 IonicContact NZ-OE2 2.83Å; K33-E55 PolarHBondContact NZ-OE2 3.4Å; N53-E55 PolarHBondContact ND2-OE1 3.35Å; N53-E55 PolarHBondContact O-N 3.37Å; N53-E55 VanDerWaalsContact O-N 3.12Å; N53-E55 VanDerWaalsContact OD1-CD 3.3Å; N53-E55 WeakPolarHBondContact OD1-CG 3.45Å; N53-E55 PolarHBondContact OD1-OE1 2.84Å; E55-R59 VanDerWaalsContact O-CD 3.27Å; E55-R59 WeakPolarHBondContact O-CD 3.39Å; E55-R59 WeakPolarHBondContact O-CG 3.26Å; E55-V119 HydrophobicContact CB-CG2 4.01Å; E55-V119 HydrophobicContact CG-CG2 4.34Å; E55-V119 WeakPolarHBondContact OE2-CG2 3.14Å
56	D	87.8	Confident	88.7	Confident	81 Å²	81	55.2 Å²	55.2	43%	0.433	28%	0.283	S	S	.	.	H	α-helix	trans	-100.8	-41.1	-178.9	-73.2	-45	0	0	0	112	N53 F58 R59	N53-D56 HydrophobicContact CB-CB 4.27Å; N53-D56 PolarHBondContact ND2-OD2 3.18Å; N53-D56 PolarHBondContact O-N 2.84Å; D56-F58 PolarHBondContact O-N 2.85Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 VanDerWaalsContact O-CG 3.3Å; D56-R59 WeakPolarHBondContact O-CG 3.3Å; D56-R59 PolarHBondContact O-N 2.96Å; D56-R59 IonicContact OD1-NH1 3.34Å
57	D	91.3	Very high	89.2	Confident	34 Å²	34	47.2 Å²	47.2	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-71.8	-28.8	-172.4	-85.6	-49.8	0	0	0	113.5	I51 E52 N53 K63	I51-D57 VanDerWaalsContact CA-OD2 3.32Å; I51-D57 WeakPolarHBondContact CA-OD2 3.48Å; I51-D57 HydrophobicContact CB-CB 3.89Å; I51-D57 WeakPolarHBondContact CB-OD2 3.42Å; I51-D57 HydrophobicContact CG2-CB 3.61Å; E52-D57 PolarHBondContact N-OD2 3.24Å; N53-D57 PolarHBondContact N-OD2 3.22Å; N53-D57 VanDerWaalsContact N-OD2 3.1Å; N53-D57 WeakPolarHBondContact O-CB 3.18Å; N53-D57 PolarHBondContact O-N 2.85Å; D57-K63 HydrophobicContact CB-CD 4.18Å; D57-K63 VanDerWaalsContact CG-NZ 3.35Å; D57-K63 IonicContact OD1-NZ 3.9Å; D57-K63 PolarHBondContact OD1-NZ 3.41Å; D57-K63 IonicContact OD2-NZ 2.6Å
58	F	91.6	Very high	89.5	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.013	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.5	176.4	-71.6	-45.8	0	0	0	114.1	C40 I51 I54 D56 N60 G61 K63 L64 L67 T122 I126	C40-F58 HydrophobicContact CB-CZ 4.28Å; I51-F58 HydrophobicContact CD1-CE2 3.78Å; I51-F58 HydrophobicContact CD1-CZ 3.73Å; I51-F58 HydrophobicContact CG2-CE1 4.49Å; I54-F58 HydrophobicContact CD1-CE2 4.19Å; I54-F58 HydrophobicContact CG1-CD2 3.69Å; I54-F58 HydrophobicContact CG1-CE2 3.52Å; I54-F58 WeakPolarHBondContact O-CD2 3.48Å; D56-F58 PolarHBondContact O-N 2.85Å; F58-N60 PolarHBondContact O-N 2.96Å; F58-G61 PolarHBondContact O-N 3.01Å; F58-K63 HydrophobicContact CD1-CB 4.03Å; F58-K63 HydrophobicContact CE1-CB 4.05Å; F58-L64 HydrophobicContact CD1-CB 3.74Å; F58-L64 HydrophobicContact CD1-CD1 4.44Å; F58-L64 HydrophobicContact CE1-CB 4.23Å; F58-L64 HydrophobicContact CE1-CD1 4.48Å; F58-L64 HydrophobicContact CG-CB 4.44Å; F58-L67 HydrophobicContact CE1-CD2 4.4Å; F58-L67 HydrophobicContact CZ-CD2 3.96Å; F58-T122 HydrophobicContact CD2-CG2 4.28Å; F58-I126 HydrophobicContact CD2-CD1 4.07Å; F58-I126 HydrophobicContact CD2-CG1 4.46Å; F58-I126 HydrophobicContact CE2-CD1 3.49Å; F58-I126 VanDerWaalsContact CE2-CD1 3.49Å; F58-I126 HydrophobicContact CE2-CG1 4.07Å; F58-I126 HydrophobicContact CZ-CD1 3.98Å
59	R	90.4	Very high	89.6	Confident	78 Å²	78	40.9 Å²	40.9	29%	0.294	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.5	-176	-62.2	-179.8	64.8	167	10	114.3	E55 D56 K88 V115 D116	E55-R59 VanDerWaalsContact O-CD 3.27Å; E55-R59 WeakPolarHBondContact O-CD 3.39Å; E55-R59 WeakPolarHBondContact O-CG 3.26Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 VanDerWaalsContact O-CG 3.3Å; D56-R59 WeakPolarHBondContact O-CG 3.3Å; D56-R59 PolarHBondContact O-N 2.96Å; D56-R59 IonicContact OD1-NH1 3.34Å; R59-K88 WeakPolarHBondContact O-CB 3.32Å; R59-V115 PolarHBondContact NE-O 2.65Å; R59-V115 PolarHBondContact NH2-O 3.27Å; R59-D116 PolarHBondContact NH2-O 3.41Å
60	N	86.6	Confident	89.6	Confident	52 Å²	52	40.8 Å²	40.8	28%	0.278	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.9	179.1	69.6	18.8	0	0	0	113.8	F58 L62 K88 N91	F58-N60 PolarHBondContact O-N 2.96Å; N60-L62 PolarHBondContact O-N 3.17Å; N60-L62 VanDerWaalsContact O-N 3.1Å; N60-L62 WeakPolarHBondContact OD1-CB 3.04Å; N60-L62 PolarHBondContact OD1-N 3.25Å; N60-K88 HydrophobicContact CB-CD 4.41Å; N60-K88 HydrophobicContact CB-CG 4.31Å; N60-N91 PolarHBondContact O-ND2 2.94Å
61	G	88	Confident	89.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	72.2	-16.9	-177.9	0	0	0	0	0	115.6	F58 L64 M65	F58-G61 PolarHBondContact O-N 3.01Å; G61-L64 PolarHBondContact O-N 3.34Å; G61-M65 VanDerWaalsContact O-CG 3.26Å; G61-M65 WeakPolarHBondContact O-CG 3.04Å; G61-M65 PolarHBondContact O-N 3.34Å
62	L	90.1	Very high	89.2	Confident	74 Å²	74	40.2 Å²	40.2	39%	0.387	20%	0.201	S	C	.	.	H	α-helix	trans	-68.9	-48	-172.8	-61.6	178.1	0	0	0	112.4	N60 L64 M65 L66 P79 N91	N60-L62 PolarHBondContact O-N 3.17Å; N60-L62 VanDerWaalsContact O-N 3.1Å; N60-L62 WeakPolarHBondContact OD1-CB 3.04Å; N60-L62 PolarHBondContact OD1-N 3.25Å; L62-L64 VanDerWaalsContact C-N 3.26Å; L62-L64 PolarHBondContact O-N 3.41Å; L62-M65 PolarHBondContact O-N 3.47Å; L62-L66 PolarHBondContact O-N 3.32Å; L62-P79 HydrophobicContact CD2-CB 3.36Å; L62-P79 HydrophobicContact CD2-CG 4.06Å; L62-N91 WeakPolarHBondContact CD2-ND2 3.41Å
63	K	90.9	Very high	88.9	Confident	44 Å²	44	35 Å²	35	19%	0.191	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-29.9	177.7	-65.2	-169.4	-176.1	176.5	0	111.8	T49 S50 I51 D57 F58 L67	T49-K63 HydrophobicContact CG2-CD 4.29Å; T49-K63 HydrophobicContact CG2-CG 4.38Å; S50-K63 WeakPolarHBondContact O-CE 3.44Å; S50-K63 PolarHBondContact O-NZ 2.87Å; I51-K63 HydrophobicContact CG2-CB 4.43Å; I51-K63 HydrophobicContact CG2-CD 3.42Å; I51-K63 VanDerWaalsContact CG2-CD 3.42Å; D57-K63 HydrophobicContact CB-CD 4.18Å; D57-K63 VanDerWaalsContact CG-NZ 3.35Å; D57-K63 IonicContact OD1-NZ 3.9Å; D57-K63 PolarHBondContact OD1-NZ 3.41Å; D57-K63 IonicContact OD2-NZ 2.6Å; F58-K63 HydrophobicContact CD1-CB 4.03Å; F58-K63 HydrophobicContact CE1-CB 4.05Å; K63-L67 WeakPolarHBondContact O-CB 3.45Å; K63-L67 PolarHBondContact O-N 3.33Å
64	L	91.7	Very high	88.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-45.6	176	-179.4	63.3	0	0	0	110.8	F58 G61 L62 L67 L68 A95 L125 I126 I129	F58-L64 HydrophobicContact CD1-CB 3.74Å; F58-L64 HydrophobicContact CD1-CD1 4.44Å; F58-L64 HydrophobicContact CE1-CB 4.23Å; F58-L64 HydrophobicContact CE1-CD1 4.48Å; F58-L64 HydrophobicContact CG-CB 4.44Å; G61-L64 PolarHBondContact O-N 3.34Å; L62-L64 VanDerWaalsContact C-N 3.26Å; L62-L64 PolarHBondContact O-N 3.41Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 2.81Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.38Å; L64-A95 HydrophobicContact CD2-CB 3.79Å; L64-A95 HydrophobicContact CG-CB 3.98Å; L64-L125 HydrophobicContact CD2-CD2 3.9Å; L64-I126 HydrophobicContact CD1-CD1 4.18Å; L64-I129 HydrophobicContact CD1-CD1 3.94Å
65	M	91.5	Very high	88.5	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-47.1	174.4	-70.5	174.3	72.2	0	0	111.2	G61 L62 L67 L68 E69 L76 P77 P79 N91 K94 A95	G61-M65 VanDerWaalsContact O-CG 3.26Å; G61-M65 WeakPolarHBondContact O-CG 3.04Å; G61-M65 PolarHBondContact O-N 3.34Å; L62-M65 PolarHBondContact O-N 3.47Å; M65-L67 VanDerWaalsContact C-N 3.31Å; M65-L67 PolarHBondContact O-N 2.8Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 2.88Å; M65-L68 VanDerWaalsContact O-N 3.1Å; M65-E69 WeakPolarHBondContact O-CG 3.41Å; M65-E69 PolarHBondContact O-N 2.94Å; M65-L76 HydrophobicContact CB-CD2 4.28Å; M65-L76 HydrophobicContact CE-CB 4.18Å; M65-L76 HydrophobicContact CE-CD2 4.46Å; M65-L76 HydrophobicContact CG-CD2 4.21Å; M65-P77 WeakPolarHBondContact CE-O 3.32Å; M65-P79 HydrophobicContact CE-CB 4.3Å; M65-P79 HydrophobicContact SD-CB 4.21Å; M65-N91 HydrophobicContact SD-CB 3.97Å; M65-K94 HydrophobicContact CE-CB 4.09Å; M65-K94 HydrophobicContact CE-CD 4.21Å; M65-K94 HydrophobicContact SD-CB 4.33Å; M65-A95 HydrophobicContact CG-CB 3.98Å
66	L	90.3	Very high	88.6	Confident	47 Å²	47	45.1 Å²	45.1	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-39.7	177.7	-174.6	64.8	0	0	0	112.2	L44 A47 T49 L62 L68 E69 V70	L44-L66 HydrophobicContact CD2-CB 4.47Å; L44-L66 HydrophobicContact CD2-CD2 4.2Å; L44-L66 HydrophobicContact CD2-CG 4.22Å; A47-L66 HydrophobicContact CB-CD1 4.11Å; A47-L66 HydrophobicContact CB-CD2 3.94Å; A47-L66 HydrophobicContact CB-CG 4.09Å; T49-L66 HydrophobicContact CG2-CD2 4.45Å; L62-L66 PolarHBondContact O-N 3.32Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 2.89Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.09Å
67	L	92.5	Very high	88.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-46.1	174	177.7	65.8	0	0	0	111.1	W39 C40 H43 L44 F58 K63 L64 M65 V70 I71 I126	W39-L67 HydrophobicContact CZ3-CD2 4.34Å; C40-L67 HydrophobicContact CB-CD2 4.38Å; H43-L67 HydrophobicContact CB-CD1 3.77Å; L44-L67 HydrophobicContact CD2-CB 4.12Å; L44-L67 HydrophobicContact CG-CD1 4.29Å; F58-L67 HydrophobicContact CE1-CD2 4.4Å; F58-L67 HydrophobicContact CZ-CD2 3.96Å; K63-L67 WeakPolarHBondContact O-CB 3.45Å; K63-L67 PolarHBondContact O-N 3.33Å; L64-L67 WeakPolarHBondContact O-CB 3.47Å; L64-L67 PolarHBondContact O-N 2.81Å; M65-L67 VanDerWaalsContact C-N 3.31Å; M65-L67 PolarHBondContact O-N 2.8Å; L67-V70 PolarHBondContact O-N 3.35Å; L67-I71 HydrophobicContact CD1-CG2 4.08Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG2 3.31Å; L67-I71 PolarHBondContact O-N 3.21Å; L67-I126 HydrophobicContact CD2-CD1 4.32Å
68	L	91	Very high	88.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-40.7	178.1	-69.2	173.1	0	0	0	112.2	L64 M65 L66 I71 S72 L76 A95 F98 I99 I129 F133	L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.38Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 2.88Å; M65-L68 VanDerWaalsContact O-N 3.1Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L68-I71 HydrophobicContact CD2-CD1 3.97Å; L68-I71 WeakPolarHBondContact O-CG1 3.41Å; L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.37Å; L68-S72 PolarHBondContact O-N 3.46Å; L68-S72 PolarHBondContact O-OG 3.05Å; L68-L76 HydrophobicContact CB-CD1 4.08Å; L68-L76 HydrophobicContact CB-CD2 4.2Å; L68-L76 HydrophobicContact CD1-CD2 4.12Å; L68-A95 HydrophobicContact CD1-CB 3.65Å; L68-F98 HydrophobicContact CB-CD1 4.16Å; L68-F98 HydrophobicContact CB-CE1 4.27Å; L68-F98 HydrophobicContact CD1-CD1 4.13Å; L68-F98 HydrophobicContact CD2-CD1 4.49Å; L68-F98 HydrophobicContact CG-CD1 4.5Å; L68-I99 HydrophobicContact CD1-CD1 3.95Å; L68-I99 HydrophobicContact CD1-CG1 3.87Å; L68-I99 HydrophobicContact CD2-CD1 4.07Å; L68-I99 HydrophobicContact CD2-CG1 3.75Å; L68-I99 HydrophobicContact CG-CG1 4.48Å; L68-I129 HydrophobicContact CD2-CD1 4.06Å; L68-I129 HydrophobicContact CD2-CG1 4.25Å; L68-I129 HydrophobicContact CD2-CG2 4.3Å; L68-F133 HydrophobicContact CD2-CE2 4.34Å
69	E	89.5	Confident	87.8	Confident	59 Å²	59	56.6 Å²	56.6	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-45.4	174.7	-67.5	-179.1	161	0	0	111	M65 L66 G73 E74 L76	M65-E69 WeakPolarHBondContact O-CG 3.41Å; M65-E69 PolarHBondContact O-N 2.94Å; L66-E69 PolarHBondContact O-N 2.89Å; E69-G73 WeakPolarHBondContact O-CA 3.49Å; E69-G73 PolarHBondContact O-N 2.89Å; E69-E74 WeakPolarHBondContact CA-O 3.39Å; E69-E74 WeakPolarHBondContact CG-O 3.31Å; E69-L76 HydrophobicContact CB-CD1 4.39Å; E69-L76 HydrophobicContact CG-CB 3.94Å; E69-L76 HydrophobicContact CG-CD1 3.47Å; E69-L76 VanDerWaalsContact CG-CD1 3.47Å; E69-L76 HydrophobicContact CG-CG 4.25Å; E69-L76 WeakPolarHBondContact OE1-CB 3.46Å; E69-L76 PolarHBondContact OE1-N 3.37Å
70	V	88.7	Confident	87.6	Confident	45 Å²	45	55.6 Å²	55.6	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-38.5	-178	173.2	0	0	0	0	112.6	H43 K46 A47 L66 L67	H43-V70 HydrophobicContact CB-CG1 4.22Å; K46-V70 HydrophobicContact CB-CG1 4.44Å; K46-V70 HydrophobicContact CD-CG1 4.49Å; A47-V70 HydrophobicContact CB-CG2 3.87Å; L66-V70 VanDerWaalsContact O-CG2 3.26Å; L66-V70 WeakPolarHBondContact O-CG2 3.34Å; L66-V70 PolarHBondContact O-N 3.09Å; L67-V70 PolarHBondContact O-N 3.35Å
71	I	88.2	Confident	86.9	Confident	32 Å²	32	64.7 Å²	64.7	16%	0.164	33%	0.325	C	S	.	.	H	α-helix	trans	-80.4	-32.2	-179.2	67.5	-175.7	0	0	0	112.7	W39 H43 L67 L68 I129 F133	W39-I71 HydrophobicContact CH2-CG2 4.27Å; H43-I71 HydrophobicContact CB-CG2 4.24Å; L67-I71 HydrophobicContact CD1-CG2 4.08Å; L67-I71 WeakPolarHBondContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG2 3.31Å; L67-I71 PolarHBondContact O-N 3.21Å; L68-I71 HydrophobicContact CD2-CD1 3.97Å; L68-I71 WeakPolarHBondContact O-CG1 3.41Å; I71-I129 HydrophobicContact CD1-CG2 3.34Å; I71-F133 HydrophobicContact CD1-CB 4.12Å; I71-F133 HydrophobicContact CD1-CD1 4.33Å; I71-F133 HydrophobicContact CD1-CD2 3.64Å; I71-F133 HydrophobicContact CD1-CE2 4.07Å; I71-F133 HydrophobicContact CD1-CG 3.77Å; I71-F133 HydrophobicContact CG1-CB 4.48Å; I71-F133 HydrophobicContact CG1-CD1 4.18Å; I71-F133 HydrophobicContact CG1-CD2 4.36Å; I71-F133 HydrophobicContact CG1-CG 4.1Å
72	S	85.1	Confident	86.3	Confident	30 Å²	30	66 Å²	66	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-88	-25.3	-179.3	66.5	0	0	0	0	113.2	L68 E74 F98	L68-S72 VanDerWaalsContact O-CB 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.37Å; L68-S72 PolarHBondContact O-N 3.46Å; L68-S72 PolarHBondContact O-OG 3.05Å; S72-E74 PolarHBondContact O-N 3Å; S72-E74 PolarHBondContact OG-N 3.05Å; S72-F98 WeakPolarHBondContact OG-CZ 3.46Å
73	G	82.9	Confident	85.7	Confident	72 Å²	72	72.1 Å²	72.1	74%	0.742	36%	0.362	S	S	*	.			trans	75	6.8	-170.9	0	0	0	0	0	114.1	E69	E69-G73 WeakPolarHBondContact O-CA 3.49Å; E69-G73 PolarHBondContact O-N 2.89Å
74	E	84.4	Confident	85.3	Confident	90 Å²	90	75.4 Å²	75.4	42%	0.421	38%	0.379	S	S	.	.			trans	-109.3	144.5	-178.5	-67.5	178.3	-164.9	0	0	111.8	E69 S72 F98 K102	E69-E74 WeakPolarHBondContact CA-O 3.39Å; E69-E74 WeakPolarHBondContact CG-O 3.31Å; S72-E74 PolarHBondContact O-N 3Å; S72-E74 PolarHBondContact OG-N 3.05Å; E74-F98 HydrophobicContact CB-CE2 4.39Å; E74-F98 HydrophobicContact CB-CZ 4.25Å; E74-K102 IonicContact OE1-NZ 3.94Å; E74-K102 PolarHBondContact OE1-NZ 3.27Å; E74-K102 VanDerWaalsContact OE2-CE 3.28Å; E74-K102 WeakPolarHBondContact OE2-CE 3.44Å; E74-K102 IonicContact OE2-NZ 3.08Å; E74-K102 PolarHBondContact OE2-NZ 3.2Å
75	E	81.4	Confident	85.1	Confident	187 Å²	187	81.1 Å²	81.1	87%	0.874	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-77.8	130.5	176.5	-66.6	-170.7	165.9	0	0	111.4
76	L	86.3	Confident	84.8	Confident	14 Å²	14	86.5 Å²	86.5	7%	0.073	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-88.8	160.9	176.5	-91.1	79.8	0	0	0	111.5	M65 L68 E69 F98	M65-L76 HydrophobicContact CB-CD2 4.28Å; M65-L76 HydrophobicContact CE-CB 4.18Å; M65-L76 HydrophobicContact CE-CD2 4.46Å; M65-L76 HydrophobicContact CG-CD2 4.21Å; L68-L76 HydrophobicContact CB-CD1 4.08Å; L68-L76 HydrophobicContact CB-CD2 4.2Å; L68-L76 HydrophobicContact CD1-CD2 4.12Å; E69-L76 HydrophobicContact CB-CD1 4.39Å; E69-L76 HydrophobicContact CG-CB 3.94Å; E69-L76 HydrophobicContact CG-CD1 3.47Å; E69-L76 VanDerWaalsContact CG-CD1 3.47Å; E69-L76 HydrophobicContact CG-CG 4.25Å; E69-L76 WeakPolarHBondContact OE1-CB 3.46Å; E69-L76 PolarHBondContact OE1-N 3.37Å; L76-F98 HydrophobicContact CD1-CD1 4.01Å; L76-F98 HydrophobicContact CD1-CD2 3.94Å; L76-F98 HydrophobicContact CD1-CE1 3.97Å; L76-F98 HydrophobicContact CD1-CE2 3.9Å; L76-F98 HydrophobicContact CD1-CG 3.99Å; L76-F98 HydrophobicContact CD1-CZ 3.91Å; L76-F98 HydrophobicContact CD2-CB 3.93Å; L76-F98 HydrophobicContact CD2-CD1 4.31Å; L76-F98 HydrophobicContact CD2-CD2 4.45Å; L76-F98 HydrophobicContact CD2-CG 3.98Å; L76-F98 HydrophobicContact CG-CB 4.32Å; L76-F98 HydrophobicContact CG-CD1 4.43Å; L76-F98 HydrophobicContact CG-CD2 3.94Å; L76-F98 HydrophobicContact CG-CE2 4.37Å; L76-F98 HydrophobicContact CG-CG 3.97Å
77	P	84.6	Confident	84.6	Confident	77 Å²	77	86.3 Å²	86.3	50%	0.5	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-55.2	141.8	174.8	-24.8	33.9	0	0	0	112.1	M65 K94	M65-P77 WeakPolarHBondContact CE-O 3.32Å; P77-K94 HydrophobicContact CB-CD 4.42Å
78	R	84.3	Confident	84.6	Confident	227 Å²	227	89.4 Å²	89.4	86%	0.857	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-53.2	133.6	-174.8	-69	-175	177.8	-173.8	0.2	112.4	K94	R78-K94 PolarHBondContact O-NZ 3.3Å
79	P	86.5	Confident	84.6	Confident	55 Å²	55	90.5 Å²	90.5	36%	0.357	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-72.5	146.9	-178.7	27.2	-33.6	0	0	0	112.2	L62 M65 R81 N91	L62-P79 HydrophobicContact CD2-CB 3.36Å; L62-P79 HydrophobicContact CD2-CG 4.06Å; M65-P79 HydrophobicContact CE-CB 4.3Å; M65-P79 HydrophobicContact SD-CB 4.21Å; P79-R81 PolarHBondContact O-N 3.48Å; P79-N91 WeakPolarHBondContact CA-OD1 3.4Å
80	D	85.7	Confident	84.6	Confident	56 Å²	56	89.1 Å²	89.1	30%	0.299	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-77.2	117.8	174.8	-60.7	-45.2	0	0	0	109.8	G82 A90 N91 K94	D80-G82 PolarHBondContact O-N 3.29Å; D80-G82 VanDerWaalsContact O-N 3.13Å; D80-A90 WeakPolarHBondContact OD2-CB 3.46Å; D80-N91 PolarHBondContact N-OD1 2.92Å; D80-N91 PolarHBondContact O-ND2 3.44Å; D80-N91 VanDerWaalsContact O-ND2 3.14Å; D80-K94 IonicContact OD1-NZ 2.71Å; D80-K94 PolarHBondContact OD1-NZ 3.18Å; D80-K94 IonicContact OD2-NZ 2.93Å; D80-K94 PolarHBondContact OD2-NZ 2.65Å
81	R	72.1	Confident	84.8	Confident	244 Å²	244	87.1 Å²	87.1	92%	0.921	43%	0.428	S	S	*	.			trans	-86.3	80.6	-176.9	-64.4	-176.3	178.5	-175.9	-1.3	110.4	P79	P79-R81 PolarHBondContact O-N 3.48Å
82	G	74.2	Confident	85	Confident	28 Å²	28	85.6 Å²	85.6	29%	0.289	42%	0.42	S	S	.	.			trans	-152.1	150.8	176.4	0	0	0	0	0	114.2	D80 H87	D80-G82 PolarHBondContact O-N 3.29Å; D80-G82 VanDerWaalsContact O-N 3.13Å; G82-H87 WeakPolarHBondContact CA-ND1 3.4Å
83	K	78.8	Confident	85.3	Confident	202 Å²	202	88 Å²	88	88%	0.878	43%	0.43	S	S	*	.			trans	-86.6	-18	-177.7	-66	-173.6	179	-177	0	114
84	M	80.8	Confident	85.7	Confident	112 Å²	112	87 Å²	87	55%	0.552	41%	0.405	S	S	*	.	S	Bend	trans	-70.5	149.1	-177.1	-58.9	-164.4	-86.7	0	0	112.2	F86 H87 K88	M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 HydrophobicContact CB-CD1 3.77Å; M84-F86 HydrophobicContact CB-CE1 3.63Å; M84-F86 HydrophobicContact CB-CZ 4.48Å; M84-F86 HydrophobicContact CE-CD1 4.49Å; M84-F86 HydrophobicContact CE-CE1 3.28Å; M84-F86 HydrophobicContact CE-CZ 3.55Å; M84-F86 HydrophobicContact CG-CE1 4.22Å; M84-F86 PolarHBondContact O-N 3.41Å; M84-F86 VanDerWaalsContact O-N 3.17Å; M84-F86 HydrophobicContact SD-CE1 3.76Å; M84-H87 WeakPolarHBondContact O-CB 3.28Å; M84-H87 PolarHBondContact O-N 3.09Å; M84-K88 PolarHBondContact O-N 3.17Å
85	R	88	Confident	86.1	Confident	121 Å²	121	82.7 Å²	82.7	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-51.5	-40.5	-176.3	-175.4	175.1	177.1	-89.6	1.1	113.1	H87 K88 I89 V115 D116	R85-H87 VanDerWaalsContact C-N 3.33Å; R85-H87 PolarHBondContact O-N 3.09Å; R85-K88 WeakPolarHBondContact O-CB 3.48Å; R85-K88 PolarHBondContact O-N 3.08Å; R85-K88 VanDerWaalsContact O-N 3.13Å; R85-I89 HydrophobicContact CG-CD1 4.06Å; R85-I89 VanDerWaalsContact NH1-CD1 3.32Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 2.88Å; R85-V115 HydrophobicContact CG-CG1 3.92Å; R85-D116 IonicContact CZ-OD1 2.88Å; R85-D116 IonicContact CZ-OD2 3.6Å; R85-D116 IonicContact NE-OD1 3.14Å; R85-D116 PolarHBondContact NE-OD1 2.81Å; R85-D116 IonicContact NE-OD2 3.6Å; R85-D116 VanDerWaalsContact NH2-CG 3.25Å; R85-D116 IonicContact NH2-OD1 2.59Å; R85-D116 PolarHBondContact NH2-OD1 3.48Å; R85-D116 IonicContact NH2-OD2 2.81Å; R85-D116 PolarHBondContact NH2-OD2 2.92Å
86	F	85.8	Confident	86.6	Confident	119 Å²	119	74.3 Å²	74.3	52%	0.522	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-31	179.9	75.3	-96.1	0	0	0	113.6	M84 K88 I89 A90	M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 HydrophobicContact CB-CD1 3.77Å; M84-F86 HydrophobicContact CB-CE1 3.63Å; M84-F86 HydrophobicContact CB-CZ 4.48Å; M84-F86 HydrophobicContact CE-CD1 4.49Å; M84-F86 HydrophobicContact CE-CE1 3.28Å; M84-F86 HydrophobicContact CE-CZ 3.55Å; M84-F86 HydrophobicContact CG-CE1 4.22Å; M84-F86 PolarHBondContact O-N 3.41Å; M84-F86 VanDerWaalsContact O-N 3.17Å; M84-F86 HydrophobicContact SD-CE1 3.76Å; F86-K88 VanDerWaalsContact C-N 3.32Å; F86-I89 PolarHBondContact O-N 3.3Å; F86-A90 WeakPolarHBondContact O-CB 3.2Å; F86-A90 PolarHBondContact O-N 3.37Å
87	H	86.6	Confident	86.7	Confident	42 Å²	42	76.3 Å²	76.3	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-67.1	-37.4	173.7	-60	116.5	0	0	0	111.1	G82 M84 R85 A90 N91	G82-H87 WeakPolarHBondContact CA-ND1 3.4Å; M84-H87 WeakPolarHBondContact O-CB 3.28Å; M84-H87 PolarHBondContact O-N 3.09Å; R85-H87 VanDerWaalsContact C-N 3.33Å; R85-H87 PolarHBondContact O-N 3.09Å; H87-A90 PolarHBondContact O-N 3.34Å; H87-N91 PolarHBondContact O-N 2.81Å; H87-N91 PolarHBondContact O-ND2 3.42Å
88	K	91.2	Very high	87	Confident	65 Å²	65	73.6 Å²	73.6	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-45.3	175	-58.7	-174.7	177.7	-173.6	0	111.1	R59 N60 M84 R85 F86 A90 N91 V92 V115	R59-K88 WeakPolarHBondContact O-CB 3.32Å; N60-K88 HydrophobicContact CB-CD 4.41Å; N60-K88 HydrophobicContact CB-CG 4.31Å; M84-K88 PolarHBondContact O-N 3.17Å; R85-K88 WeakPolarHBondContact O-CB 3.48Å; R85-K88 PolarHBondContact O-N 3.08Å; R85-K88 VanDerWaalsContact O-N 3.13Å; F86-K88 VanDerWaalsContact C-N 3.32Å; K88-A90 VanDerWaalsContact C-N 3.33Å; K88-A90 PolarHBondContact O-N 2.97Å; K88-N91 PolarHBondContact O-N 3.41Å; K88-V92 WeakPolarHBondContact O-CG2 3.06Å; K88-V92 PolarHBondContact O-N 2.88Å; K88-V115 HydrophobicContact CB-CG1 3.84Å; K88-V115 HydrophobicContact CB-CG2 3.96Å; K88-V115 HydrophobicContact CD-CG1 4.17Å
89	I	90.9	Very high	87.2	Confident	24 Å²	24	62.8 Å²	62.8	12%	0.123	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-43.2	176	-67.4	171.2	0	0	0	110.7	R85 F86 N91 V92 N93 A111 E112 V115	R85-I89 HydrophobicContact CG-CD1 4.06Å; R85-I89 VanDerWaalsContact NH1-CD1 3.32Å; R85-I89 WeakPolarHBondContact O-CG1 3.36Å; R85-I89 PolarHBondContact O-N 2.88Å; F86-I89 PolarHBondContact O-N 3.3Å; I89-N91 VanDerWaalsContact C-N 3.35Å; I89-N91 PolarHBondContact O-N 3.41Å; I89-V92 PolarHBondContact O-N 3.48Å; I89-N93 WeakPolarHBondContact CG2-ND2 3.32Å; I89-N93 WeakPolarHBondContact O-CB 3.49Å; I89-N93 PolarHBondContact O-N 3.48Å; I89-N93 PolarHBondContact O-ND2 2.96Å; I89-A111 HydrophobicContact CG2-CB 4.2Å; I89-E112 HydrophobicContact CD1-CG 4.42Å; I89-V115 HydrophobicContact CB-CG2 4.44Å; I89-V115 HydrophobicContact CG1-CB 4.08Å; I89-V115 HydrophobicContact CG1-CG1 4.13Å; I89-V115 HydrophobicContact CG1-CG2 3.75Å
90	A	90	Very high	87.3	Confident	30 Å²	30	65.4 Å²	65.4	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-42.6	176.8	0	0	0	0	0	112.4	D80 F86 H87 K88 N93 K94	D80-A90 WeakPolarHBondContact OD2-CB 3.46Å; F86-A90 WeakPolarHBondContact O-CB 3.2Å; F86-A90 PolarHBondContact O-N 3.37Å; H87-A90 PolarHBondContact O-N 3.34Å; K88-A90 VanDerWaalsContact C-N 3.33Å; K88-A90 PolarHBondContact O-N 2.97Å; A90-N93 PolarHBondContact O-N 3.42Å; A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.35Å
91	N	92.5	Very high	87.4	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42.7	175.7	-68.8	-25.9	0	0	0	112.5	N60 L62 M65 P79 D80 H87 K88 I89 K94 A95	N60-N91 PolarHBondContact O-ND2 2.94Å; L62-N91 WeakPolarHBondContact CD2-ND2 3.41Å; M65-N91 HydrophobicContact SD-CB 3.97Å; P79-N91 WeakPolarHBondContact CA-OD1 3.4Å; D80-N91 PolarHBondContact N-OD1 2.92Å; D80-N91 PolarHBondContact O-ND2 3.44Å; D80-N91 VanDerWaalsContact O-ND2 3.14Å; H87-N91 PolarHBondContact O-N 2.81Å; H87-N91 PolarHBondContact O-ND2 3.42Å; K88-N91 PolarHBondContact O-N 3.41Å; I89-N91 VanDerWaalsContact C-N 3.35Å; I89-N91 PolarHBondContact O-N 3.41Å; N91-K94 PolarHBondContact O-N 3.03Å; N91-A95 PolarHBondContact O-N 3.14Å
92	V	92.3	Very high	87.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-42.7	175.8	174.7	0	0	0	0	110.8	K88 I89 K94 A95 L96 A111 I114 V115	K88-V92 WeakPolarHBondContact O-CG2 3.06Å; K88-V92 PolarHBondContact O-N 2.88Å; I89-V92 PolarHBondContact O-N 3.48Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3.27Å; V92-A95 CarbonylContact O-C 3.34Å; V92-A95 WeakPolarHBondContact O-CA 3.29Å; V92-A95 WeakPolarHBondContact O-CB 3.3Å; V92-A95 PolarHBondContact O-N 3.12Å; V92-L96 HydrophobicContact CG1-CD1 4.15Å; V92-L96 HydrophobicContact CG1-CG 4.08Å; V92-L96 WeakPolarHBondContact O-CG 3.2Å; V92-L96 PolarHBondContact O-N 2.97Å; V92-A111 HydrophobicContact CB-CB 4.09Å; V92-A111 HydrophobicContact CG1-CB 3.69Å; V92-I114 HydrophobicContact CG1-CB 3.99Å; V92-I114 HydrophobicContact CG1-CG1 4.2Å; V92-I114 HydrophobicContact CG1-CG2 4.27Å; V92-I114 HydrophobicContact CG2-CG2 4.22Å; V92-V115 HydrophobicContact CB-CG2 4.3Å; V92-V115 HydrophobicContact CG2-CG2 3.74Å
93	N	92.8	Very high	88	Confident	79 Å²	79	58.8 Å²	58.8	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-39.3	175.6	-83.9	-38.8	0	0	0	112.7	I89 A90 A95 L96 A97 A111	I89-N93 WeakPolarHBondContact CG2-ND2 3.32Å; I89-N93 WeakPolarHBondContact O-CB 3.49Å; I89-N93 PolarHBondContact O-N 3.48Å; I89-N93 PolarHBondContact O-ND2 2.96Å; A90-N93 PolarHBondContact O-N 3.42Å; N93-A95 VanDerWaalsContact C-N 3.29Å; N93-A95 PolarHBondContact O-N 3.49Å; N93-L96 PolarHBondContact O-N 3.24Å; N93-A97 WeakPolarHBondContact O-CB 3.42Å; N93-A97 PolarHBondContact O-N 3.11Å; N93-A111 WeakPolarHBondContact OD1-CB 3.19Å
94	K	91.4	Very high	88.2	Confident	51 Å²	51	50 Å²	50	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-41.4	173	-73.6	169	178.7	167.3	0	111.5	M65 P77 R78 D80 A90 N91 V92 F98	M65-K94 HydrophobicContact CE-CB 4.09Å; M65-K94 HydrophobicContact CE-CD 4.21Å; M65-K94 HydrophobicContact SD-CB 4.33Å; P77-K94 HydrophobicContact CB-CD 4.42Å; R78-K94 PolarHBondContact O-NZ 3.3Å; D80-K94 IonicContact OD1-NZ 2.71Å; D80-K94 PolarHBondContact OD1-NZ 3.18Å; D80-K94 IonicContact OD2-NZ 2.93Å; D80-K94 PolarHBondContact OD2-NZ 2.65Å; A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.35Å; N91-K94 PolarHBondContact O-N 3.03Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 3.27Å; K94-F98 PolarHBondContact O-N 3.47Å
95	A	91.9	Very high	88.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-44.9	175.6	0	0	0	0	0	112.4	L64 M65 L68 N91 V92 N93 F98 I99	L64-A95 HydrophobicContact CD2-CB 3.79Å; L64-A95 HydrophobicContact CG-CB 3.98Å; M65-A95 HydrophobicContact CG-CB 3.98Å; L68-A95 HydrophobicContact CD1-CB 3.65Å; N91-A95 PolarHBondContact O-N 3.14Å; V92-A95 CarbonylContact O-C 3.34Å; V92-A95 WeakPolarHBondContact O-CA 3.29Å; V92-A95 WeakPolarHBondContact O-CB 3.3Å; V92-A95 PolarHBondContact O-N 3.12Å; N93-A95 VanDerWaalsContact C-N 3.29Å; N93-A95 PolarHBondContact O-N 3.49Å; A95-F98 WeakPolarHBondContact O-CB 3.33Å; A95-F98 PolarHBondContact O-N 3.36Å; A95-I99 WeakPolarHBondContact O-CG1 3.36Å; A95-I99 PolarHBondContact O-N 2.92Å
96	L	92.1	Very high	87.8	Confident	12 Å²	12	48.9 Å²	48.9	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-43.7	179.2	-62.3	-175.4	0	0	0	111.8	V92 N93 F98 I99 E100 L106 A111 L125	V92-L96 HydrophobicContact CG1-CD1 4.15Å; V92-L96 HydrophobicContact CG1-CG 4.08Å; V92-L96 WeakPolarHBondContact O-CG 3.2Å; V92-L96 PolarHBondContact O-N 2.97Å; N93-L96 PolarHBondContact O-N 3.24Å; L96-F98 VanDerWaalsContact C-N 3.25Å; L96-F98 PolarHBondContact O-N 3.03Å; L96-I99 HydrophobicContact CD2-CD1 4.47Å; L96-I99 WeakPolarHBondContact O-CB 3.39Å; L96-I99 PolarHBondContact O-N 3.26Å; L96-E100 PolarHBondContact O-N 3.44Å; L96-L106 HydrophobicContact CB-CD1 3.88Å; L96-L106 HydrophobicContact CD2-CD1 3.84Å; L96-L106 HydrophobicContact CG-CD1 4.3Å; L96-A111 HydrophobicContact CD1-CB 3.94Å; L96-L125 HydrophobicContact CD2-CD1 3.66Å; L96-L125 HydrophobicContact CD2-CD2 3.89Å; L96-L125 HydrophobicContact CD2-CG 4.45Å
97	A	89	Confident	87.2	Confident	55 Å²	55	48.2 Å²	48.2	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-35.2	176.2	0	0	0	0	0	112.4	N93 S101	N93-A97 WeakPolarHBondContact O-CB 3.42Å; N93-A97 PolarHBondContact O-N 3.11Å; A97-S101 WeakPolarHBondContact O-CB 3.32Å; A97-S101 PolarHBondContact O-N 3.46Å
98	F	90.9	Very high	86.7	Confident	21 Å²	21	50.8 Å²	50.8	9%	0.092	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-39.2	173	-176.4	-95.4	0	0	0	112	L68 S72 E74 L76 K94 A95 L96 S101 K102 F133	L68-F98 HydrophobicContact CB-CD1 4.16Å; L68-F98 HydrophobicContact CB-CE1 4.27Å; L68-F98 HydrophobicContact CD1-CD1 4.13Å; L68-F98 HydrophobicContact CD2-CD1 4.49Å; L68-F98 HydrophobicContact CG-CD1 4.5Å; S72-F98 WeakPolarHBondContact OG-CZ 3.46Å; E74-F98 HydrophobicContact CB-CE2 4.39Å; E74-F98 HydrophobicContact CB-CZ 4.25Å; L76-F98 HydrophobicContact CD1-CD1 4.01Å; L76-F98 HydrophobicContact CD1-CD2 3.94Å; L76-F98 HydrophobicContact CD1-CE1 3.97Å; L76-F98 HydrophobicContact CD1-CE2 3.9Å; L76-F98 HydrophobicContact CD1-CG 3.99Å; L76-F98 HydrophobicContact CD1-CZ 3.91Å; L76-F98 HydrophobicContact CD2-CB 3.93Å; L76-F98 HydrophobicContact CD2-CD1 4.31Å; L76-F98 HydrophobicContact CD2-CD2 4.45Å; L76-F98 HydrophobicContact CD2-CG 3.98Å; L76-F98 HydrophobicContact CG-CB 4.32Å; L76-F98 HydrophobicContact CG-CD1 4.43Å; L76-F98 HydrophobicContact CG-CD2 3.94Å; L76-F98 HydrophobicContact CG-CE2 4.37Å; L76-F98 HydrophobicContact CG-CG 3.97Å; K94-F98 PolarHBondContact O-N 3.47Å; A95-F98 WeakPolarHBondContact O-CB 3.33Å; A95-F98 PolarHBondContact O-N 3.36Å; L96-F98 VanDerWaalsContact C-N 3.25Å; L96-F98 PolarHBondContact O-N 3.03Å; F98-S101 PolarHBondContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.3Å; F98-K102 HydrophobicContact CD1-CG 4.45Å; F98-K102 HydrophobicContact CE1-CG 4.12Å; F98-K102 HydrophobicContact CZ-CG 4.28Å; F98-K102 WeakPolarHBondContact O-CG 3.23Å; F98-K102 PolarHBondContact O-N 3.22Å; F98-F133 HydrophobicContact CE1-CZ 4.3Å
99	I	88.7	Confident	86.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-41.9	177.2	-68.2	163.7	0	0	0	111	L68 A95 L96 K102 V104 L106 L125 I129	L68-I99 HydrophobicContact CD1-CD1 3.95Å; L68-I99 HydrophobicContact CD1-CG1 3.87Å; L68-I99 HydrophobicContact CD2-CD1 4.07Å; L68-I99 HydrophobicContact CD2-CG1 3.75Å; L68-I99 HydrophobicContact CG-CG1 4.48Å; A95-I99 WeakPolarHBondContact O-CG1 3.36Å; A95-I99 PolarHBondContact O-N 2.92Å; L96-I99 HydrophobicContact CD2-CD1 4.47Å; L96-I99 WeakPolarHBondContact O-CB 3.39Å; L96-I99 PolarHBondContact O-N 3.26Å; I99-K102 CarbonylContact O-C 3.55Å; I99-K102 PolarHBondContact O-N 3.38Å; I99-V104 HydrophobicContact CG2-CB 3.56Å; I99-V104 HydrophobicContact CG2-CG1 3.78Å; I99-V104 HydrophobicContact CG2-CG2 3.93Å; I99-V104 PolarHBondContact O-N 3.38Å; I99-L106 HydrophobicContact CG2-CD1 4.32Å; I99-L106 HydrophobicContact CG2-CD2 4.02Å; I99-L106 HydrophobicContact CG2-CG 4.34Å; I99-L125 HydrophobicContact CD1-CD1 3.82Å; I99-I129 HydrophobicContact CD1-CD1 3.66Å; I99-I129 HydrophobicContact CD1-CG1 3.77Å; I99-I129 HydrophobicContact CG1-CG1 4.25Å
100	E	87.7	Confident	86.1	Confident	109 Å²	109	48.8 Å²	48.8	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-40.6	175.9	-71.4	-177.4	156.1	0	0	112.2	L96 K102 G103 L106	L96-E100 PolarHBondContact O-N 3.44Å; E100-K102 PolarHBondContact O-N 2.83Å; E100-G103 PolarHBondContact O-N 3.02Å; E100-L106 HydrophobicContact CG-CD1 3.74Å; E100-L106 HydrophobicContact CG-CG 4.08Å
101	S	87.3	Confident	86	Confident	88 Å²	88	47.5 Å²	47.5	62%	0.615	28%	0.28	S	S	*	.	H	α-helix	trans	-64.7	-26	176.9	78.5	0	0	0	0	112.6	A97 F98 G103	A97-S101 WeakPolarHBondContact O-CB 3.32Å; A97-S101 PolarHBondContact O-N 3.46Å; F98-S101 PolarHBondContact O-N 3.15Å; F98-S101 PolarHBondContact O-OG 3.3Å; S101-G103 PolarHBondContact O-N 3.36Å
102	K	80.6	Confident	85.8	Confident	50 Å²	50	51.9 Å²	51.9	22%	0.217	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	16.3	171.7	-61	-64.6	179.7	-174.4	0	113	E74 F98 I99 E100 R132 F133	E74-K102 IonicContact OE1-NZ 3.94Å; E74-K102 PolarHBondContact OE1-NZ 3.27Å; E74-K102 VanDerWaalsContact OE2-CE 3.28Å; E74-K102 WeakPolarHBondContact OE2-CE 3.44Å; E74-K102 IonicContact OE2-NZ 3.08Å; E74-K102 PolarHBondContact OE2-NZ 3.2Å; F98-K102 HydrophobicContact CD1-CG 4.45Å; F98-K102 HydrophobicContact CE1-CG 4.12Å; F98-K102 HydrophobicContact CZ-CG 4.28Å; F98-K102 WeakPolarHBondContact O-CG 3.23Å; F98-K102 PolarHBondContact O-N 3.22Å; I99-K102 CarbonylContact O-C 3.55Å; I99-K102 PolarHBondContact O-N 3.38Å; E100-K102 PolarHBondContact O-N 2.83Å; K102-R132 PolarHBondContact O-NE 2.93Å; K102-R132 PolarHBondContact O-NH1 3.31Å; K102-R132 PolarHBondContact O-NH2 2.91Å; K102-F133 HydrophobicContact CB-CZ 4.11Å; K102-F133 HydrophobicContact CG-CZ 4.01Å
103	G	79	Confident	85.7	Confident	52 Å²	52	55.4 Å²	55.4	54%	0.536	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	17.3	168.2	0	0	0	0	0	115.3	E100 S101	E100-G103 PolarHBondContact O-N 3.02Å; S101-G103 PolarHBondContact O-N 3.36Å
104	V	83.3	Confident	85.6	Confident	17 Å²	17	51.7 Å²	51.7	10%	0.103	30%	0.297	C	S	.	.			trans	-93.2	124.3	175.1	179.8	0	0	0	0	109.6	I99 L106 R132	I99-V104 HydrophobicContact CG2-CB 3.56Å; I99-V104 HydrophobicContact CG2-CG1 3.78Å; I99-V104 HydrophobicContact CG2-CG2 3.93Å; I99-V104 PolarHBondContact O-N 3.38Å; V104-L106 HydrophobicContact CG1-CD2 4.07Å; V104-L106 PolarHBondContact O-N 2.94Å; V104-R132 HydrophobicContact CG2-CB 3.56Å; V104-R132 HydrophobicContact CG2-CG 3.61Å
105	K	78.2	Confident	85.5	Confident	185 Å²	185	49.4 Å²	49.4	80%	0.804	29%	0.287	S	S	*	.			trans	-81.8	110.4	172.6	-71	-175.7	179.5	179.5	0	110.2	V107	K105-V107 HydrophobicContact CB-CG2 4.5Å; K105-V107 PolarHBondContact O-N 3.11Å
106	L	80.8	Confident	85.4	Confident	25 Å²	25	53.2 Å²	53.2	13%	0.131	31%	0.308	C	S	.	.			trans	-87.4	80.4	175.9	-62.7	176.9	0	0	0	110.1	L96 I99 E100 V104 L125	L96-L106 HydrophobicContact CB-CD1 3.88Å; L96-L106 HydrophobicContact CD2-CD1 3.84Å; L96-L106 HydrophobicContact CG-CD1 4.3Å; I99-L106 HydrophobicContact CG2-CD1 4.32Å; I99-L106 HydrophobicContact CG2-CD2 4.02Å; I99-L106 HydrophobicContact CG2-CG 4.34Å; E100-L106 HydrophobicContact CG-CD1 3.74Å; E100-L106 HydrophobicContact CG-CG 4.08Å; V104-L106 HydrophobicContact CG1-CD2 4.07Å; V104-L106 PolarHBondContact O-N 2.94Å; L106-L125 HydrophobicContact CD2-CD1 3.9Å
107	V	73.9	Confident	85.1	Confident	105 Å²	105	53.5 Å²	53.5	64%	0.636	31%	0.313	S	S	*	.	S	Bend	trans	-78.8	124.3	174.2	-173.5	0	0	0	0	108.7	K105 I109	K105-V107 HydrophobicContact CB-CG2 4.5Å; K105-V107 PolarHBondContact O-N 3.11Å; V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 3.06Å; V107-I109 VanDerWaalsContact O-N 3.17Å
108	S	77.3	Confident	85	Confident	96 Å²	96	53.6 Å²	53.6	67%	0.671	31%	0.306	S	S	*	.	S	Bend	trans	69	-2	177.1	-52.4	0	0	0	0	117.4	M121	S108-M121 WeakPolarHBondContact O-CE 3.32Å
109	I	82.8	Confident	84.9	Confident	23 Å²	23	54.6 Å²	54.6	12%	0.118	31%	0.314	C	S	.	.			trans	-95.4	100.6	179.7	-56.2	174.2	0	0	0	111	V107 I114 M121 L125	V107-I109 VanDerWaalsContact C-N 3.26Å; V107-I109 PolarHBondContact O-N 3.06Å; V107-I109 VanDerWaalsContact O-N 3.17Å; I109-I114 HydrophobicContact CG2-CD1 4.17Å; I109-I114 HydrophobicContact CG2-CG1 4.48Å; I109-M121 HydrophobicContact CG1-CE 4.22Å; I109-L125 HydrophobicContact CD1-CB 4.25Å; I109-L125 HydrophobicContact CG2-CB 4.27Å; I109-L125 HydrophobicContact CG2-CD1 4.4Å
110	G	84.6	Confident	84.7	Confident	24 Å²	24	59.7 Å²	59.7	25%	0.247	34%	0.336	C	S	.	.			trans	-91.1	157	174.1	0	0	0	0	0	113.7	E112 E113	G110-E112 PolarHBondContact O-N 3.49Å; G110-E113 PolarHBondContact O-N 3.35Å
111	A	88.7	Confident	84.8	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-29.1	176.8	0	0	0	0	0	112.8	I89 V92 N93 L96 I114 V115	I89-A111 HydrophobicContact CG2-CB 4.2Å; V92-A111 HydrophobicContact CB-CB 4.09Å; V92-A111 HydrophobicContact CG1-CB 3.69Å; N93-A111 WeakPolarHBondContact OD1-CB 3.19Å; L96-A111 HydrophobicContact CD1-CB 3.94Å; A111-I114 PolarHBondContact O-N 3.35Å; A111-V115 WeakPolarHBondContact O-CG2 3.44Å; A111-V115 PolarHBondContact O-N 3.19Å
112	E	89.2	Confident	84.9	Confident	95 Å²	95	52.4 Å²	52.4	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-42.9	175.6	-62.1	86	179.1	0	0	111.9	I89 G110 I114 V115 D116	I89-E112 HydrophobicContact CD1-CG 4.42Å; G110-E112 PolarHBondContact O-N 3.49Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.16Å; E112-V115 PolarHBondContact O-N 3.3Å; E112-D116 WeakPolarHBondContact O-CB 3.33Å; E112-D116 VanDerWaalsContact O-CG 3.3Å; E112-D116 PolarHBondContact O-N 3.18Å
113	E	88.9	Confident	85.3	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-39.7	-178.2	-64.4	-61.4	148.6	0	0	112	G110 G117 N118 M121	G110-E113 PolarHBondContact O-N 3.35Å; E113-G117 PolarHBondContact O-N 3.29Å; E113-N118 HydrophobicContact CB-CB 4.3Å; E113-N118 WeakPolarHBondContact O-CB 3.33Å; E113-N118 PolarHBondContact O-N 3.33Å; E113-N118 WeakPolarHBondContact OE2-CB 3.4Å; E113-N118 PolarHBondContact OE2-ND2 3.28Å; E113-M121 HydrophobicContact CB-CB 3.96Å; E113-M121 HydrophobicContact CB-CG 4.1Å; E113-M121 HydrophobicContact CG-CE 4.47Å; E113-M121 HydrophobicContact CG-CG 4.28Å
114	I	90.3	Very high	85.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-73.1	-41.9	178.8	-51.5	-57.9	0	0	0	111	V92 I109 A111 E112 D116 G117 L125	V92-I114 HydrophobicContact CG1-CB 3.99Å; V92-I114 HydrophobicContact CG1-CG1 4.2Å; V92-I114 HydrophobicContact CG1-CG2 4.27Å; V92-I114 HydrophobicContact CG2-CG2 4.22Å; I109-I114 HydrophobicContact CG2-CD1 4.17Å; I109-I114 HydrophobicContact CG2-CG1 4.48Å; A111-I114 PolarHBondContact O-N 3.35Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.16Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.42Å; I114-G117 PolarHBondContact O-N 3.41Å; I114-L125 HydrophobicContact CD1-CB 4.23Å; I114-L125 HydrophobicContact CD1-CD2 3.76Å; I114-L125 HydrophobicContact CG1-CD2 3.95Å
115	V	90.5	Very high	86.2	Confident	2 Å²	2	48 Å²	48	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-31.8	179.3	174.7	0	0	0	0	111.7	R59 R85 K88 I89 V92 A111 E112 G117	R59-V115 PolarHBondContact NE-O 2.65Å; R59-V115 PolarHBondContact NH2-O 3.27Å; R85-V115 HydrophobicContact CG-CG1 3.92Å; K88-V115 HydrophobicContact CB-CG1 3.84Å; K88-V115 HydrophobicContact CB-CG2 3.96Å; K88-V115 HydrophobicContact CD-CG1 4.17Å; I89-V115 HydrophobicContact CB-CG2 4.44Å; I89-V115 HydrophobicContact CG1-CB 4.08Å; I89-V115 HydrophobicContact CG1-CG1 4.13Å; I89-V115 HydrophobicContact CG1-CG2 3.75Å; V92-V115 HydrophobicContact CB-CG2 4.3Å; V92-V115 HydrophobicContact CG2-CG2 3.74Å; A111-V115 WeakPolarHBondContact O-CG2 3.44Å; A111-V115 PolarHBondContact O-N 3.19Å; E112-V115 PolarHBondContact O-N 3.3Å; V115-G117 VanDerWaalsContact C-N 3.31Å
116	D	88.9	Confident	86.9	Confident	81 Å²	81	39.2 Å²	39.2	43%	0.433	23%	0.225	S	C	.	.	H	α-helix	trans	-82.3	-12	179.1	-66.4	-18.4	0	0	0	112.5	R59 R85 E112 I114	R59-D116 PolarHBondContact NH2-O 3.41Å; R85-D116 IonicContact CZ-OD1 2.88Å; R85-D116 IonicContact CZ-OD2 3.6Å; R85-D116 IonicContact NE-OD1 3.14Å; R85-D116 PolarHBondContact NE-OD1 2.81Å; R85-D116 IonicContact NE-OD2 3.6Å; R85-D116 VanDerWaalsContact NH2-CG 3.25Å; R85-D116 IonicContact NH2-OD1 2.59Å; R85-D116 PolarHBondContact NH2-OD1 3.48Å; R85-D116 IonicContact NH2-OD2 2.81Å; R85-D116 PolarHBondContact NH2-OD2 2.92Å; E112-D116 WeakPolarHBondContact O-CB 3.33Å; E112-D116 VanDerWaalsContact O-CG 3.3Å; E112-D116 PolarHBondContact O-N 3.18Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.42Å
117	G	85.7	Confident	87.4	Confident	17 Å²	17	39.6 Å²	39.6	18%	0.175	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	31.9	171.9	0	0	0	0	0	113.5	E113 I114 V115 V119	E113-G117 PolarHBondContact O-N 3.29Å; I114-G117 PolarHBondContact O-N 3.41Å; V115-G117 VanDerWaalsContact C-N 3.31Å; G117-V119 PolarHBondContact O-N 2.81Å; G117-V119 VanDerWaalsContact O-N 3.12Å
118	N	88.4	Confident	88.1	Confident	58 Å²	58	36 Å²	36	31%	0.31	21%	0.205	S	C	.	.			trans	-69	108.3	175.4	-172.9	-25.9	0	0	0	110	E113 K120 M121 T122	E113-N118 HydrophobicContact CB-CB 4.3Å; E113-N118 WeakPolarHBondContact O-CB 3.33Å; E113-N118 PolarHBondContact O-N 3.33Å; E113-N118 WeakPolarHBondContact OE2-CB 3.4Å; E113-N118 PolarHBondContact OE2-ND2 3.28Å; N118-K120 PolarHBondContact O-N 2.61Å; N118-K120 PolarHBondContact OD1-N 3.37Å; N118-M121 HydrophobicContact CB-CB 4.14Å; N118-M121 HydrophobicContact CB-CG 4.08Å; N118-M121 VanDerWaalsContact CG-CG 3.45Å; N118-M121 VanDerWaalsContact ND2-CG 3.34Å; N118-M121 WeakPolarHBondContact ND2-CG 3.38Å; N118-M121 PolarHBondContact O-N 2.75Å; N118-M121 PolarHBondContact OD1-N 3.44Å; N118-T122 WeakPolarHBondContact O-CB 3.35Å; N118-T122 PolarHBondContact O-N 2.6Å; N118-T122 PolarHBondContact O-OG1 3.34Å
119	V	87.3	Confident	88.7	Confident	41 Å²	41	31.4 Å²	31.4	25%	0.248	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-47.2	-173.4	-171.4	0	0	0	0	111.5	E55 G117 M121 T122 L123	E55-V119 HydrophobicContact CB-CG2 4.01Å; E55-V119 HydrophobicContact CG-CG2 4.34Å; E55-V119 WeakPolarHBondContact OE2-CG2 3.14Å; G117-V119 PolarHBondContact O-N 2.81Å; G117-V119 VanDerWaalsContact O-N 3.12Å; V119-M121 PolarHBondContact O-N 3.42Å; V119-T122 PolarHBondContact O-N 2.75Å; V119-L123 HydrophobicContact CG1-CD1 4.07Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 3.34Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.43Å; V119-L123 PolarHBondContact O-N 3.11Å
120	K	86.2	Confident	89.1	Confident	107 Å²	107	30.3 Å²	30.3	47%	0.465	17%	0.167	S	C	.	.	H	α-helix	trans	-62.5	-44.3	-178.4	-72.6	-173.3	171.7	-172.6	0	111.7	E29 N118 L123 G124	E29-K120 WeakPolarHBondContact OE1-CE 3.14Å; E29-K120 IonicContact OE1-NZ 2.76Å; N118-K120 PolarHBondContact O-N 2.61Å; N118-K120 PolarHBondContact OD1-N 3.37Å; K120-L123 PolarHBondContact O-N 3.27Å; K120-G124 PolarHBondContact O-N 3.45Å
121	M	88.2	Confident	89.3	Confident	43 Å²	43	32.2 Å²	32.2	21%	0.212	17%	0.171	C	C	.	.	H	α-helix	trans	-69.8	-35.7	179.7	-56	-55	-93	0	0	111.7	S108 I109 E113 N118 V119 G124 L125	S108-M121 WeakPolarHBondContact O-CE 3.32Å; I109-M121 HydrophobicContact CG1-CE 4.22Å; E113-M121 HydrophobicContact CB-CB 3.96Å; E113-M121 HydrophobicContact CB-CG 4.1Å; E113-M121 HydrophobicContact CG-CE 4.47Å; E113-M121 HydrophobicContact CG-CG 4.28Å; N118-M121 HydrophobicContact CB-CB 4.14Å; N118-M121 HydrophobicContact CB-CG 4.08Å; N118-M121 VanDerWaalsContact CG-CG 3.45Å; N118-M121 VanDerWaalsContact ND2-CG 3.34Å; N118-M121 WeakPolarHBondContact ND2-CG 3.38Å; N118-M121 PolarHBondContact O-N 2.75Å; N118-M121 PolarHBondContact OD1-N 3.44Å; V119-M121 PolarHBondContact O-N 3.42Å; M121-G124 PolarHBondContact O-N 2.92Å; M121-L125 WeakPolarHBondContact O-CB 3.44Å; M121-L125 PolarHBondContact O-N 3.45Å
122	T	90.1	Very high	89.3	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-45.1	175.1	-53.6	0	0	0	0	111.3	F58 N118 V119 G124 L125 I126	F58-T122 HydrophobicContact CD2-CG2 4.28Å; N118-T122 WeakPolarHBondContact O-CB 3.35Å; N118-T122 PolarHBondContact O-N 2.6Å; N118-T122 PolarHBondContact O-OG1 3.34Å; V119-T122 PolarHBondContact O-N 2.75Å; T122-G124 VanDerWaalsContact C-N 3.34Å; T122-L125 PolarHBondContact O-N 2.92Å; T122-I126 WeakPolarHBondContact O-CG1 3.34Å; T122-I126 PolarHBondContact O-N 3.29Å
123	L	90	Very high	89.2	Confident	3 Å²	3	33 Å²	33	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-40	174.3	-68.2	176.4	0	0	0	111.6	Q32 K33 F36 I54 V119 K120 I126 W127	Q32-L123 HydrophobicContact CB-CD1 4.32Å; Q32-L123 HydrophobicContact CB-CD2 4.42Å; K33-L123 HydrophobicContact CB-CD2 4.49Å; F36-L123 HydrophobicContact CD2-CB 4.48Å; F36-L123 HydrophobicContact CD2-CD2 3.71Å; F36-L123 HydrophobicContact CE2-CB 4.44Å; F36-L123 HydrophobicContact CE2-CD2 4.37Å; F36-L123 WeakPolarHBondContact CE2-O 3.45Å; I54-L123 HydrophobicContact CD1-CD2 4.33Å; I54-L123 HydrophobicContact CG2-CD2 4.29Å; V119-L123 HydrophobicContact CG1-CD1 4.07Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 3.34Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.43Å; V119-L123 PolarHBondContact O-N 3.11Å; K120-L123 PolarHBondContact O-N 3.27Å; L123-I126 PolarHBondContact O-N 3.46Å; L123-W127 WeakPolarHBondContact O-CB 3.27Å; L123-W127 PolarHBondContact O-N 3.14Å
124	G	88.9	Confident	89.1	Confident	21 Å²	21	29.9 Å²	29.9	22%	0.216	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-45.2	173.9	0	0	0	0	0	112.5	K120 M121 T122 W127 S128	K120-G124 PolarHBondContact O-N 3.45Å; M121-G124 PolarHBondContact O-N 2.92Å; T122-G124 VanDerWaalsContact C-N 3.34Å; G124-W127 PolarHBondContact O-N 3.44Å; G124-S128 PolarHBondContact O-N 3.41Å; G124-S128 PolarHBondContact O-OG 3.2Å
125	L	91.1	Very high	88.9	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-49	176.8	179.8	61.6	0	0	0	111.9	L64 L96 I99 L106 I109 I114 M121 T122 W127 S128 I129	L64-L125 HydrophobicContact CD2-CD2 3.9Å; L96-L125 HydrophobicContact CD2-CD1 3.66Å; L96-L125 HydrophobicContact CD2-CD2 3.89Å; L96-L125 HydrophobicContact CD2-CG 4.45Å; I99-L125 HydrophobicContact CD1-CD1 3.82Å; L106-L125 HydrophobicContact CD2-CD1 3.9Å; I109-L125 HydrophobicContact CD1-CB 4.25Å; I109-L125 HydrophobicContact CG2-CB 4.27Å; I109-L125 HydrophobicContact CG2-CD1 4.4Å; I114-L125 HydrophobicContact CD1-CB 4.23Å; I114-L125 HydrophobicContact CD1-CD2 3.76Å; I114-L125 HydrophobicContact CG1-CD2 3.95Å; M121-L125 WeakPolarHBondContact O-CB 3.44Å; M121-L125 PolarHBondContact O-N 3.45Å; T122-L125 PolarHBondContact O-N 2.92Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.27Å; L125-S128 PolarHBondContact O-N 2.92Å; L125-I129 HydrophobicContact CD1-CD1 4.43Å; L125-I129 HydrophobicContact CG-CD1 4.17Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 3.38Å
126	I	92.2	Very high	88.5	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-37.3	179.8	-62.8	-65.1	0	0	0	110.9	F36 I54 F58 L64 L67 T122 L123 I129 I130	F36-I126 HydrophobicContact CB-CG2 3.92Å; F36-I126 HydrophobicContact CD2-CB 4.23Å; F36-I126 HydrophobicContact CD2-CG2 3.97Å; F36-I126 HydrophobicContact CG-CG2 4.04Å; I54-I126 HydrophobicContact CD1-CG1 4.14Å; F58-I126 HydrophobicContact CD2-CD1 4.07Å; F58-I126 HydrophobicContact CD2-CG1 4.46Å; F58-I126 HydrophobicContact CE2-CD1 3.49Å; F58-I126 VanDerWaalsContact CE2-CD1 3.49Å; F58-I126 HydrophobicContact CE2-CG1 4.07Å; F58-I126 HydrophobicContact CZ-CD1 3.98Å; L64-I126 HydrophobicContact CD1-CD1 4.18Å; L67-I126 HydrophobicContact CD2-CD1 4.32Å; T122-I126 WeakPolarHBondContact O-CG1 3.34Å; T122-I126 PolarHBondContact O-N 3.29Å; L123-I126 PolarHBondContact O-N 3.46Å; I126-I129 HydrophobicContact CD1-CD1 4.22Å; I126-I129 WeakPolarHBondContact O-CB 3.26Å; I126-I129 PolarHBondContact O-N 2.85Å; I126-I130 HydrophobicContact CG2-CD1 3.85Å; I126-I130 HydrophobicContact CG2-CG1 4.35Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.33Å; I126-I130 PolarHBondContact O-N 3.34Å
127	W	91.7	Very high	88.1	Confident	34 Å²	34	35.6 Å²	35.6	13%	0.129	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-46.2	172.3	173	-108.6	0	0	0	112.3	F36 L123 G124 L125 I129 I130 L131 I135 K235 I238	F36-W127 HydrophobicContact CE1-CE3 4.23Å; F36-W127 HydrophobicContact CE2-CB 3.99Å; F36-W127 HydrophobicContact CZ-CB 4.06Å; F36-W127 HydrophobicContact CZ-CD2 4.49Å; F36-W127 AromaticContact CZ-CE3 3.83Å; F36-W127 HydrophobicContact CZ-CE3 3.83Å; L123-W127 WeakPolarHBondContact O-CB 3.27Å; L123-W127 PolarHBondContact O-N 3.14Å; G124-W127 PolarHBondContact O-N 3.44Å; L125-W127 VanDerWaalsContact C-N 3.29Å; L125-W127 PolarHBondContact O-N 3.27Å; W127-I129 PolarHBondContact O-N 2.93Å; W127-I130 HydrophobicContact CZ3-CG2 4.48Å; W127-I130 PolarHBondContact O-N 2.73Å; W127-L131 HydrophobicContact CZ2-CD1 4.29Å; W127-L131 WeakPolarHBondContact O-CB 3.5Å; W127-L131 PolarHBondContact O-N 2.87Å; W127-I135 HydrophobicContact CH2-CD1 4.14Å; W127-I135 HydrophobicContact CZ3-CD1 4.31Å; W127-K235 HydrophobicContact CB-CD 4.49Å; W127-K235 HydrophobicContact CD2-CB 4.18Å; W127-K235 HydrophobicContact CD2-CD 3.56Å; W127-K235 HydrophobicContact CD2-CG 3.83Å; W127-K235 HydrophobicContact CE3-CB 3.71Å; W127-K235 HydrophobicContact CE3-CD 4Å; W127-K235 HydrophobicContact CE3-CG 3.88Å; W127-K235 HydrophobicContact CG-CD 3.76Å; W127-K235 HydrophobicContact CH2-CB 4.03Å; W127-K235 HydrophobicContact CH2-CG 3.87Å; W127-K235 HydrophobicContact CZ2-CB 4.47Å; W127-K235 HydrophobicContact CZ2-CD 4.29Å; W127-K235 HydrophobicContact CZ2-CG 3.83Å; W127-K235 HydrophobicContact CZ3-CB 3.63Å; W127-K235 HydrophobicContact CZ3-CG 3.9Å; W127-I238 HydrophobicContact CH2-CB 4.25Å; W127-I238 HydrophobicContact CH2-CD1 4.22Å; W127-I238 HydrophobicContact CH2-CG2 4.17Å
128	S	89.3	Confident	87.8	Confident	29 Å²	29	35 Å²	35	20%	0.203	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-36.7	177.3	-63.3	0	0	0	0	112.1	G124 L125 R132	G124-S128 PolarHBondContact O-N 3.41Å; G124-S128 PolarHBondContact O-OG 3.2Å; L125-S128 PolarHBondContact O-N 2.92Å; S128-R132 WeakPolarHBondContact O-CB 3.4Å; S128-R132 PolarHBondContact O-N 3.38Å
129	I	90.4	Very high	87.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.8	-49.3	173.9	-67	165.5	0	0	0	110.8	W39 L64 L68 I71 I99 L125 I126 W127 L131 R132 F133	W39-I129 HydrophobicContact CH2-CG2 4.23Å; W39-I129 HydrophobicContact CZ3-CG2 4.48Å; L64-I129 HydrophobicContact CD1-CD1 3.94Å; L68-I129 HydrophobicContact CD2-CD1 4.06Å; L68-I129 HydrophobicContact CD2-CG1 4.25Å; L68-I129 HydrophobicContact CD2-CG2 4.3Å; I71-I129 HydrophobicContact CD1-CG2 3.34Å; I99-I129 HydrophobicContact CD1-CD1 3.66Å; I99-I129 HydrophobicContact CD1-CG1 3.77Å; I99-I129 HydrophobicContact CG1-CG1 4.25Å; L125-I129 HydrophobicContact CD1-CD1 4.43Å; L125-I129 HydrophobicContact CG-CD1 4.17Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 3.38Å; I126-I129 HydrophobicContact CD1-CD1 4.22Å; I126-I129 WeakPolarHBondContact O-CB 3.26Å; I126-I129 PolarHBondContact O-N 2.85Å; W127-I129 PolarHBondContact O-N 2.93Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.45Å; I129-R132 PolarHBondContact O-N 3.47Å; I129-F133 HydrophobicContact CG2-CD2 3.9Å; I129-F133 HydrophobicContact CG2-CE2 4.43Å; I129-F133 WeakPolarHBondContact O-CD2 3.47Å; I129-F133 PolarHBondContact O-N 3.38Å
130	I	91	Very high	86.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-46.2	177.9	-67.7	165	0	0	0	110.4	F36 W39 I126 W127 R132 A134 I135 T239	F36-I130 HydrophobicContact CD1-CD1 3.62Å; F36-I130 HydrophobicContact CE1-CD1 3.82Å; F36-I130 HydrophobicContact CG-CD1 4.08Å; F36-I130 HydrophobicContact CZ-CD1 4.42Å; W39-I130 HydrophobicContact CD2-CD1 3.94Å; W39-I130 HydrophobicContact CD2-CG1 3.69Å; W39-I130 HydrophobicContact CE3-CD1 3.85Å; W39-I130 HydrophobicContact CE3-CG1 3.57Å; W39-I130 HydrophobicContact CG-CD1 4.33Å; W39-I130 HydrophobicContact CG-CG1 4.48Å; W39-I130 HydrophobicContact CH2-CG1 3.71Å; W39-I130 HydrophobicContact CZ2-CG1 3.82Å; W39-I130 HydrophobicContact CZ3-CD1 4.31Å; W39-I130 HydrophobicContact CZ3-CG1 3.58Å; I126-I130 HydrophobicContact CG2-CD1 3.85Å; I126-I130 HydrophobicContact CG2-CG1 4.35Å; I126-I130 VanDerWaalsContact O-CG1 3.29Å; I126-I130 WeakPolarHBondContact O-CG1 3.33Å; I126-I130 PolarHBondContact O-N 3.34Å; W127-I130 HydrophobicContact CZ3-CG2 4.48Å; W127-I130 PolarHBondContact O-N 2.73Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 3.08Å; I130-A134 HydrophobicContact CG2-CB 4.3Å; I130-A134 WeakPolarHBondContact O-CA 3.44Å; I130-A134 VanDerWaalsContact O-CB 3.29Å; I130-A134 WeakPolarHBondContact O-CB 3.44Å; I130-A134 PolarHBondContact O-N 3.25Å; I130-I135 HydrophobicContact CG2-CD1 3.89Å; I130-I135 PolarHBondContact O-N 2.95Å; I130-T239 HydrophobicContact CD1-CG2 3.97Å; I130-T239 HydrophobicContact CG2-CG2 4.1Å
131	L	89	Confident	84.9	Confident	63 Å²	63	37.5 Å²	37.5	33%	0.33	20%	0.195	S	C	.	.	I	π-helix	trans	-57.6	-47	179.2	-176.5	63.3	0	0	0	110.7	W127 I129 I135 Q136	W127-L131 HydrophobicContact CZ2-CD1 4.29Å; W127-L131 WeakPolarHBondContact O-CB 3.5Å; W127-L131 PolarHBondContact O-N 2.87Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.45Å; L131-I135 HydrophobicContact CD1-CB 4.24Å; L131-I135 HydrophobicContact CD1-CD1 4.37Å; L131-I135 HydrophobicContact CD1-CG2 4.21Å; L131-I135 PolarHBondContact O-N 3.45Å; L131-Q136 WeakPolarHBondContact O-CB 3.41Å; L131-Q136 PolarHBondContact O-N 3.26Å
132	R	87.8	Confident	83.9	Confident	65 Å²	65	44.5 Å²	44.5	25%	0.245	23%	0.227	C	C	.	.	I	π-helix	trans	-67.9	-56.8	179.9	178.4	57.6	-178.2	-154.9	-0.1	112.9	K102 V104 S128 I129 I130	K102-R132 PolarHBondContact O-NE 2.93Å; K102-R132 PolarHBondContact O-NH1 3.31Å; K102-R132 PolarHBondContact O-NH2 2.91Å; V104-R132 HydrophobicContact CG2-CB 3.56Å; V104-R132 HydrophobicContact CG2-CG 3.61Å; S128-R132 WeakPolarHBondContact O-CB 3.4Å; S128-R132 PolarHBondContact O-N 3.38Å; I129-R132 PolarHBondContact O-N 3.47Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 3.08Å
133	F	87.5	Confident	83	Confident	49 Å²	49	47.7 Å²	47.7	22%	0.215	24%	0.244	C	C	.	.	I	π-helix	trans	-88.2	-18.5	-166.3	-70.6	-84.3	0	0	0	114.1	L68 I71 F98 K102 I129	L68-F133 HydrophobicContact CD2-CE2 4.34Å; I71-F133 HydrophobicContact CD1-CB 4.12Å; I71-F133 HydrophobicContact CD1-CD1 4.33Å; I71-F133 HydrophobicContact CD1-CD2 3.64Å; I71-F133 HydrophobicContact CD1-CE2 4.07Å; I71-F133 HydrophobicContact CD1-CG 3.77Å; I71-F133 HydrophobicContact CG1-CB 4.48Å; I71-F133 HydrophobicContact CG1-CD1 4.18Å; I71-F133 HydrophobicContact CG1-CD2 4.36Å; I71-F133 HydrophobicContact CG1-CG 4.1Å; F98-F133 HydrophobicContact CE1-CZ 4.3Å; K102-F133 HydrophobicContact CB-CZ 4.11Å; K102-F133 HydrophobicContact CG-CZ 4.01Å; I129-F133 HydrophobicContact CG2-CD2 3.9Å; I129-F133 HydrophobicContact CG2-CE2 4.43Å; I129-F133 WeakPolarHBondContact O-CD2 3.47Å; I129-F133 PolarHBondContact O-N 3.38Å
134	A	86	Confident	82.3	Confident	9 Å²	9	50.7 Å²	50.7	7%	0.074	26%	0.264	C	S	.	.	I	π-helix	trans	-115.1	-20.8	-178.7	0	0	0	0	0	113.9	W39 I130 H246	W39-A134 HydrophobicContact CZ2-CB 4.41Å; I130-A134 HydrophobicContact CG2-CB 4.3Å; I130-A134 WeakPolarHBondContact O-CA 3.44Å; I130-A134 VanDerWaalsContact O-CB 3.29Å; I130-A134 WeakPolarHBondContact O-CB 3.44Å; I130-A134 PolarHBondContact O-N 3.25Å; A134-H246 PolarHBondContact O-NE2 2.64Å
135	I	86.4	Confident	81.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-120.8	-44	-170.8	-59.3	158.8	0	0	0	112	W127 I130 L131 D137 I138 A145 I238	W127-I135 HydrophobicContact CH2-CD1 4.14Å; W127-I135 HydrophobicContact CZ3-CD1 4.31Å; I130-I135 HydrophobicContact CG2-CD1 3.89Å; I130-I135 PolarHBondContact O-N 2.95Å; L131-I135 HydrophobicContact CD1-CB 4.24Å; L131-I135 HydrophobicContact CD1-CD1 4.37Å; L131-I135 HydrophobicContact CD1-CG2 4.21Å; L131-I135 PolarHBondContact O-N 3.45Å; I135-D137 VanDerWaalsContact C-N 3.25Å; I135-D137 PolarHBondContact O-N 2.92Å; I135-D137 VanDerWaalsContact O-N 3.17Å; I135-I138 VanDerWaalsContact O-CB 3.27Å; I135-I138 WeakPolarHBondContact O-CB 3.41Å; I135-I138 VanDerWaalsContact O-CG1 3.27Å; I135-I138 WeakPolarHBondContact O-CG1 3.48Å; I135-I138 PolarHBondContact O-N 2.86Å; I135-A145 HydrophobicContact CG2-CB 4.33Å; I135-A145 WeakPolarHBondContact O-CA 3.45Å; I135-I238 HydrophobicContact CD1-CG2 3.4Å; I135-I238 VanDerWaalsContact CD1-CG2 3.4Å; I135-I238 HydrophobicContact CG1-CG2 4.17Å
136	Q	83.5	Confident	81.7	Confident	84 Å²	84	54.6 Å²	54.6	39%	0.393	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.2	-168.7	-170.9	167.8	9.9	0	0	113.6	L131 I138	L131-Q136 WeakPolarHBondContact O-CB 3.41Å; L131-Q136 PolarHBondContact O-N 3.26Å; Q136-I138 PolarHBondContact O-N 3.49Å
137	D	79.2	Confident	81.3	Confident	121 Å²	121	59 Å²	59	65%	0.647	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.7	-179.3	-61.2	-25.6	0	0	0	113.7	I135 T139	I135-D137 VanDerWaalsContact C-N 3.25Å; I135-D137 PolarHBondContact O-N 2.92Å; I135-D137 VanDerWaalsContact O-N 3.17Å; D137-T139 PolarHBondContact O-N 3.41Å
138	I	78.7	Confident	80.9	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.294	C	S	.	.			trans	-73.5	114.6	175.2	-58.3	178.5	0	0	0	108.7	I135 Q136 I140 S144 A145 L149 Y245	I135-I138 VanDerWaalsContact O-CB 3.27Å; I135-I138 WeakPolarHBondContact O-CB 3.41Å; I135-I138 VanDerWaalsContact O-CG1 3.27Å; I135-I138 WeakPolarHBondContact O-CG1 3.48Å; I135-I138 PolarHBondContact O-N 2.86Å; Q136-I138 PolarHBondContact O-N 3.49Å; I138-I140 HydrophobicContact CG2-CD1 4.29Å; I138-S144 CarbonylContact O-C 3.53Å; I138-S144 WeakPolarHBondContact O-CA 3.37Å; I138-A145 PolarHBondContact O-N 3.39Å; I138-L149 HydrophobicContact CD1-CB 4.34Å; I138-L149 HydrophobicContact CD1-CD1 4.08Å; I138-L149 HydrophobicContact CD1-CD2 4.43Å; I138-L149 HydrophobicContact CG2-CB 4.42Å; I138-Y245 HydrophobicContact CB-CE1 4.31Å; I138-Y245 HydrophobicContact CD1-CD1 3.58Å; I138-Y245 HydrophobicContact CD1-CE1 3.85Å; I138-Y245 HydrophobicContact CD1-CG 4.15Å; I138-Y245 HydrophobicContact CG1-CD1 3.92Å; I138-Y245 HydrophobicContact CG1-CE1 3.63Å; I138-Y245 HydrophobicContact CG2-CE1 3.92Å; I138-Y245 HydrophobicContact CG2-CE2 4.12Å
139	T	75.4	Confident	80.9	Confident	97 Å²	97	56 Å²	56	60%	0.595	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	125.2	178.1	48.5	0	0	0	0	110.5	D137 L143	D137-T139 PolarHBondContact O-N 3.41Å; T139-L143 WeakPolarHBondContact CA-O 3.37Å
140	I	70.9	Confident	81	Confident	34 Å²	34	57.8 Å²	57.8	17%	0.174	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	118.5	-178.3	-64.2	174.3	0	0	0	108.6	I138 E142 L143 G148 L151 W152 Y245	I138-I140 HydrophobicContact CG2-CD1 4.29Å; I140-E142 VanDerWaalsContact C-N 3.33Å; I140-E142 PolarHBondContact O-N 2.86Å; I140-L143 PolarHBondContact N-O 3.42Å; I140-L143 PolarHBondContact O-N 3.2Å; I140-G148 WeakPolarHBondContact CD1-O 3.43Å; I140-L151 HydrophobicContact CG2-CD2 4.05Å; I140-L151 HydrophobicContact CG2-CG 4.41Å; I140-W152 HydrophobicContact CD1-CB 3.4Å; I140-W152 VanDerWaalsContact CD1-CB 3.4Å; I140-W152 HydrophobicContact CD1-CG 3.86Å; I140-Y245 HydrophobicContact CD1-CE2 3.94Å
141	E	56.6	Low	80.7	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	53.5	177.2	-62.6	-179	-178.6	0	0	112.1	L143 L151 R155	E141-L143 PolarHBondContact O-N 2.64Å; E141-L143 VanDerWaalsContact O-N 3.14Å; E141-L151 HydrophobicContact CB-CD2 4.15Å; E141-R155 IonicContact OE1-NH1 3.63Å; E141-R155 IonicContact OE2-CZ 2.65Å; E141-R155 IonicContact OE2-NH2 2.81Å; E141-R155 PolarHBondContact OE2-NH2 2.85Å
142	E	67	Low	80.7	Confident	191 Å²	191	56.6 Å²	56.6	89%	0.893	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-13.4	179.7	-49.2	-177.4	164.8	0	0	116.6	I140	I140-E142 VanDerWaalsContact C-N 3.33Å; I140-E142 PolarHBondContact O-N 2.86Å
143	L	69.7	Low	80.9	Confident	68 Å²	68	53.5 Å²	53.5	36%	0.356	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.7	174.1	-60.3	179.4	0	0	0	111.1	T139 I140 E141 E147 L151	T139-L143 WeakPolarHBondContact CA-O 3.37Å; I140-L143 PolarHBondContact N-O 3.42Å; I140-L143 PolarHBondContact O-N 3.2Å; E141-L143 PolarHBondContact O-N 2.64Å; E141-L143 VanDerWaalsContact O-N 3.14Å; L143-E147 HydrophobicContact CB-CB 4.06Å; L143-E147 HydrophobicContact CD1-CB 4.34Å; L143-L151 HydrophobicContact CD1-CB 4.38Å; L143-L151 HydrophobicContact CD1-CD2 3.98Å
144	S	75.8	Confident	81	Confident	65 Å²	65	54.6 Å²	54.6	46%	0.455	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	160.4	-176.2	66.1	0	0	0	0	112.7	I138 K146 E147 G148	I138-S144 CarbonylContact O-C 3.53Å; I138-S144 WeakPolarHBondContact O-CA 3.37Å; S144-K146 PolarHBondContact O-N 3.39Å; S144-E147 PolarHBondContact O-N 3.15Å; S144-G148 PolarHBondContact O-N 3.14Å
145	A	81.9	Confident	81	Confident	20 Å²	20	61.3 Å²	61.3	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	55.9	-118.4	173.8	0	0	0	0	0	113.8	I135 I138 L149	I135-A145 HydrophobicContact CG2-CB 4.33Å; I135-A145 WeakPolarHBondContact O-CA 3.45Å; I138-A145 PolarHBondContact O-N 3.39Å; A145-L149 WeakPolarHBondContact O-CB 3.29Å; A145-L149 PolarHBondContact O-N 3.23Å; A145-L149 VanDerWaalsContact O-N 3.09Å
146	K	86.4	Confident	81.1	Confident	86 Å²	86	63.9 Å²	63.9	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-41.4	-177.8	-179.9	-177.8	175.5	177.8	0	112.1	S144 L149 L150 F168 E234 I238	S144-K146 PolarHBondContact O-N 3.39Å; K146-L149 PolarHBondContact O-N 2.81Å; K146-L150 WeakPolarHBondContact O-CB 2.84Å; K146-L150 PolarHBondContact O-N 3.4Å; K146-F168 HydrophobicContact CG-CD2 4.26Å; K146-F168 HydrophobicContact CG-CE2 3.95Å; K146-E234 WeakPolarHBondContact CE-OE1 3.12Å; K146-E234 IonicContact NZ-OE1 2.84Å; K146-E234 PolarHBondContact NZ-OE1 3.18Å; K146-E234 IonicContact NZ-OE2 3.58Å; K146-E234 PolarHBondContact NZ-OE2 2.83Å; K146-I238 HydrophobicContact CD-CD1 4.19Å; K146-I238 HydrophobicContact CG-CD1 4.26Å
147	E	84.2	Confident	81.3	Confident	94 Å²	94	60 Å²	60	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-72	-41.6	-176.5	-65	178.5	164.2	0	0	111	L143 S144 L150 L151	L143-E147 HydrophobicContact CB-CB 4.06Å; L143-E147 HydrophobicContact CD1-CB 4.34Å; S144-E147 PolarHBondContact O-N 3.15Å; E147-L150 PolarHBondContact O-N 3.11Å; E147-L151 WeakPolarHBondContact O-CB 3.45Å; E147-L151 PolarHBondContact O-N 3.38Å
148	G	83.3	Confident	81.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-48.4	171.8	0	0	0	0	0	111.6	I140 S144 L150 L151 W152	I140-G148 WeakPolarHBondContact CD1-O 3.43Å; S144-G148 PolarHBondContact O-N 3.14Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.1Å; G148-L151 PolarHBondContact O-N 3.07Å; G148-W152 PolarHBondContact O-N 2.89Å
149	L	89.3	Confident	82	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-36.8	177.2	-175.4	61.7	0	0	0	112.6	I138 A145 K146 W152 C153 F168 I238 V241 Y245	I138-L149 HydrophobicContact CD1-CB 4.34Å; I138-L149 HydrophobicContact CD1-CD1 4.08Å; I138-L149 HydrophobicContact CD1-CD2 4.43Å; I138-L149 HydrophobicContact CG2-CB 4.42Å; A145-L149 WeakPolarHBondContact O-CB 3.29Å; A145-L149 PolarHBondContact O-N 3.23Å; A145-L149 VanDerWaalsContact O-N 3.09Å; K146-L149 PolarHBondContact O-N 2.81Å; L149-W152 HydrophobicContact CD1-CE3 4.18Å; L149-W152 WeakPolarHBondContact O-CB 3.46Å; L149-W152 PolarHBondContact O-N 2.88Å; L149-C153 PolarHBondContact O-N 3.37Å; L149-C153 VanDerWaalsContact O-N 3.12Å; L149-C153 PolarHBondContact O-SG 3.37Å; L149-F168 HydrophobicContact CB-CZ 4.13Å; L149-F168 HydrophobicContact CD2-CE1 4.27Å; L149-F168 HydrophobicContact CD2-CZ 4.01Å; L149-F168 HydrophobicContact CG-CE1 4.24Å; L149-F168 HydrophobicContact CG-CZ 3.81Å; L149-I238 HydrophobicContact CD2-CG2 4.17Å; L149-V241 HydrophobicContact CD1-CG1 4.29Å; L149-V241 HydrophobicContact CD2-CG1 4.43Å; L149-V241 HydrophobicContact CG-CG1 4.41Å; L149-Y245 HydrophobicContact CD1-CD2 4.04Å; L149-Y245 HydrophobicContact CD1-CG 3.91Å
150	L	91	Very high	82.6	Confident	36 Å²	36	58.1 Å²	58.1	19%	0.188	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-46.8	177	-177.3	61.1	0	0	0	111.1	K146 E147 G148 W152 C153 Q154 V165 F168	K146-L150 WeakPolarHBondContact O-CB 2.84Å; K146-L150 PolarHBondContact O-N 3.4Å; E147-L150 PolarHBondContact O-N 3.11Å; G148-L150 VanDerWaalsContact C-N 3.32Å; G148-L150 PolarHBondContact O-N 3.1Å; L150-W152 VanDerWaalsContact C-N 3.27Å; L150-W152 PolarHBondContact O-N 3.42Å; L150-C153 WeakPolarHBondContact O-CB 3.37Å; L150-C153 PolarHBondContact O-N 3.41Å; L150-C153 VanDerWaalsContact O-N 3.14Å; L150-Q154 WeakPolarHBondContact O-CG 3.26Å; L150-Q154 PolarHBondContact O-N 2.75Å; L150-V165 HydrophobicContact CD1-CG1 3.84Å; L150-F168 HydrophobicContact CB-CE2 3.79Å; L150-F168 HydrophobicContact CB-CZ 3.94Å; L150-F168 HydrophobicContact CD1-CE2 4.12Å; L150-F168 HydrophobicContact CD1-CZ 4.2Å; L150-F168 HydrophobicContact CG-CE2 4.47Å
151	L	86.4	Confident	83.1	Confident	24 Å²	24	68.1 Å²	68.1	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-40.3	176.7	-179.2	61.9	0	0	0	111.1	I140 E141 L143 E147 G148 C153 Q154 R155	I140-L151 HydrophobicContact CG2-CD2 4.05Å; I140-L151 HydrophobicContact CG2-CG 4.41Å; E141-L151 HydrophobicContact CB-CD2 4.15Å; L143-L151 HydrophobicContact CD1-CB 4.38Å; L143-L151 HydrophobicContact CD1-CD2 3.98Å; E147-L151 WeakPolarHBondContact O-CB 3.45Å; E147-L151 PolarHBondContact O-N 3.38Å; G148-L151 PolarHBondContact O-N 3.07Å; L151-C153 PolarHBondContact O-N 2.87Å; L151-Q154 PolarHBondContact O-N 2.95Å; L151-R155 HydrophobicContact CD1-CG 4.16Å; L151-R155 HydrophobicContact CG-CG 4.4Å; L151-R155 WeakPolarHBondContact O-CB 2.97Å; L151-R155 WeakPolarHBondContact O-CG 3.37Å; L151-R155 PolarHBondContact O-N 2.79Å
152	W	88.7	Confident	84.5	Confident	15 Å²	15	67.2 Å²	67.2	6%	0.057	33%	0.331	C	S	.	.	H	α-helix	trans	-56.5	-50.7	173.1	-175.7	79.3	0	0	0	112.3	I140 G148 L149 L150 Q154 R155 K156 L181 H185 Y245 F248	I140-W152 HydrophobicContact CD1-CB 3.4Å; I140-W152 VanDerWaalsContact CD1-CB 3.4Å; I140-W152 HydrophobicContact CD1-CG 3.86Å; G148-W152 PolarHBondContact O-N 2.89Å; L149-W152 HydrophobicContact CD1-CE3 4.18Å; L149-W152 WeakPolarHBondContact O-CB 3.46Å; L149-W152 PolarHBondContact O-N 2.88Å; L150-W152 VanDerWaalsContact C-N 3.27Å; L150-W152 PolarHBondContact O-N 3.42Å; W152-Q154 VanDerWaalsContact C-N 3.32Å; W152-Q154 PolarHBondContact O-N 3.33Å; W152-R155 PolarHBondContact O-N 3.03Å; W152-K156 HydrophobicContact CD2-CG 4.18Å; W152-K156 HydrophobicContact CG-CG 4.41Å; W152-K156 HydrophobicContact CZ2-CG 4.26Å; W152-K156 WeakPolarHBondContact O-CB 3.31Å; W152-K156 WeakPolarHBondContact O-CG 3.3Å; W152-K156 PolarHBondContact O-N 3.48Å; W152-L181 HydrophobicContact CE3-CD2 4.39Å; W152-L181 HydrophobicContact CH2-CD1 4.37Å; W152-L181 HydrophobicContact CH2-CD2 3.96Å; W152-L181 HydrophobicContact CZ3-CD1 3.86Å; W152-L181 HydrophobicContact CZ3-CD2 3.81Å; W152-H185 AromaticContact CZ2-CE1 3.6Å; W152-H185 AromaticContact CZ2-NE2 3.92Å; W152-Y245 AromaticContact CD1-CD2 3.9Å; W152-Y245 AromaticContact CD1-CE2 3.72Å; W152-Y245 AromaticContact CD2-CD2 3.61Å; W152-Y245 HydrophobicContact CD2-CD2 3.61Å; W152-Y245 HydrophobicContact CD2-CE2 4.21Å; W152-Y245 AromaticContact CE2-CD2 3.62Å; W152-Y245 HydrophobicContact CE3-CD2 4.04Å; W152-Y245 AromaticContact CG-CD2 3.82Å; W152-Y245 HydrophobicContact CG-CD2 3.82Å; W152-Y245 AromaticContact CG-CE2 3.96Å; W152-Y245 HydrophobicContact CG-CE2 3.96Å; W152-Y245 HydrophobicContact CZ2-CD2 4.1Å; W152-Y245 HydrophobicContact CZ3-CD2 4.47Å; W152-Y245 AromaticContact NE1-CD2 3.76Å; W152-Y245 AromaticContact NE1-CE2 3.82Å; W152-F248 AromaticContact CH2-CD2 3.96Å; W152-F248 HydrophobicContact CH2-CD2 3.96Å; W152-F248 HydrophobicContact CZ2-CB 4.34Å; W152-F248 HydrophobicContact CZ2-CD2 4.23Å
153	C	90.8	Very high	85.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-47.1	-179.9	-65.9	0	0	0	0	110.3	L149 L150 L151 R155 K156 T157 V165 W172 V241	L149-C153 PolarHBondContact O-N 3.37Å; L149-C153 VanDerWaalsContact O-N 3.12Å; L149-C153 PolarHBondContact O-SG 3.37Å; L150-C153 WeakPolarHBondContact O-CB 3.37Å; L150-C153 PolarHBondContact O-N 3.41Å; L150-C153 VanDerWaalsContact O-N 3.14Å; L151-C153 PolarHBondContact O-N 2.87Å; C153-R155 PolarHBondContact O-N 2.98Å; C153-K156 PolarHBondContact O-N 3.11Å; C153-T157 WeakPolarHBondContact O-CB 3.23Å; C153-T157 WeakPolarHBondContact O-CG2 3.49Å; C153-T157 PolarHBondContact O-N 2.92Å; C153-T157 PolarHBondContact O-OG1 3.22Å; C153-V165 HydrophobicContact CB-CG1 4.02Å; C153-W172 HydrophobicContact CB-CH2 4.37Å; C153-W172 HydrophobicContact CB-CZ2 4.13Å; C153-V241 VanDerWaalsContact SG-CG1 3.52Å
154	Q	90.7	Very high	86.5	Confident	71 Å²	71	60.8 Å²	60.8	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-47.6	177.5	-73.5	172.9	-6.6	0	0	111.9	L150 L151 W152 T157 A158 V165	L150-Q154 WeakPolarHBondContact O-CG 3.26Å; L150-Q154 PolarHBondContact O-N 2.75Å; L151-Q154 PolarHBondContact O-N 2.95Å; W152-Q154 VanDerWaalsContact C-N 3.32Å; W152-Q154 PolarHBondContact O-N 3.33Å; Q154-T157 PolarHBondContact O-N 3.4Å; Q154-T157 PolarHBondContact O-OG1 2.77Å; Q154-A158 WeakPolarHBondContact O-CA 3.18Å; Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.06Å; Q154-V165 HydrophobicContact CG-CB 4.25Å; Q154-V165 WeakPolarHBondContact CG-O 3.48Å; Q154-V165 PolarHBondContact NE2-O 3.37Å
155	R	86.2	Confident	87.2	Confident	151 Å²	151	57.8 Å²	57.8	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-66.3	-40.7	-179.2	-72.9	-69.4	176.2	119.1	9.1	112.7	E141 L151 W152 C153	E141-R155 IonicContact OE1-NH1 3.63Å; E141-R155 IonicContact OE2-CZ 2.65Å; E141-R155 IonicContact OE2-NH2 2.81Å; E141-R155 PolarHBondContact OE2-NH2 2.85Å; L151-R155 HydrophobicContact CD1-CG 4.16Å; L151-R155 HydrophobicContact CG-CG 4.4Å; L151-R155 WeakPolarHBondContact O-CB 2.97Å; L151-R155 WeakPolarHBondContact O-CG 3.37Å; L151-R155 PolarHBondContact O-N 2.79Å; W152-R155 PolarHBondContact O-N 3.03Å; C153-R155 PolarHBondContact O-N 2.98Å
156	K	87.1	Confident	87.6	Confident	53 Å²	53	62.9 Å²	62.9	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-71.9	-31.1	178.9	-65.5	-63.7	-176.8	177.3	0	112.1	W152 C153 L181 R184	W152-K156 HydrophobicContact CD2-CG 4.18Å; W152-K156 HydrophobicContact CG-CG 4.41Å; W152-K156 HydrophobicContact CZ2-CG 4.26Å; W152-K156 WeakPolarHBondContact O-CB 3.31Å; W152-K156 WeakPolarHBondContact O-CG 3.3Å; W152-K156 PolarHBondContact O-N 3.48Å; C153-K156 PolarHBondContact O-N 3.11Å; K156-L181 HydrophobicContact CB-CD2 3.63Å; K156-L181 HydrophobicContact CG-CD2 4.44Å; K156-R184 HydrophobicContact CB-CG 4.32Å; K156-R184 HydrophobicContact CD-CG 4.37Å; K156-R184 WeakPolarHBondContact O-CG 3.35Å
157	T	88.5	Confident	87.7	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-94	-11.2	-180	59.8	0	0	0	0	114.6	C153 Q154 P159 Y160 V163 V165 A180 L181	C153-T157 WeakPolarHBondContact O-CB 3.23Å; C153-T157 WeakPolarHBondContact O-CG2 3.49Å; C153-T157 PolarHBondContact O-N 2.92Å; C153-T157 PolarHBondContact O-OG1 3.22Å; Q154-T157 PolarHBondContact O-N 3.4Å; Q154-T157 PolarHBondContact O-OG1 2.77Å; T157-P159 VanDerWaalsContact C-N 3.28Å; T157-P159 VanDerWaalsContact O-N 3.07Å; T157-Y160 WeakPolarHBondContact O-CB 3.47Å; T157-Y160 WeakPolarHBondContact O-CD2 3.47Å; T157-Y160 PolarHBondContact O-N 3.2Å; T157-V163 HydrophobicContact CG2-CG1 4.06Å; T157-V165 HydrophobicContact CG2-CG2 4.44Å; T157-A180 HydrophobicContact CG2-CB 3.99Å; T157-L181 HydrophobicContact CG2-CD2 3.93Å; T157-L181 HydrophobicContact CG2-CG 3.93Å
158	A	87.2	Confident	88	Confident	74 Å²	74	55.8 Å²	55.8	61%	0.612	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-35	179.9	0	0	0	0	0	115.8	Q154 Y160	Q154-A158 WeakPolarHBondContact O-CA 3.18Å; Q154-A158 WeakPolarHBondContact O-CB 3.35Å; Q154-A158 PolarHBondContact O-N 3.06Å; A158-Y160 PolarHBondContact O-N 3.14Å
159	P	86.2	Confident	88.1	Confident	81 Å²	81	58.4 Å²	58.4	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.1	176.1	-22.7	35.6	0	0	0	114.9	T157	T157-P159 VanDerWaalsContact C-N 3.28Å; T157-P159 VanDerWaalsContact O-N 3.07Å
160	Y	87.5	Confident	88	Confident	28 Å²	28	61.2 Å²	61.2	11%	0.11	30%	0.301	C	S	.	.			trans	-93.9	103.1	-174.8	-60.5	-92.2	0	0	0	110.4	T157 A158 N162 V163 A180 H183 R184 Y192	T157-Y160 WeakPolarHBondContact O-CB 3.47Å; T157-Y160 WeakPolarHBondContact O-CD2 3.47Å; T157-Y160 PolarHBondContact O-N 3.2Å; A158-Y160 PolarHBondContact O-N 3.14Å; Y160-N162 PolarHBondContact O-N 3.2Å; Y160-V163 PolarHBondContact O-N 3.07Å; Y160-A180 HydrophobicContact CD1-CB 4.13Å; Y160-A180 HydrophobicContact CD2-CB 3.75Å; Y160-A180 HydrophobicContact CE1-CB 4.36Å; Y160-A180 HydrophobicContact CE2-CB 3.98Å; Y160-A180 HydrophobicContact CG-CB 3.8Å; Y160-A180 PolarHBondContact OH-O 3.12Å; Y160-H183 HydrophobicContact CE1-CB 4.49Å; Y160-H183 AromaticContact CE1-ND1 3.45Å; Y160-H183 WeakPolarHBondContact CE1-ND1 3.29Å; Y160-H183 AromaticContact CZ-ND1 3.54Å; Y160-H183 PolarHBondContact OH-ND1 3.38Å; Y160-R184 HydrophobicContact CE2-CB 4.12Å; Y160-R184 WeakPolarHBondContact OH-CA 3.47Å; Y160-R184 PolarHBondContact OH-N 3.31Å; Y160-R184 VanDerWaalsContact OH-N 3.08Å; Y160-Y192 AromaticContact CD1-CD1 3.78Å; Y160-Y192 HydrophobicContact CD1-CD1 3.78Å; Y160-Y192 HydrophobicContact CD1-CD2 4.1Å; Y160-Y192 AromaticContact CD1-CE1 3.56Å; Y160-Y192 HydrophobicContact CD1-CE1 3.56Å; Y160-Y192 AromaticContact CD1-CE2 3.89Å; Y160-Y192 HydrophobicContact CD1-CE2 3.89Å; Y160-Y192 HydrophobicContact CD1-CG 4.05Å; Y160-Y192 AromaticContact CD1-CZ 3.62Å; Y160-Y192 HydrophobicContact CE1-CD1 4.02Å; Y160-Y192 AromaticContact CE1-CD2 3.96Å; Y160-Y192 HydrophobicContact CE1-CD2 3.96Å; Y160-Y192 HydrophobicContact CE1-CE1 4.24Å; Y160-Y192 HydrophobicContact CE1-CE2 4.18Å; Y160-Y192 AromaticContact CE1-CG 3.88Å; Y160-Y192 HydrophobicContact CE1-CG 3.88Å; Y160-Y192 HydrophobicContact CG-CE1 4.5Å
161	R	81.9	Confident	88	Confident	244 Å²	244	60.4 Å²	60.4	92%	0.921	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.3	-174.4	-64.7	-177.1	179.4	-177.8	-0.3	114.9	V163	R161-V163 VanDerWaalsContact C-N 3.31Å
162	N	85.5	Confident	88.2	Confident	108 Å²	108	59.3 Å²	59.3	58%	0.578	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	3.5	-176.7	-59.7	-14.4	0	0	0	112.9	Y160 L176	Y160-N162 PolarHBondContact O-N 3.2Å; N162-L176 HydrophobicContact CB-CD1 4.19Å
163	V	89.1	Confident	88.2	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	30%	0.302	C	S	.	.			trans	-120.9	126.5	-177.6	180	0	0	0	0	109.8	T157 Y160 R161 V165 L176 A177 A180 Y192	T157-V163 HydrophobicContact CG2-CG1 4.06Å; Y160-V163 PolarHBondContact O-N 3.07Å; R161-V163 VanDerWaalsContact C-N 3.31Å; V163-V165 HydrophobicContact CG1-CG2 3.87Å; V163-L176 HydrophobicContact CG2-CB 3.79Å; V163-A177 HydrophobicContact CG1-CB 3.89Å; V163-A180 HydrophobicContact CG2-CB 4Å; V163-Y192 WeakPolarHBondContact CG2-OH 3.33Å
164	N	89.7	Confident	88.1	Confident	107 Å²	107	62.4 Å²	62.4	57%	0.572	31%	0.308	S	S	*	.			trans	-137.3	101.1	174.5	178.5	19.3	0	0	0	109.1	Q166	N164-Q166 PolarHBondContact ND2-NE2 2.75Å; N164-Q166 PolarHBondContact O-N 3.32Å
165	V	90.7	Very high	88.1	Confident	2 Å²	2	59 Å²	59	1%	0.012	29%	0.292	C	S	.	.			trans	-89.7	105.3	-176.6	-173.3	0	0	0	0	109.8	L150 C153 Q154 T157 V163 W172 A177	L150-V165 HydrophobicContact CD1-CG1 3.84Å; C153-V165 HydrophobicContact CB-CG1 4.02Å; Q154-V165 HydrophobicContact CG-CB 4.25Å; Q154-V165 WeakPolarHBondContact CG-O 3.48Å; Q154-V165 PolarHBondContact NE2-O 3.37Å; T157-V165 HydrophobicContact CG2-CG2 4.44Å; V163-V165 HydrophobicContact CG1-CG2 3.87Å; V165-W172 HydrophobicContact CG1-CZ2 3.88Å; V165-A177 HydrophobicContact CG2-CB 4.08Å
166	Q	89.4	Confident	88.4	Confident	127 Å²	127	51.9 Å²	51.9	59%	0.593	27%	0.265	S	S	*	.			trans	-110.2	-22	178.4	-64.6	-174.4	-14.7	0	0	113.1	N164 S171	N164-Q166 PolarHBondContact ND2-NE2 2.75Å; N164-Q166 PolarHBondContact O-N 3.32Å; Q166-S171 PolarHBondContact N-OG 2.95Å
167	N	89.5	Confident	88.7	Confident	30 Å²	30	49.4 Å²	49.4	16%	0.16	25%	0.254	C	S	.	.	S	Bend	trans	-150.5	173	-176.3	59.6	44.4	0	0	0	110.5	H169 T170 S171 W172	N167-H169 VanDerWaalsContact CB-NE2 3.33Å; N167-H169 WeakPolarHBondContact CB-NE2 3.26Å; N167-H169 VanDerWaalsContact CG-CE1 3.48Å; N167-H169 VanDerWaalsContact CG-NE2 3.28Å; N167-H169 PolarHBondContact ND2-CE1 3.36Å; N167-H169 VanDerWaalsContact ND2-CE1 3.27Å; N167-H169 PolarHBondContact ND2-NE2 3.01Å; N167-H169 PolarHBondContact OD1-N 3.5Å; N167-H169 VanDerWaalsContact OD1-N 3.14Å; N167-T170 PolarHBondContact ND2-OG1 2.83Å; N167-T170 PolarHBondContact OD1-N 2.79Å; N167-T170 PolarHBondContact OD1-OG1 3.21Å; N167-S171 VanDerWaalsContact CG-OG 3.26Å; N167-S171 PolarHBondContact N-OG 3.28Å; N167-S171 VanDerWaalsContact N-OG 3.11Å; N167-S171 WeakPolarHBondContact O-CB 3.45Å; N167-S171 PolarHBondContact O-OG 2.97Å; N167-S171 WeakPolarHBondContact OD1-CB 3.4Å; N167-S171 PolarHBondContact OD1-N 3.02Å; N167-S171 PolarHBondContact OD1-OG 3.43Å; N167-W172 VanDerWaalsContact O-CD1 3.27Å; N167-W172 PolarHBondContact O-NE1 3.45Å
168	F	89.2	Confident	88.9	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.253	C	S	.	.	S	Bend	trans	-99.4	28.5	174.9	-68.1	-74.9	0	0	0	113.1	K146 L149 L150 W172 E234 I237 I238 V241	K146-F168 HydrophobicContact CG-CD2 4.26Å; K146-F168 HydrophobicContact CG-CE2 3.95Å; L149-F168 HydrophobicContact CB-CZ 4.13Å; L149-F168 HydrophobicContact CD2-CE1 4.27Å; L149-F168 HydrophobicContact CD2-CZ 4.01Å; L149-F168 HydrophobicContact CG-CE1 4.24Å; L149-F168 HydrophobicContact CG-CZ 3.81Å; L150-F168 HydrophobicContact CB-CE2 3.79Å; L150-F168 HydrophobicContact CB-CZ 3.94Å; L150-F168 HydrophobicContact CD1-CE2 4.12Å; L150-F168 HydrophobicContact CD1-CZ 4.2Å; L150-F168 HydrophobicContact CG-CE2 4.47Å; F168-W172 HydrophobicContact CD1-CZ2 4.23Å; F168-W172 AromaticContact CD1-NE1 3.84Å; F168-W172 HydrophobicContact CE1-CZ2 4.21Å; F168-E234 HydrophobicContact CB-CG 3.68Å; F168-E234 WeakPolarHBondContact O-CA 3.41Å; F168-I237 HydrophobicContact CB-CG2 4.17Å; F168-I237 HydrophobicContact CD1-CG2 4.24Å; F168-I237 WeakPolarHBondContact O-CB 3.29Å; F168-I237 WeakPolarHBondContact O-CD1 3.5Å; F168-I237 WeakPolarHBondContact O-CG2 3.37Å; F168-I238 HydrophobicContact CB-CD1 4.13Å; F168-I238 HydrophobicContact CB-CG1 3.46Å; F168-I238 VanDerWaalsContact CB-CG1 3.46Å; F168-I238 HydrophobicContact CD1-CG1 3.96Å; F168-I238 HydrophobicContact CD2-CD1 3.89Å; F168-I238 HydrophobicContact CD2-CG1 3.54Å; F168-I238 HydrophobicContact CE2-CG1 4.18Å; F168-I238 HydrophobicContact CG-CD1 4.18Å; F168-I238 HydrophobicContact CG-CG1 3.4Å; F168-V241 HydrophobicContact CE1-CB 4.39Å; F168-V241 HydrophobicContact CE1-CG1 4.11Å
169	H	85.4	Confident	89.2	Confident	55 Å²	55	45.8 Å²	45.8	26%	0.255	23%	0.225	S	C	.	.	S	Bend	trans	-128.6	-87.2	173.7	52.7	95.2	0	0	0	110.5	N167 S171 W172 P232	N167-H169 VanDerWaalsContact CB-NE2 3.33Å; N167-H169 WeakPolarHBondContact CB-NE2 3.26Å; N167-H169 VanDerWaalsContact CG-CE1 3.48Å; N167-H169 VanDerWaalsContact CG-NE2 3.28Å; N167-H169 PolarHBondContact ND2-CE1 3.36Å; N167-H169 VanDerWaalsContact ND2-CE1 3.27Å; N167-H169 PolarHBondContact ND2-NE2 3.01Å; N167-H169 PolarHBondContact OD1-N 3.5Å; N167-H169 VanDerWaalsContact OD1-N 3.14Å; H169-S171 VanDerWaalsContact C-N 3.31Å; H169-S171 PolarHBondContact O-N 2.76Å; H169-W172 PolarHBondContact O-N 3.27Å; H169-P232 VanDerWaalsContact CB-O 3.25Å; H169-P232 WeakPolarHBondContact CB-O 3.42Å
170	T	87.6	Confident	89.5	Confident	60 Å²	60	41.9 Å²	41.9	37%	0.368	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-68.3	-26.1	-172	49.5	0	0	0	0	113.9	N167 W172 K173	N167-T170 PolarHBondContact ND2-OG1 2.83Å; N167-T170 PolarHBondContact OD1-N 2.79Å; N167-T170 PolarHBondContact OD1-OG1 3.21Å; T170-W172 PolarHBondContact O-N 3.07Å; T170-K173 WeakPolarHBondContact O-CB 3.47Å; T170-K173 PolarHBondContact O-N 2.61Å
171	S	90.1	Very high	89.6	Confident	19 Å²	19	40.6 Å²	40.6	13%	0.133	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.8	-15.9	-179.4	-53.8	0	0	0	0	114	Q166 N167 H169	Q166-S171 PolarHBondContact N-OG 2.95Å; N167-S171 VanDerWaalsContact CG-OG 3.26Å; N167-S171 PolarHBondContact N-OG 3.28Å; N167-S171 VanDerWaalsContact N-OG 3.11Å; N167-S171 WeakPolarHBondContact O-CB 3.45Å; N167-S171 PolarHBondContact O-OG 2.97Å; N167-S171 WeakPolarHBondContact OD1-CB 3.4Å; N167-S171 PolarHBondContact OD1-N 3.02Å; N167-S171 PolarHBondContact OD1-OG 3.43Å; H169-S171 VanDerWaalsContact C-N 3.31Å; H169-S171 PolarHBondContact O-N 2.76Å
172	W	91.5	Very high	90.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-105.5	-2.5	-175.3	-62.1	82.5	0	0	0	113.3	C153 V165 N167 F168 H169 T170 D174 G175 A177 F178 L181 I237 V241	C153-W172 HydrophobicContact CB-CH2 4.37Å; C153-W172 HydrophobicContact CB-CZ2 4.13Å; V165-W172 HydrophobicContact CG1-CZ2 3.88Å; N167-W172 VanDerWaalsContact O-CD1 3.27Å; N167-W172 PolarHBondContact O-NE1 3.45Å; F168-W172 HydrophobicContact CD1-CZ2 4.23Å; F168-W172 AromaticContact CD1-NE1 3.84Å; F168-W172 HydrophobicContact CE1-CZ2 4.21Å; H169-W172 PolarHBondContact O-N 3.27Å; T170-W172 PolarHBondContact O-N 3.07Å; W172-D174 VanDerWaalsContact C-N 3.32Å; W172-D174 PolarHBondContact O-N 3.14Å; W172-G175 PolarHBondContact O-N 3.41Å; W172-G175 VanDerWaalsContact O-N 3.17Å; W172-A177 HydrophobicContact CD2-CB 3.97Å; W172-A177 HydrophobicContact CE3-CB 3.55Å; W172-A177 HydrophobicContact CH2-CB 4.49Å; W172-A177 HydrophobicContact CZ3-CB 3.85Å; W172-F178 HydrophobicContact CB-CE2 3.98Å; W172-F178 HydrophobicContact CB-CZ 4.42Å; W172-F178 HydrophobicContact CD2-CE2 4.36Å; W172-F178 HydrophobicContact CD2-CZ 4.21Å; W172-F178 AromaticContact CE3-CD1 3.73Å; W172-F178 HydrophobicContact CE3-CD1 3.73Å; W172-F178 AromaticContact CE3-CD2 3.8Å; W172-F178 HydrophobicContact CE3-CD2 3.8Å; W172-F178 AromaticContact CE3-CE1 3.57Å; W172-F178 HydrophobicContact CE3-CE1 3.57Å; W172-F178 AromaticContact CE3-CE2 3.67Å; W172-F178 HydrophobicContact CE3-CE2 3.67Å; W172-F178 AromaticContact CE3-CG 3.83Å; W172-F178 HydrophobicContact CE3-CG 3.83Å; W172-F178 AromaticContact CE3-CZ 3.54Å; W172-F178 HydrophobicContact CE3-CZ 3.54Å; W172-F178 AromaticContact CZ3-CD1 3.62Å; W172-F178 HydrophobicContact CZ3-CD1 3.62Å; W172-F178 HydrophobicContact CZ3-CD2 4.46Å; W172-F178 AromaticContact CZ3-CE1 3.67Å; W172-F178 HydrophobicContact CZ3-CE1 3.67Å; W172-F178 HydrophobicContact CZ3-CG 4.03Å; W172-F178 HydrophobicContact CZ3-CZ 4.14Å; W172-L181 HydrophobicContact CH2-CD1 3.48Å; W172-L181 VanDerWaalsContact CH2-CD1 3.48Å; W172-L181 HydrophobicContact CZ3-CD1 3.78Å; W172-I237 HydrophobicContact CB-CD1 4.34Å; W172-I237 HydrophobicContact CB-CG2 4.39Å; W172-I237 HydrophobicContact CD2-CG2 4.15Å; W172-I237 HydrophobicContact CG-CG2 3.87Å; W172-V241 HydrophobicContact CD2-CG2 4.31Å; W172-V241 HydrophobicContact CE3-CG2 4.11Å; W172-V241 HydrophobicContact CH2-CB 4.32Å; W172-V241 HydrophobicContact CH2-CG1 3.8Å; W172-V241 HydrophobicContact CH2-CG2 3.45Å; W172-V241 VanDerWaalsContact CH2-CG2 3.45Å; W172-V241 HydrophobicContact CZ2-CG1 4.11Å; W172-V241 HydrophobicContact CZ2-CG2 3.71Å; W172-V241 HydrophobicContact CZ3-CG2 3.69Å
173	K	89.2	Confident	90.4	Very high	58 Å²	58	26.2 Å²	26.2	25%	0.252	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.3	-168.7	-171.2	166	-176.1	162.1	0	114	T170 G175 V227 V229 P230	T170-K173 WeakPolarHBondContact O-CB 3.47Å; T170-K173 PolarHBondContact O-N 2.61Å; K173-G175 VanDerWaalsContact C-N 3.3Å; K173-V227 WeakPolarHBondContact CE-O 3.44Å; K173-V227 PolarHBondContact NZ-O 2.8Å; K173-V229 PolarHBondContact NZ-O 3.26Å; K173-P230 PolarHBondContact NZ-O 3.08Å
174	D	89	Confident	90.3	Very high	23 Å²	23	31.7 Å²	31.7	12%	0.123	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.5	178.7	61.4	16.3	0	0	0	114.1	W172 L176 K197 N203	W172-D174 VanDerWaalsContact C-N 3.32Å; W172-D174 PolarHBondContact O-N 3.14Å; D174-L176 PolarHBondContact O-N 3.46Å; D174-L176 VanDerWaalsContact O-N 3.09Å; D174-L176 PolarHBondContact OD1-N 3.49Å; D174-L176 VanDerWaalsContact OD1-N 3.09Å; D174-K197 HydrophobicContact CB-CG 3.91Å; D174-K197 VanDerWaalsContact OD2-CE 3.29Å; D174-K197 WeakPolarHBondContact OD2-CE 3.33Å; D174-K197 IonicContact OD2-NZ 2.67Å; D174-N203 WeakPolarHBondContact O-CB 3.46Å; D174-N203 PolarHBondContact O-ND2 2.82Å
175	G	90.4	Very high	90	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	71.6	-10	-178.5	0	0	0	0	0	115.2	W172 K173 A177 F178 C179	W172-G175 PolarHBondContact O-N 3.41Å; W172-G175 VanDerWaalsContact O-N 3.17Å; K173-G175 VanDerWaalsContact C-N 3.3Å; G175-A177 VanDerWaalsContact C-N 3.33Å; G175-A177 PolarHBondContact O-N 3.02Å; G175-F178 PolarHBondContact O-N 2.93Å; G175-C179 PolarHBondContact O-N 2.87Å
176	L	92.4	Very high	89.7	Confident	1 Å²	1	33 Å²	33	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-34.3	-176.1	-67.8	177	0	0	0	111.6	N162 V163 D174 F178 C179 A180 L195 K197	N162-L176 HydrophobicContact CB-CD1 4.19Å; V163-L176 HydrophobicContact CG2-CB 3.79Å; D174-L176 PolarHBondContact O-N 3.46Å; D174-L176 VanDerWaalsContact O-N 3.09Å; D174-L176 PolarHBondContact OD1-N 3.49Å; D174-L176 VanDerWaalsContact OD1-N 3.09Å; L176-F178 PolarHBondContact O-N 2.8Å; L176-C179 PolarHBondContact O-N 3.04Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 3.16Å; L176-L195 HydrophobicContact CD2-CB 3.87Å; L176-K197 HydrophobicContact CD1-CB 3.93Å; L176-K197 HydrophobicContact CD1-CG 4.29Å
177	A	92.8	Very high	89.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-41.8	175.9	0	0	0	0	0	112.8	V163 V165 W172 G175 A180 L181	V163-A177 HydrophobicContact CG1-CB 3.89Å; V165-A177 HydrophobicContact CG2-CB 4.08Å; W172-A177 HydrophobicContact CD2-CB 3.97Å; W172-A177 HydrophobicContact CE3-CB 3.55Å; W172-A177 HydrophobicContact CH2-CB 4.49Å; W172-A177 HydrophobicContact CZ3-CB 3.85Å; G175-A177 VanDerWaalsContact C-N 3.33Å; G175-A177 PolarHBondContact O-N 3.02Å; A177-A180 PolarHBondContact O-N 2.9Å; A177-L181 PolarHBondContact O-N 3.28Å
178	F	93.9	Very high	89.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-48.1	175.3	-71.4	-68.2	0	0	0	111.3	W172 G175 L176 A180 L181 I182 L204 A207 F208 L221 Y240 V241 Y244	W172-F178 HydrophobicContact CB-CE2 3.98Å; W172-F178 HydrophobicContact CB-CZ 4.42Å; W172-F178 HydrophobicContact CD2-CE2 4.36Å; W172-F178 HydrophobicContact CD2-CZ 4.21Å; W172-F178 AromaticContact CE3-CD1 3.73Å; W172-F178 HydrophobicContact CE3-CD1 3.73Å; W172-F178 AromaticContact CE3-CD2 3.8Å; W172-F178 HydrophobicContact CE3-CD2 3.8Å; W172-F178 AromaticContact CE3-CE1 3.57Å; W172-F178 HydrophobicContact CE3-CE1 3.57Å; W172-F178 AromaticContact CE3-CE2 3.67Å; W172-F178 HydrophobicContact CE3-CE2 3.67Å; W172-F178 AromaticContact CE3-CG 3.83Å; W172-F178 HydrophobicContact CE3-CG 3.83Å; W172-F178 AromaticContact CE3-CZ 3.54Å; W172-F178 HydrophobicContact CE3-CZ 3.54Å; W172-F178 AromaticContact CZ3-CD1 3.62Å; W172-F178 HydrophobicContact CZ3-CD1 3.62Å; W172-F178 HydrophobicContact CZ3-CD2 4.46Å; W172-F178 AromaticContact CZ3-CE1 3.67Å; W172-F178 HydrophobicContact CZ3-CE1 3.67Å; W172-F178 HydrophobicContact CZ3-CG 4.03Å; W172-F178 HydrophobicContact CZ3-CZ 4.14Å; G175-F178 PolarHBondContact O-N 2.93Å; L176-F178 PolarHBondContact O-N 2.8Å; F178-A180 VanDerWaalsContact C-N 3.32Å; F178-A180 PolarHBondContact O-N 3.35Å; F178-L181 PolarHBondContact O-N 3.45Å; F178-I182 WeakPolarHBondContact O-CG1 3.48Å; F178-I182 PolarHBondContact O-N 3.12Å; F178-I182 VanDerWaalsContact O-N 3.09Å; F178-L204 HydrophobicContact CD2-CD2 3.66Å; F178-L204 HydrophobicContact CE2-CD2 3.88Å; F178-A207 HydrophobicContact CB-CB 3.68Å; F178-F208 HydrophobicContact CD2-CE1 4.14Å; F178-F208 HydrophobicContact CE2-CE1 4.13Å; F178-F208 HydrophobicContact CE2-CZ 4.44Å; F178-F208 HydrophobicContact CG-CE1 4.42Å; F178-F208 HydrophobicContact CZ-CE1 4.43Å; F178-L221 HydrophobicContact CZ-CD1 4.2Å; F178-Y240 HydrophobicContact CD1-CD1 4.31Å; F178-Y240 HydrophobicContact CD1-CE1 4.32Å; F178-Y240 AromaticContact CE1-CD1 3.53Å; F178-Y240 HydrophobicContact CE1-CD1 3.53Å; F178-Y240 AromaticContact CE1-CE1 3.97Å; F178-Y240 HydrophobicContact CE1-CE1 3.97Å; F178-Y240 AromaticContact CZ-CD1 3.85Å; F178-Y240 HydrophobicContact CZ-CD1 3.85Å; F178-Y240 HydrophobicContact CZ-CE1 4.42Å; F178-V241 HydrophobicContact CE1-CG2 3.74Å; F178-V241 HydrophobicContact CZ-CG2 4.27Å; F178-Y244 HydrophobicContact CD1-CE2 4.05Å; F178-Y244 HydrophobicContact CE1-CE2 4.33Å
179	C	92.9	Very high	89.2	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-41.6	177	-69.2	0	0	0	0	112.1	G175 L176 I182 H183 L190 Y192 L195 N203	G175-C179 PolarHBondContact O-N 2.87Å; L176-C179 PolarHBondContact O-N 3.04Å; C179-I182 PolarHBondContact O-N 3.27Å; C179-H183 VanDerWaalsContact O-CB 3.3Å; C179-H183 WeakPolarHBondContact O-CB 3.38Å; C179-H183 PolarHBondContact O-N 2.87Å; C179-L190 HydrophobicContact CB-CD1 3.91Å; C179-Y192 HydrophobicContact CB-CD2 4.24Å; C179-Y192 HydrophobicContact CB-CE2 4.17Å; C179-L195 HydrophobicContact CB-CD1 3.49Å; C179-L195 VanDerWaalsContact CB-CD1 3.49Å; C179-N203 PolarHBondContact SG-O 3.14Å
180	A	91.7	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-41	178.4	0	0	0	0	0	111.8	T157 Y160 V163 L176 A177 F178 H183 R184 Y192	T157-A180 HydrophobicContact CG2-CB 3.99Å; Y160-A180 HydrophobicContact CD1-CB 4.13Å; Y160-A180 HydrophobicContact CD2-CB 3.75Å; Y160-A180 HydrophobicContact CE1-CB 4.36Å; Y160-A180 HydrophobicContact CE2-CB 3.98Å; Y160-A180 HydrophobicContact CG-CB 3.8Å; Y160-A180 PolarHBondContact OH-O 3.12Å; V163-A180 HydrophobicContact CG2-CB 4Å; L176-A180 WeakPolarHBondContact O-CB 3.41Å; L176-A180 PolarHBondContact O-N 3.16Å; A177-A180 PolarHBondContact O-N 2.9Å; F178-A180 VanDerWaalsContact C-N 3.32Å; F178-A180 PolarHBondContact O-N 3.35Å; A180-H183 PolarHBondContact O-N 2.94Å; A180-R184 WeakPolarHBondContact O-CB 3.38Å; A180-R184 PolarHBondContact O-N 3.25Å; A180-Y192 HydrophobicContact CB-CE2 3.76Å
181	L	90.9	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-43.1	175.6	-81.7	-179	0	0	0	112.5	W152 K156 T157 W172 A177 F178 H185	W152-L181 HydrophobicContact CE3-CD2 4.39Å; W152-L181 HydrophobicContact CH2-CD1 4.37Å; W152-L181 HydrophobicContact CH2-CD2 3.96Å; W152-L181 HydrophobicContact CZ3-CD1 3.86Å; W152-L181 HydrophobicContact CZ3-CD2 3.81Å; K156-L181 HydrophobicContact CB-CD2 3.63Å; K156-L181 HydrophobicContact CG-CD2 4.44Å; T157-L181 HydrophobicContact CG2-CD2 3.93Å; T157-L181 HydrophobicContact CG2-CG 3.93Å; W172-L181 HydrophobicContact CH2-CD1 3.48Å; W172-L181 VanDerWaalsContact CH2-CD1 3.48Å; W172-L181 HydrophobicContact CZ3-CD1 3.78Å; A177-L181 PolarHBondContact O-N 3.28Å; F178-L181 PolarHBondContact O-N 3.45Å; L181-H185 PolarHBondContact O-N 2.85Å; L181-H185 PolarHBondContact O-ND1 2.95Å
182	I	91.2	Very high	89.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66	-49.7	176.5	-59.9	167.1	0	0	0	109.9	F178 C179 R184 H185 R186 L189 L190 A207 V210 L215 Y244 F248	F178-I182 WeakPolarHBondContact O-CG1 3.48Å; F178-I182 PolarHBondContact O-N 3.12Å; F178-I182 VanDerWaalsContact O-N 3.09Å; C179-I182 PolarHBondContact O-N 3.27Å; I182-R184 PolarHBondContact O-N 3.43Å; I182-H185 PolarHBondContact O-N 3.3Å; I182-H185 VanDerWaalsContact O-N 3.12Å; I182-R186 CarbonylContact O-C 3.52Å; I182-R186 PolarHBondContact O-N 3.37Å; I182-L189 HydrophobicContact CG2-CB 4.37Å; I182-L189 HydrophobicContact CG2-CD1 4.43Å; I182-L190 HydrophobicContact CB-CD2 3.44Å; I182-L190 VanDerWaalsContact CB-CD2 3.44Å; I182-L190 HydrophobicContact CG2-CD2 3.32Å; I182-A207 HydrophobicContact CD1-CB 4.1Å; I182-V210 HydrophobicContact CD1-CG1 4.39Å; I182-V210 HydrophobicContact CG2-CG1 4.02Å; I182-L215 HydrophobicContact CG1-CD1 4.34Å; I182-L215 HydrophobicContact CG2-CD1 4.44Å; I182-Y244 HydrophobicContact CD1-CE1 3.79Å; I182-Y244 HydrophobicContact CG1-CD1 4.23Å; I182-Y244 HydrophobicContact CG1-CE1 3.55Å; I182-F248 HydrophobicContact CG1-CZ 4.35Å
183	H	91.4	Very high	88.9	Confident	50 Å²	50	41.9 Å²	41.9	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-32.2	-178.2	-175.6	-106.2	0	0	0	112	Y160 C179 A180 H185 P187 L190 Y192	Y160-H183 HydrophobicContact CE1-CB 4.49Å; Y160-H183 AromaticContact CE1-ND1 3.45Å; Y160-H183 WeakPolarHBondContact CE1-ND1 3.29Å; Y160-H183 AromaticContact CZ-ND1 3.54Å; Y160-H183 PolarHBondContact OH-ND1 3.38Å; C179-H183 VanDerWaalsContact O-CB 3.3Å; C179-H183 WeakPolarHBondContact O-CB 3.38Å; C179-H183 PolarHBondContact O-N 2.87Å; A180-H183 PolarHBondContact O-N 2.94Å; H183-H185 VanDerWaalsContact C-N 3.31Å; H183-H185 PolarHBondContact O-N 3Å; H183-P187 VanDerWaalsContact O-CA 3.27Å; H183-P187 WeakPolarHBondContact O-CA 3.45Å; H183-P187 WeakPolarHBondContact O-CB 3.19Å; H183-P187 WeakPolarHBondContact O-CD 3.06Å; H183-L190 HydrophobicContact CB-CD1 3.92Å; H183-L190 HydrophobicContact CB-CD2 4.07Å; H183-L190 HydrophobicContact CB-CG 3.95Å; H183-L190 PolarHBondContact CD2-O 3.31Å; H183-L190 VanDerWaalsContact CD2-O 3.24Å; H183-Y192 HydrophobicContact CB-CD2 4.42Å
184	R	86.9	Confident	88.8	Confident	132 Å²	132	47 Å²	47	50%	0.498	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-35.4	177.3	-174.3	62.5	174.6	128	-3.2	112.7	K156 Y160 A180 I182	K156-R184 HydrophobicContact CB-CG 4.32Å; K156-R184 HydrophobicContact CD-CG 4.37Å; K156-R184 WeakPolarHBondContact O-CG 3.35Å; Y160-R184 HydrophobicContact CE2-CB 4.12Å; Y160-R184 WeakPolarHBondContact OH-CA 3.47Å; Y160-R184 PolarHBondContact OH-N 3.31Å; Y160-R184 VanDerWaalsContact OH-N 3.08Å; A180-R184 WeakPolarHBondContact O-CB 3.38Å; A180-R184 PolarHBondContact O-N 3.25Å; I182-R184 PolarHBondContact O-N 3.43Å
185	H	84.7	Confident	88.8	Confident	40 Å²	40	47 Å²	47	19%	0.185	22%	0.222	C	C	.	.	H	α-helix	trans	-97.5	-32.6	-176.8	-67	92.1	0	0	0	112.7	W152 L181 I182 H183 F248 Q252	W152-H185 AromaticContact CZ2-CE1 3.6Å; W152-H185 AromaticContact CZ2-NE2 3.92Å; L181-H185 PolarHBondContact O-N 2.85Å; L181-H185 PolarHBondContact O-ND1 2.95Å; I182-H185 PolarHBondContact O-N 3.3Å; I182-H185 VanDerWaalsContact O-N 3.12Å; H183-H185 VanDerWaalsContact C-N 3.31Å; H183-H185 PolarHBondContact O-N 3Å; H185-F248 HydrophobicContact CB-CD1 3.59Å; H185-F248 HydrophobicContact CB-CD2 4.31Å; H185-F248 HydrophobicContact CB-CE1 3.65Å; H185-F248 HydrophobicContact CB-CE2 4.33Å; H185-F248 HydrophobicContact CB-CG 3.96Å; H185-F248 HydrophobicContact CB-CZ 4.03Å; H185-F248 AromaticContact CD2-CG 3.86Å; H185-F248 AromaticContact CE1-CD2 3.83Å; H185-F248 AromaticContact CG-CD1 3.8Å; H185-F248 AromaticContact CG-CD2 3.79Å; H185-F248 AromaticContact CG-CG 3.61Å; H185-F248 AromaticContact ND1-CD2 3.5Å; H185-F248 AromaticContact ND1-CE2 3.75Å; H185-F248 AromaticContact ND1-CG 3.82Å; H185-Q252 PolarHBondContact CD2-NE2 3.04Å; H185-Q252 PolarHBondContact NE2-NE2 3.01Å
186	R	84.5	Confident	88.6	Confident	97 Å²	97	49.7 Å²	49.7	37%	0.366	24%	0.241	S	C	.	.			trans	-140.6	72.8	-176.1	-62.6	-69.2	-119.3	142.1	5.9	109.4	I182 E188 L189 L215 F248	I182-R186 CarbonylContact O-C 3.52Å; I182-R186 PolarHBondContact O-N 3.37Å; R186-E188 VanDerWaalsContact CA-OE2 3.25Å; R186-E188 WeakPolarHBondContact CA-OE2 3.5Å; R186-E188 VanDerWaalsContact CD-OE1 3.26Å; R186-E188 WeakPolarHBondContact CD-OE1 3.43Å; R186-E188 IonicContact CZ-OE1 3.29Å; R186-E188 VanDerWaalsContact CZ-OE1 3.28Å; R186-E188 IonicContact NE-OE1 3.51Å; R186-E188 IonicContact NH1-OE1 2.72Å; R186-E188 PolarHBondContact NH1-OE1 2.96Å; R186-E188 PolarHBondContact O-N 3.35Å; R186-E188 VanDerWaalsContact O-N 3.14Å; R186-L189 HydrophobicContact CB-CB 4.4Å; R186-L189 HydrophobicContact CB-CD1 3.57Å; R186-L189 HydrophobicContact CB-CG 3.84Å; R186-L189 HydrophobicContact CG-CD1 4.01Å; R186-L189 PolarHBondContact O-N 2.95Å; R186-L189 VanDerWaalsContact O-N 3.15Å; R186-L215 HydrophobicContact CG-CD2 4.44Å; R186-F248 HydrophobicContact CG-CE1 4.42Å
187	P	84.6	Confident	88.3	Confident	74 Å²	74	55.9 Å²	55.9	48%	0.481	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61.3	-20.9	-176.8	24.3	-33.2	0	0	0	113.2	H183 L189 L190	H183-P187 VanDerWaalsContact O-CA 3.27Å; H183-P187 WeakPolarHBondContact O-CA 3.45Å; H183-P187 WeakPolarHBondContact O-CB 3.19Å; H183-P187 WeakPolarHBondContact O-CD 3.06Å; P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.27Å; P187-L190 VanDerWaalsContact O-O 3.04Å
188	E	85.4	Confident	88	Confident	115 Å²	115	62.9 Å²	62.9	54%	0.537	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-72.2	-17.2	177.9	74.5	-76.1	-176	0	0	114.5	R186	R186-E188 VanDerWaalsContact CA-OE2 3.25Å; R186-E188 WeakPolarHBondContact CA-OE2 3.5Å; R186-E188 VanDerWaalsContact CD-OE1 3.26Å; R186-E188 WeakPolarHBondContact CD-OE1 3.43Å; R186-E188 IonicContact CZ-OE1 3.29Å; R186-E188 VanDerWaalsContact CZ-OE1 3.28Å; R186-E188 IonicContact NE-OE1 3.51Å; R186-E188 IonicContact NH1-OE1 2.72Å; R186-E188 PolarHBondContact NH1-OE1 2.96Å; R186-E188 PolarHBondContact O-N 3.35Å; R186-E188 VanDerWaalsContact O-N 3.14Å
189	L	86.8	Confident	87.8	Confident	33 Å²	33	66.8 Å²	66.8	17%	0.173	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-87	-21.1	-173.7	-66.1	-178.2	0	0	0	113.8	I182 R186 P187 V210 Y214 L215	I182-L189 HydrophobicContact CG2-CB 4.37Å; I182-L189 HydrophobicContact CG2-CD1 4.43Å; R186-L189 HydrophobicContact CB-CB 4.4Å; R186-L189 HydrophobicContact CB-CD1 3.57Å; R186-L189 HydrophobicContact CB-CG 3.84Å; R186-L189 HydrophobicContact CG-CD1 4.01Å; R186-L189 PolarHBondContact O-N 2.95Å; R186-L189 VanDerWaalsContact O-N 3.15Å; P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.27Å; L189-V210 HydrophobicContact CB-CG1 3.85Å; L189-V210 HydrophobicContact CD1-CG1 4.28Å; L189-Y214 HydrophobicContact CD1-CG 4.47Å; L189-Y214 HydrophobicContact CD2-CD1 4.03Å; L189-Y214 HydrophobicContact CD2-CD2 3.96Å; L189-Y214 HydrophobicContact CD2-CE2 4.47Å; L189-Y214 HydrophobicContact CD2-CG 3.7Å; L189-L215 HydrophobicContact CD1-CD2 4.01Å
190	L	88.7	Confident	87.6	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	34%	0.335	C	S	.	.			trans	-148.8	150.3	176.6	70.4	118.9	0	0	0	112.1	C179 I182 H183 P187 Y192 L195	C179-L190 HydrophobicContact CB-CD1 3.91Å; I182-L190 HydrophobicContact CB-CD2 3.44Å; I182-L190 VanDerWaalsContact CB-CD2 3.44Å; I182-L190 HydrophobicContact CG2-CD2 3.32Å; H183-L190 HydrophobicContact CB-CD1 3.92Å; H183-L190 HydrophobicContact CB-CD2 4.07Å; H183-L190 HydrophobicContact CB-CG 3.95Å; H183-L190 PolarHBondContact CD2-O 3.31Å; H183-L190 VanDerWaalsContact CD2-O 3.24Å; P187-L190 VanDerWaalsContact O-O 3.04Å; L190-Y192 HydrophobicContact CD1-CD2 4.21Å; L190-L195 HydrophobicContact CD1-CD1 3.88Å
191	D	87.9	Confident	87.5	Confident	71 Å²	71	70.9 Å²	70.9	38%	0.38	35%	0.349	S	S	.	.			trans	-98.4	100	175.2	-174.9	-8.4	0	0	0	108.9	D193 K194	D191-D193 VanDerWaalsContact C-N 3.28Å; D191-D193 PolarHBondContact O-N 2.95Å; D191-D193 PolarHBondContact OD1-N 3.39Å; D191-K194 HydrophobicContact CB-CD 4.27Å; D191-K194 PolarHBondContact O-N 2.99Å; D191-K194 WeakPolarHBondContact OD2-CD 3.38Å; D191-K194 WeakPolarHBondContact OD2-CE 3.39Å; D191-K194 IonicContact OD2-NZ 3.48Å; D191-K194 PolarHBondContact OD2-NZ 3.11Å
192	Y	87.5	Confident	87.6	Confident	19 Å²	19	75.6 Å²	75.6	8%	0.075	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-67.5	-29.2	-173.5	-168.2	-87.9	0	0	0	112.6	Y160 V163 C179 A180 H183 L190 K194 L195	Y160-Y192 AromaticContact CD1-CD1 3.78Å; Y160-Y192 HydrophobicContact CD1-CD1 3.78Å; Y160-Y192 HydrophobicContact CD1-CD2 4.1Å; Y160-Y192 AromaticContact CD1-CE1 3.56Å; Y160-Y192 HydrophobicContact CD1-CE1 3.56Å; Y160-Y192 AromaticContact CD1-CE2 3.89Å; Y160-Y192 HydrophobicContact CD1-CE2 3.89Å; Y160-Y192 HydrophobicContact CD1-CG 4.05Å; Y160-Y192 AromaticContact CD1-CZ 3.62Å; Y160-Y192 HydrophobicContact CE1-CD1 4.02Å; Y160-Y192 AromaticContact CE1-CD2 3.96Å; Y160-Y192 HydrophobicContact CE1-CD2 3.96Å; Y160-Y192 HydrophobicContact CE1-CE1 4.24Å; Y160-Y192 HydrophobicContact CE1-CE2 4.18Å; Y160-Y192 AromaticContact CE1-CG 3.88Å; Y160-Y192 HydrophobicContact CE1-CG 3.88Å; Y160-Y192 HydrophobicContact CG-CE1 4.5Å; V163-Y192 WeakPolarHBondContact CG2-OH 3.33Å; C179-Y192 HydrophobicContact CB-CD2 4.24Å; C179-Y192 HydrophobicContact CB-CE2 4.17Å; A180-Y192 HydrophobicContact CB-CE2 3.76Å; H183-Y192 HydrophobicContact CB-CD2 4.42Å; L190-Y192 HydrophobicContact CD1-CD2 4.21Å; Y192-K194 PolarHBondContact O-N 2.79Å; Y192-L195 HydrophobicContact CD2-CD1 4.15Å; Y192-L195 WeakPolarHBondContact O-CB 3.31Å; Y192-L195 PolarHBondContact O-N 3.49Å; Y192-L195 VanDerWaalsContact O-N 3.12Å
193	D	85.2	Confident	87.7	Confident	153 Å²	153	75.7 Å²	75.7	82%	0.818	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.9	-176.2	-68.4	-31.1	0	0	0	112.9	D191	D191-D193 VanDerWaalsContact C-N 3.28Å; D191-D193 PolarHBondContact O-N 2.95Å; D191-D193 PolarHBondContact OD1-N 3.39Å
194	K	86.9	Confident	87.7	Confident	166 Å²	166	73.3 Å²	73.3	72%	0.722	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-85.3	-7.8	175.9	-70.4	179.7	178.4	133.8	0	113.8	D191 Y192	D191-K194 HydrophobicContact CB-CD 4.27Å; D191-K194 PolarHBondContact O-N 2.99Å; D191-K194 WeakPolarHBondContact OD2-CD 3.38Å; D191-K194 WeakPolarHBondContact OD2-CE 3.39Å; D191-K194 IonicContact OD2-NZ 3.48Å; D191-K194 PolarHBondContact OD2-NZ 3.11Å; Y192-K194 PolarHBondContact O-N 2.79Å
195	L	88.3	Confident	88	Confident	21 Å²	21	70 Å²	70	11%	0.11	35%	0.352	C	S	.	.			trans	-90.7	134.5	-175.3	-56	176.1	0	0	0	111.1	L176 C179 L190 Y192 N203 L206	L176-L195 HydrophobicContact CD2-CB 3.87Å; C179-L195 HydrophobicContact CB-CD1 3.49Å; C179-L195 VanDerWaalsContact CB-CD1 3.49Å; L190-L195 HydrophobicContact CD1-CD1 3.88Å; Y192-L195 HydrophobicContact CD2-CD1 4.15Å; Y192-L195 WeakPolarHBondContact O-CB 3.31Å; Y192-L195 PolarHBondContact O-N 3.49Å; Y192-L195 VanDerWaalsContact O-N 3.12Å; L195-N203 WeakPolarHBondContact CD2-OD1 3.47Å; L195-L206 HydrophobicContact CD2-CD2 3.64Å
196	S	86.3	Confident	88.4	Confident	57 Å²	57	70.3 Å²	70.3	40%	0.399	36%	0.356	S	S	.	.			trans	-118.6	150.7	174.6	-177.8	0	0	0	0	110.7	D198 D199 N203	S196-D198 PolarHBondContact O-N 3.46Å; S196-D198 PolarHBondContact OG-N 2.84Å; S196-D198 PolarHBondContact OG-OD2 3.08Å; S196-D199 PolarHBondContact O-N 3.22Å; S196-N203 PolarHBondContact O-ND2 3.36Å
197	K	85.4	Confident	88.8	Confident	132 Å²	132	65.8 Å²	65.8	57%	0.574	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.9	173.6	-168	171.5	-177.1	169.3	0	112.8	D174 L176 D199	D174-K197 HydrophobicContact CB-CG 3.91Å; D174-K197 VanDerWaalsContact OD2-CE 3.29Å; D174-K197 WeakPolarHBondContact OD2-CE 3.33Å; D174-K197 IonicContact OD2-NZ 2.67Å; L176-K197 HydrophobicContact CD1-CB 3.93Å; L176-K197 HydrophobicContact CD1-CG 4.29Å; K197-D199 VanDerWaalsContact C-N 3.28Å; K197-D199 PolarHBondContact O-N 3.02Å
198	D	86.3	Confident	89.2	Confident	147 Å²	147	62.2 Å²	62.2	79%	0.786	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.6	-175.3	-55.8	-46.8	0	0	0	113.9	S196 P200	S196-D198 PolarHBondContact O-N 3.46Å; S196-D198 PolarHBondContact OG-N 2.84Å; S196-D198 PolarHBondContact OG-OD2 3.08Å; D198-P200 VanDerWaalsContact C-CD 3.41Å; D198-P200 WeakPolarHBondContact O-CD 3.2Å
199	D	90.2	Very high	89.5	Confident	81 Å²	81	59.1 Å²	59.1	43%	0.433	31%	0.307	S	S	.	.			trans	-122.5	67.7	178.8	-165.5	-3.1	0	0	0	112.3	S196 K197 L201 H202 N203	S196-D199 PolarHBondContact O-N 3.22Å; K197-D199 VanDerWaalsContact C-N 3.28Å; K197-D199 PolarHBondContact O-N 3.02Å; D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 2.67Å; D199-H202 HydrophobicContact CB-CB 4.22Å; D199-H202 PolarHBondContact O-N 3.3Å; D199-H202 WeakPolarHBondContact OD1-CB 3.43Å; D199-H202 PolarHBondContact OD1-N 3.29Å; D199-H202 WeakPolarHBondContact OD2-CB 3.45Å; D199-H202 IonicContact OD2-CG 2.69Å; D199-N203 PolarHBondContact O-N 3.47Å; D199-N203 VanDerWaalsContact O-N 3.13Å; D199-N203 PolarHBondContact O-ND2 2.99Å; D199-N203 PolarHBondContact O-OD1 3.17Å
200	P	88.4	Confident	89.7	Confident	31 Å²	31	58 Å²	58	20%	0.201	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-31.7	-173.9	29.7	-38.1	0	0	0	112.9	D198 N203 L204 V227	D198-P200 VanDerWaalsContact C-CD 3.41Å; D198-P200 WeakPolarHBondContact O-CD 3.2Å; P200-N203 PolarHBondContact O-N 2.87Å; P200-L204 WeakPolarHBondContact O-CB 3.4Å; P200-L204 WeakPolarHBondContact O-CD1 3.45Å; P200-L204 VanDerWaalsContact O-CG 3.31Å; P200-L204 WeakPolarHBondContact O-CG 3.19Å; P200-L204 PolarHBondContact O-N 2.98Å; P200-V227 HydrophobicContact CB-CG2 3.88Å; P200-V227 HydrophobicContact CG-CG1 3.96Å; P200-V227 HydrophobicContact CG-CG2 4.12Å
201	L	91	Very high	89.8	Confident	57 Å²	57	57.3 Å²	57.3	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-41.9	177.8	-77.8	172.2	0	0	0	111.5	D199 N205 A223 E224 V227	D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 2.67Å; L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 PolarHBondContact O-N 3.26Å; L201-N205 VanDerWaalsContact O-N 3.16Å; L201-N205 PolarHBondContact O-ND2 3.09Å; L201-A223 HydrophobicContact CD2-CB 4.11Å; L201-E224 HydrophobicContact CD2-CG 4.09Å; L201-V227 HydrophobicContact CD2-CB 4.21Å; L201-V227 HydrophobicContact CD2-CG2 4Å; L201-V227 HydrophobicContact CG-CG2 4.24Å
202	H	92.2	Very high	90	Very high	99 Å²	99	58.6 Å²	58.6	46%	0.458	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-47.6	174.7	-179	71.2	0	0	0	111.4	D199 L204 N205 L206	D199-H202 HydrophobicContact CB-CB 4.22Å; D199-H202 PolarHBondContact O-N 3.3Å; D199-H202 WeakPolarHBondContact OD1-CB 3.43Å; D199-H202 PolarHBondContact OD1-N 3.29Å; D199-H202 WeakPolarHBondContact OD2-CB 3.45Å; D199-H202 IonicContact OD2-CG 2.69Å; H202-L204 PolarHBondContact O-N 2.99Å; H202-N205 PolarHBondContact O-N 3.02Å; H202-L206 VanDerWaalsContact O-CB 3.29Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 PolarHBondContact O-N 3.4Å
203	N	92.8	Very high	90	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-47.3	-178.7	-64.7	-18.6	0	0	0	112.1	D174 C179 L195 S196 D199 P200 L206 A207	D174-N203 WeakPolarHBondContact O-CB 3.46Å; D174-N203 PolarHBondContact O-ND2 2.82Å; C179-N203 PolarHBondContact SG-O 3.14Å; L195-N203 WeakPolarHBondContact CD2-OD1 3.47Å; S196-N203 PolarHBondContact O-ND2 3.36Å; D199-N203 PolarHBondContact O-N 3.47Å; D199-N203 VanDerWaalsContact O-N 3.13Å; D199-N203 PolarHBondContact O-ND2 2.99Å; D199-N203 PolarHBondContact O-OD1 3.17Å; P200-N203 PolarHBondContact O-N 2.87Å; N203-L206 PolarHBondContact O-N 2.95Å; N203-A207 WeakPolarHBondContact O-CB 3.13Å; N203-A207 PolarHBondContact O-N 3.06Å
204	L	92	Very high	90.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.5	-47	179.7	-72.4	165	0	0	0	111.9	F178 P200 H202 L206 A207 F208 A223 V226 V227	F178-L204 HydrophobicContact CD2-CD2 3.66Å; F178-L204 HydrophobicContact CE2-CD2 3.88Å; P200-L204 WeakPolarHBondContact O-CB 3.4Å; P200-L204 WeakPolarHBondContact O-CD1 3.45Å; P200-L204 VanDerWaalsContact O-CG 3.31Å; P200-L204 WeakPolarHBondContact O-CG 3.19Å; P200-L204 PolarHBondContact O-N 2.98Å; H202-L204 PolarHBondContact O-N 2.99Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.25Å; L204-A207 PolarHBondContact O-N 3.38Å; L204-F208 HydrophobicContact CB-CE2 4.02Å; L204-F208 HydrophobicContact CB-CZ 4.13Å; L204-F208 HydrophobicContact CD2-CE1 4.15Å; L204-F208 HydrophobicContact CD2-CE2 4.38Å; L204-F208 HydrophobicContact CD2-CZ 3.69Å; L204-F208 HydrophobicContact CG-CZ 4.48Å; L204-F208 WeakPolarHBondContact O-CB 3.49Å; L204-F208 WeakPolarHBondContact O-CD1 3.38Å; L204-F208 VanDerWaalsContact O-CD2 3.3Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 WeakPolarHBondContact O-CG 3.32Å; L204-F208 PolarHBondContact O-N 3.3Å; L204-A223 HydrophobicContact CB-CB 3.71Å; L204-A223 HydrophobicContact CD1-CB 4.34Å; L204-V226 HydrophobicContact CD1-CB 3.97Å; L204-V226 HydrophobicContact CD1-CG1 3.84Å; L204-V226 HydrophobicContact CD2-CG1 4.25Å; L204-V227 HydrophobicContact CD1-CG2 3.46Å; L204-V227 VanDerWaalsContact CD1-CG2 3.46Å
205	N	93.2	Very high	90.1	Very high	62 Å²	62	55.6 Å²	55.6	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-36.9	178	-80.8	-63.4	0	0	0	112.2	L201 H202 S209 R219 A223	L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 PolarHBondContact O-N 3.26Å; L201-N205 VanDerWaalsContact O-N 3.16Å; L201-N205 PolarHBondContact O-ND2 3.09Å; H202-N205 PolarHBondContact O-N 3.02Å; N205-S209 VanDerWaalsContact O-CB 3.26Å; N205-S209 WeakPolarHBondContact O-CB 3.36Å; N205-S209 PolarHBondContact O-N 3.38Å; N205-S209 PolarHBondContact O-OG 3.46Å; N205-R219 PolarHBondContact OD1-NH2 2.86Å; N205-A223 VanDerWaalsContact ND2-CB 3.32Å; N205-A223 WeakPolarHBondContact ND2-CB 3.43Å
206	L	92.3	Very high	90	Very high	48 Å²	48	60.3 Å²	60.3	25%	0.251	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-52.1	174	-179.1	65.9	0	0	0	110.4	L195 H202 N203 L204 F208 S209 V210	L195-L206 HydrophobicContact CD2-CD2 3.64Å; H202-L206 VanDerWaalsContact O-CB 3.29Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 PolarHBondContact O-N 3.4Å; N203-L206 PolarHBondContact O-N 2.95Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.25Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 2.95Å; L206-S209 PolarHBondContact O-N 3.24Å; L206-S209 PolarHBondContact O-OG 3.34Å; L206-V210 HydrophobicContact CD1-CG2 4.08Å; L206-V210 HydrophobicContact CG-CG2 4.42Å; L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.3Å; L206-V210 PolarHBondContact O-N 2.91Å
207	A	92.6	Very high	90.1	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-47.1	178.2	0	0	0	0	0	112	F178 I182 N203 L204 V210 A211	F178-A207 HydrophobicContact CB-CB 3.68Å; I182-A207 HydrophobicContact CD1-CB 4.1Å; N203-A207 WeakPolarHBondContact O-CB 3.13Å; N203-A207 PolarHBondContact O-N 3.06Å; L204-A207 PolarHBondContact O-N 3.38Å; A207-V210 PolarHBondContact O-N 2.9Å; A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.4Å
208	F	93.5	Very high	90.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-40.2	-177.6	-58.9	-16.4	0	0	0	112.4	F178 L204 L206 A211 E212 R219 L221 A223 Y240	F178-F208 HydrophobicContact CD2-CE1 4.14Å; F178-F208 HydrophobicContact CE2-CE1 4.13Å; F178-F208 HydrophobicContact CE2-CZ 4.44Å; F178-F208 HydrophobicContact CG-CE1 4.42Å; F178-F208 HydrophobicContact CZ-CE1 4.43Å; L204-F208 HydrophobicContact CB-CE2 4.02Å; L204-F208 HydrophobicContact CB-CZ 4.13Å; L204-F208 HydrophobicContact CD2-CE1 4.15Å; L204-F208 HydrophobicContact CD2-CE2 4.38Å; L204-F208 HydrophobicContact CD2-CZ 3.69Å; L204-F208 HydrophobicContact CG-CZ 4.48Å; L204-F208 WeakPolarHBondContact O-CB 3.49Å; L204-F208 WeakPolarHBondContact O-CD1 3.38Å; L204-F208 VanDerWaalsContact O-CD2 3.3Å; L204-F208 WeakPolarHBondContact O-CD2 3.25Å; L204-F208 WeakPolarHBondContact O-CG 3.32Å; L204-F208 PolarHBondContact O-N 3.3Å; L206-F208 VanDerWaalsContact C-N 3.34Å; L206-F208 PolarHBondContact O-N 2.95Å; F208-A211 PolarHBondContact O-N 3.05Å; F208-E212 WeakPolarHBondContact O-CB 3.5Å; F208-E212 PolarHBondContact O-N 3.38Å; F208-R219 HydrophobicContact CB-CG 4.16Å; F208-L221 WeakPolarHBondContact CD2-O 3.39Å; F208-L221 HydrophobicContact CE2-CB 3.89Å; F208-L221 WeakPolarHBondContact CE2-O 3.45Å; F208-L221 HydrophobicContact CZ-CB 3.76Å; F208-L221 HydrophobicContact CZ-CD1 4.24Å; F208-A223 HydrophobicContact CE2-CB 4.36Å; F208-Y240 AromaticContact CD1-CE1 3.47Å; F208-Y240 HydrophobicContact CD1-CE1 3.47Å; F208-Y240 VanDerWaalsContact CD1-CE1 3.47Å; F208-Y240 AromaticContact CD1-CZ 3.84Å; F208-Y240 WeakPolarHBondContact CD1-OH 3.43Å; F208-Y240 HydrophobicContact CE1-CD1 4.1Å; F208-Y240 AromaticContact CE1-CE1 3.37Å; F208-Y240 HydrophobicContact CE1-CE1 3.37Å; F208-Y240 HydrophobicContact CZ-CE1 4.36Å
209	S	91.7	Very high	90.2	Very high	50 Å²	50	50.8 Å²	50.8	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-37.3	177.3	62.7	0	0	0	0	112.7	N205 L206 K213	N205-S209 VanDerWaalsContact O-CB 3.26Å; N205-S209 WeakPolarHBondContact O-CB 3.36Å; N205-S209 PolarHBondContact O-N 3.38Å; N205-S209 PolarHBondContact O-OG 3.46Å; L206-S209 PolarHBondContact O-N 3.24Å; L206-S209 PolarHBondContact O-OG 3.34Å; S209-K213 VanDerWaalsContact O-CB 3.23Å; S209-K213 WeakPolarHBondContact O-CB 3.36Å; S209-K213 PolarHBondContact O-N 2.9Å
210	V	91.9	Very high	90.1	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-43.3	174.3	168.7	0	0	0	0	110.3	I182 L189 L206 A207 K213 Y214	I182-V210 HydrophobicContact CD1-CG1 4.39Å; I182-V210 HydrophobicContact CG2-CG1 4.02Å; L189-V210 HydrophobicContact CB-CG1 3.85Å; L189-V210 HydrophobicContact CD1-CG1 4.28Å; L206-V210 HydrophobicContact CD1-CG2 4.08Å; L206-V210 HydrophobicContact CG-CG2 4.42Å; L206-V210 WeakPolarHBondContact O-CB 3.34Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.3Å; L206-V210 PolarHBondContact O-N 2.91Å; A207-V210 PolarHBondContact O-N 2.9Å; V210-K213 PolarHBondContact O-N 3.04Å; V210-Y214 HydrophobicContact CB-CD2 4.48Å; V210-Y214 HydrophobicContact CG1-CD2 4.07Å; V210-Y214 WeakPolarHBondContact O-CB 3.35Å; V210-Y214 WeakPolarHBondContact O-CD2 3.21Å; V210-Y214 PolarHBondContact O-N 3.12Å
211	A	91	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-42	179.3	0	0	0	0	0	112.9	A207 F208 L215 D216 I217 Y244	A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.4Å; F208-A211 PolarHBondContact O-N 3.05Å; A211-L215 HydrophobicContact CB-CD1 4.36Å; A211-L215 CarbonylContact O-C 3.54Å; A211-L215 VanDerWaalsContact O-CA 3.31Å; A211-L215 WeakPolarHBondContact O-CA 3.08Å; A211-L215 VanDerWaalsContact O-CB 3.29Å; A211-L215 WeakPolarHBondContact O-CB 3.35Å; A211-L215 PolarHBondContact O-N 3.12Å; A211-D216 PolarHBondContact O-N 2.62Å; A211-D216 VanDerWaalsContact O-N 3.15Å; A211-I217 CarbonylContact C-O 3.6Å; A211-I217 HydrophobicContact CB-CB 4.15Å; A211-I217 PolarHBondContact O-N 3.27Å; A211-I217 VanDerWaalsContact O-N 3.12Å; A211-Y244 HydrophobicContact CB-CE1 3.86Å; A211-Y244 WeakPolarHBondContact CB-OH 3.21Å
212	E	90.5	Very high	89.9	Confident	98 Å²	98	46.4 Å²	46.4	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-46.2	176	-176.7	173.5	-139.7	0	0	111.8	F208 I217 R219	F208-E212 WeakPolarHBondContact O-CB 3.5Å; F208-E212 PolarHBondContact O-N 3.38Å; E212-I217 WeakPolarHBondContact CA-O 3.44Å; E212-I217 PolarHBondContact N-O 3.1Å; E212-R219 HydrophobicContact CB-CG 4Å; E212-R219 HydrophobicContact CG-CG 4.4Å; E212-R219 WeakPolarHBondContact OE2-CD 3.38Å; E212-R219 WeakPolarHBondContact OE2-CG 3.25Å
213	K	89.1	Confident	89.7	Confident	150 Å²	150	41.9 Å²	41.9	65%	0.652	21%	0.205	S	C	*	.	H	α-helix	trans	-75	-37.2	-173.7	-171.5	177.6	178.6	-165.9	0	113.7	S209 V210	S209-K213 VanDerWaalsContact O-CB 3.23Å; S209-K213 WeakPolarHBondContact O-CB 3.36Å; S209-K213 PolarHBondContact O-N 2.9Å; V210-K213 PolarHBondContact O-N 3.04Å
214	Y	88.3	Confident	89.3	Confident	116 Å²	116	48.1 Å²	48.1	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-116.3	-19.6	-169.7	-58.8	-71.8	0	0	0	114.5	L189 V210	L189-Y214 HydrophobicContact CD1-CG 4.47Å; L189-Y214 HydrophobicContact CD2-CD1 4.03Å; L189-Y214 HydrophobicContact CD2-CD2 3.96Å; L189-Y214 HydrophobicContact CD2-CE2 4.47Å; L189-Y214 HydrophobicContact CD2-CG 3.7Å; V210-Y214 HydrophobicContact CB-CD2 4.48Å; V210-Y214 HydrophobicContact CG1-CD2 4.07Å; V210-Y214 WeakPolarHBondContact O-CB 3.35Å; V210-Y214 WeakPolarHBondContact O-CD2 3.21Å; V210-Y214 PolarHBondContact O-N 3.12Å
215	L	85.5	Confident	88.9	Confident	9 Å²	9	50 Å²	50	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-112.2	-1.6	-178.9	-52.7	178.4	0	0	0	113	I182 R186 L189 A211 I217 Y244 V247 F248 M251	I182-L215 HydrophobicContact CG1-CD1 4.34Å; I182-L215 HydrophobicContact CG2-CD1 4.44Å; R186-L215 HydrophobicContact CG-CD2 4.44Å; L189-L215 HydrophobicContact CD1-CD2 4.01Å; A211-L215 HydrophobicContact CB-CD1 4.36Å; A211-L215 CarbonylContact O-C 3.54Å; A211-L215 VanDerWaalsContact O-CA 3.31Å; A211-L215 WeakPolarHBondContact O-CA 3.08Å; A211-L215 VanDerWaalsContact O-CB 3.29Å; A211-L215 WeakPolarHBondContact O-CB 3.35Å; A211-L215 PolarHBondContact O-N 3.12Å; L215-I217 HydrophobicContact CB-CD1 3.95Å; L215-I217 HydrophobicContact CB-CG1 3.98Å; L215-I217 HydrophobicContact CD1-CD1 4.23Å; L215-I217 PolarHBondContact O-N 3.47Å; L215-Y244 HydrophobicContact CD1-CD1 4.28Å; L215-Y244 HydrophobicContact CD1-CE1 4.05Å; L215-V247 HydrophobicContact CB-CG1 4.35Å; L215-F248 HydrophobicContact CD1-CE1 3.82Å; L215-F248 HydrophobicContact CD1-CZ 3.67Å; L215-F248 HydrophobicContact CD2-CE1 4.07Å; L215-M251 HydrophobicContact CD2-CE 3.75Å; L215-M251 HydrophobicContact CD2-SD 4.26Å
216	D	85.4	Confident	88.4	Confident	120 Å²	120	47 Å²	47	64%	0.642	23%	0.229	S	C	*	.			trans	52.9	31.2	-174.1	-160.2	35.8	0	0	0	112.6	R45 A211	R45-D216 IonicContact NH1-OD1 2.72Å; R45-D216 PolarHBondContact NH1-OD1 2.9Å; A211-D216 PolarHBondContact O-N 2.62Å; A211-D216 VanDerWaalsContact O-N 3.15Å
217	I	88	Confident	88.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.223	C	C	.	.			trans	-95.6	113.8	174.3	-59.4	173.3	0	0	0	107.8	A211 E212 L215 M220 Y240 C243 Y244 V247	A211-I217 CarbonylContact C-O 3.6Å; A211-I217 HydrophobicContact CB-CB 4.15Å; A211-I217 PolarHBondContact O-N 3.27Å; A211-I217 VanDerWaalsContact O-N 3.12Å; E212-I217 WeakPolarHBondContact CA-O 3.44Å; E212-I217 PolarHBondContact N-O 3.1Å; L215-I217 HydrophobicContact CB-CD1 3.95Å; L215-I217 HydrophobicContact CB-CG1 3.98Å; L215-I217 HydrophobicContact CD1-CD1 4.23Å; L215-I217 PolarHBondContact O-N 3.47Å; I217-M220 HydrophobicContact CG2-CE 4.25Å; I217-Y240 HydrophobicContact CG2-CD2 4.5Å; I217-Y240 HydrophobicContact CG2-CE2 3.75Å; I217-C243 HydrophobicContact CG2-CB 4.1Å; I217-Y244 HydrophobicContact CD1-CD1 3.66Å; I217-Y244 HydrophobicContact CD1-CD2 4.27Å; I217-Y244 HydrophobicContact CD1-CE1 3.92Å; I217-Y244 HydrophobicContact CD1-CE2 4.48Å; I217-Y244 HydrophobicContact CD1-CG 3.88Å; I217-V247 HydrophobicContact CD1-CB 4.15Å; I217-V247 HydrophobicContact CD1-CG2 3.98Å; I217-V247 HydrophobicContact CG1-CB 4.47Å; I217-V247 HydrophobicContact CG1-CG2 3.79Å
218	P	86.3	Confident	87.6	Confident	40 Å²	40	52 Å²	52	26%	0.26	25%	0.252	S	S	.	.			trans	-64.5	151.3	-176	27.2	-34.4	0	0	0	111.4	M220 Y240	P218-M220 HydrophobicContact CG-CE 4.23Å; P218-M220 HydrophobicContact CG-CG 4.23Å; P218-M220 WeakPolarHBondContact O-CG 3.37Å; P218-M220 PolarHBondContact O-N 3.46Å; P218-Y240 WeakPolarHBondContact O-CE2 3.33Å
219	R	89	Confident	87	Confident	94 Å²	94	53.6 Å²	53.6	36%	0.355	26%	0.261	S	S	.	.			trans	-71.3	101.1	173.8	-63.8	-175.4	66.9	177.8	3.7	110	N205 F208 E212	N205-R219 PolarHBondContact OD1-NH2 2.86Å; F208-R219 HydrophobicContact CB-CG 4.16Å; E212-R219 HydrophobicContact CB-CG 4Å; E212-R219 HydrophobicContact CG-CG 4.4Å; E212-R219 WeakPolarHBondContact OE2-CD 3.38Å; E212-R219 WeakPolarHBondContact OE2-CG 3.25Å
220	M	87.3	Confident	86.1	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.034	28%	0.275	C	S	.	.			trans	-97.3	-19.4	179.8	-56.2	-175.4	-117	0	0	113.3	T35 A38 W39 I217 P218 T239 Y240 C243	T35-M220 WeakPolarHBondContact CA-O 3.43Å; T35-M220 HydrophobicContact CG2-CB 3.83Å; T35-M220 HydrophobicContact CG2-SD 4.45Å; T35-M220 PolarHBondContact OG1-O 2.73Å; A38-M220 HydrophobicContact CB-CB 4.05Å; A38-M220 HydrophobicContact CB-CG 3.69Å; W39-M220 HydrophobicContact CB-SD 3.87Å; I217-M220 HydrophobicContact CG2-CE 4.25Å; P218-M220 HydrophobicContact CG-CE 4.23Å; P218-M220 HydrophobicContact CG-CG 4.23Å; P218-M220 WeakPolarHBondContact O-CG 3.37Å; P218-M220 PolarHBondContact O-N 3.46Å; M220-T239 HydrophobicContact SD-CG2 4.49Å; M220-Y240 HydrophobicContact CB-CD2 3.77Å; M220-Y240 HydrophobicContact CB-CE2 4.21Å; M220-Y240 HydrophobicContact CE-CD2 3.47Å; M220-Y240 VanDerWaalsContact CE-CD2 3.47Å; M220-Y240 HydrophobicContact CE-CE2 3.93Å; M220-Y240 HydrophobicContact CG-CD2 3.96Å; M220-Y240 HydrophobicContact CG-CE2 4.25Å; M220-Y240 HydrophobicContact SD-CD2 4.09Å; M220-C243 HydrophobicContact CE-CB 3.81Å; M220-C243 WeakPolarHBondContact CE-SG 3.39Å
221	L	88.4	Confident	85.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-115.9	140.7	-178.7	-61.8	177.4	0	0	0	110.5	T35 F178 F208 V226 A236 I237 Y240	T35-L221 HydrophobicContact CG2-CD2 4.22Å; T35-L221 WeakPolarHBondContact OG1-CD2 3.42Å; F178-L221 HydrophobicContact CZ-CD1 4.2Å; F208-L221 WeakPolarHBondContact CD2-O 3.39Å; F208-L221 HydrophobicContact CE2-CB 3.89Å; F208-L221 WeakPolarHBondContact CE2-O 3.45Å; F208-L221 HydrophobicContact CZ-CB 3.76Å; F208-L221 HydrophobicContact CZ-CD1 4.24Å; L221-V226 HydrophobicContact CB-CG2 4.23Å; L221-V226 HydrophobicContact CD1-CG2 4.33Å; L221-A236 HydrophobicContact CD2-CB 3.91Å; L221-I237 HydrophobicContact CD1-CG1 4.27Å; L221-Y240 HydrophobicContact CD1-CD1 3.56Å; L221-Y240 HydrophobicContact CD1-CE1 4.39Å; L221-Y240 HydrophobicContact CD1-CG 3.84Å; L221-Y240 HydrophobicContact CG-CD1 4.14Å; L221-Y240 HydrophobicContact CG-CG 4.08Å
222	D	87	Confident	84.7	Confident	68 Å²	68	60.7 Å²	60.7	36%	0.364	30%	0.301	S	S	.	.			trans	-91.8	131.1	168.5	-74.3	-45.6	0	0	0	110	K34 E224 D225 V226	K34-D222 WeakPolarHBondContact CD-OD2 3.27Å; K34-D222 WeakPolarHBondContact CE-OD2 3.35Å; K34-D222 IonicContact NZ-OD2 3.42Å; K34-D222 PolarHBondContact NZ-OD2 2.86Å; D222-E224 PolarHBondContact O-N 2.83Å; D222-D225 HydrophobicContact CB-CB 4.18Å; D222-D225 PolarHBondContact O-N 3.21Å; D222-V226 WeakPolarHBondContact O-CG2 3.38Å; D222-V226 PolarHBondContact O-N 3.46Å; D222-V226 VanDerWaalsContact O-N 3.16Å
223	A	87.6	Confident	84.4	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-36.7	-178.1	0	0	0	0	0	111.9	L201 L204 N205 F208 V226 V227	L201-A223 HydrophobicContact CD2-CB 4.11Å; L204-A223 HydrophobicContact CB-CB 3.71Å; L204-A223 HydrophobicContact CD1-CB 4.34Å; N205-A223 VanDerWaalsContact ND2-CB 3.32Å; N205-A223 WeakPolarHBondContact ND2-CB 3.43Å; F208-A223 HydrophobicContact CE2-CB 4.36Å; A223-V226 PolarHBondContact O-N 3.44Å; A223-V227 VanDerWaalsContact O-CG2 3.3Å; A223-V227 WeakPolarHBondContact O-CG2 3.45Å; A223-V227 PolarHBondContact O-N 2.85Å; A223-V227 VanDerWaalsContact O-N 3.08Å
224	E	84.9	Confident	84.3	Confident	131 Å²	131	52.4 Å²	52.4	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-63.3	-44.1	176.8	-65.8	179.4	-174.7	0	0	112	L201 D222 V226 V227 H228	L201-E224 HydrophobicContact CD2-CG 4.09Å; D222-E224 PolarHBondContact O-N 2.83Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 2.94Å; E224-V227 PolarHBondContact O-N 2.85Å; E224-H228 WeakPolarHBondContact O-CB 3.27Å; E224-H228 PolarHBondContact O-CD2 2.82Å; E224-H228 VanDerWaalsContact O-CD2 3.28Å; E224-H228 PolarHBondContact O-N 3.03Å
225	D	82.9	Confident	84.4	Confident	39 Å²	39	50.3 Å²	50.3	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-34.9	-179.8	-69.2	-14.8	0	0	0	111	K34 D222 V229	K34-D225 IonicContact NZ-OD2 3.97Å; K34-D225 PolarHBondContact NZ-OD2 3.22Å; D222-D225 HydrophobicContact CB-CB 4.18Å; D222-D225 PolarHBondContact O-N 3.21Å; D225-V229 VanDerWaalsContact O-CB 3.29Å; D225-V229 WeakPolarHBondContact O-CB 3.35Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.26Å
226	V	84.1	Confident	84.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.6	-36	177.5	177	0	0	0	0	112.1	L204 L221 D222 A223 E224 P232	L204-V226 HydrophobicContact CD1-CB 3.97Å; L204-V226 HydrophobicContact CD1-CG1 3.84Å; L204-V226 HydrophobicContact CD2-CG1 4.25Å; L221-V226 HydrophobicContact CB-CG2 4.23Å; L221-V226 HydrophobicContact CD1-CG2 4.33Å; D222-V226 WeakPolarHBondContact O-CG2 3.38Å; D222-V226 PolarHBondContact O-N 3.46Å; D222-V226 VanDerWaalsContact O-N 3.16Å; A223-V226 PolarHBondContact O-N 3.44Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 2.94Å; V226-P232 HydrophobicContact CG1-CG 4.46Å; V226-P232 WeakPolarHBondContact O-CG 3.48Å
227	V	85.1	Confident	84.9	Confident	23 Å²	23	44.2 Å²	44.2	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-83.1	-41.4	-176.8	175.7	0	0	0	0	112.5	K173 P200 L201 L204 A223 E224	K173-V227 WeakPolarHBondContact CE-O 3.44Å; K173-V227 PolarHBondContact NZ-O 2.8Å; P200-V227 HydrophobicContact CB-CG2 3.88Å; P200-V227 HydrophobicContact CG-CG1 3.96Å; P200-V227 HydrophobicContact CG-CG2 4.12Å; L201-V227 HydrophobicContact CD2-CB 4.21Å; L201-V227 HydrophobicContact CD2-CG2 4Å; L201-V227 HydrophobicContact CG-CG2 4.24Å; L204-V227 HydrophobicContact CD1-CG2 3.46Å; L204-V227 VanDerWaalsContact CD1-CG2 3.46Å; A223-V227 VanDerWaalsContact O-CG2 3.3Å; A223-V227 WeakPolarHBondContact O-CG2 3.45Å; A223-V227 PolarHBondContact O-N 2.85Å; A223-V227 VanDerWaalsContact O-N 3.08Å; E224-V227 PolarHBondContact O-N 2.85Å
228	H	82.5	Confident	85	Confident	132 Å²	132	44.3 Å²	44.3	61%	0.611	23%	0.226	S	C	*	.	H	α-helix	trans	-86	-25.6	-171.4	-64.9	-47.4	0	0	0	113.6	E224	E224-H228 WeakPolarHBondContact O-CB 3.27Å; E224-H228 PolarHBondContact O-CD2 2.82Å; E224-H228 VanDerWaalsContact O-CD2 3.28Å; E224-H228 PolarHBondContact O-N 3.03Å
229	V	80.1	Confident	85.2	Confident	33 Å²	33	42.4 Å²	42.4	20%	0.2	21%	0.214	C	C	.	.	S	Bend	trans	-75.1	129.3	176.2	-178.3	0	0	0	0	109.4	A27 K173 D225 D231	A27-V229 HydrophobicContact CB-CG2 4.44Å; K173-V229 PolarHBondContact NZ-O 3.26Å; D225-V229 VanDerWaalsContact O-CB 3.29Å; D225-V229 WeakPolarHBondContact O-CB 3.35Å; D225-V229 WeakPolarHBondContact O-CG2 3.45Å; D225-V229 PolarHBondContact O-N 3.26Å; V229-D231 VanDerWaalsContact C-N 3.32Å; V229-D231 WeakPolarHBondContact CG1-O 3.29Å; V229-D231 PolarHBondContact O-N 3.26Å
230	P	74.1	Confident	85.4	Confident	98 Å²	98	37.9 Å²	37.9	64%	0.636	20%	0.197	S	C	*	.	S	Bend	trans	-55.2	-48.3	-179.5	-25.1	33.3	0	0	0	112	K173	K173-P230 PolarHBondContact NZ-O 3.08Å
231	D	74.5	Confident	85.7	Confident	106 Å²	106	37.6 Å²	37.6	57%	0.567	20%	0.196	S	C	*	.	S	Bend	trans	-120	95.1	176.6	-70.7	-52.5	0	0	0	110.1	V229	V229-D231 VanDerWaalsContact C-N 3.32Å; V229-D231 WeakPolarHBondContact CG1-O 3.29Å; V229-D231 PolarHBondContact O-N 3.26Å
232	P	79	Confident	85.8	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.019	20%	0.195	C	C	.	.			trans	-56.1	142.7	174.7	-25.6	35.8	0	0	0	111	H169 V226 E234 I237	H169-P232 VanDerWaalsContact CB-O 3.25Å; H169-P232 WeakPolarHBondContact CB-O 3.42Å; V226-P232 HydrophobicContact CG1-CG 4.46Å; V226-P232 WeakPolarHBondContact O-CG 3.48Å; P232-E234 PolarHBondContact O-N 3.04Å; P232-I237 HydrophobicContact CB-CD1 3.63Å
233	C	82.8	Confident	86	Confident	13 Å²	13	35.1 Å²	35.1	9%	0.088	18%	0.184	C	C	.	.			trans	-62	116.7	-175.1	-175.2	0	0	0	0	111.8	Q31 Q32 K235 A236 I237	Q31-C233 HydrophobicContact CG-CB 4.48Å; Q31-C233 VanDerWaalsContact OE1-CB 3.28Å; Q32-C233 HydrophobicContact CG-CB 4.49Å; Q32-C233 WeakPolarHBondContact CG-SG 3.36Å; Q32-C233 PolarHBondContact NE2-SG 2.99Å; C233-K235 VanDerWaalsContact C-N 3.33Å; C233-K235 PolarHBondContact O-N 3.26Å; C233-A236 HydrophobicContact CB-CB 3.96Å; C233-A236 WeakPolarHBondContact O-CB 2.97Å; C233-A236 PolarHBondContact O-N 3.47Å; C233-A236 VanDerWaalsContact O-N 3.07Å; C233-I237 PolarHBondContact O-N 2.93Å
234	E	88	Confident	86.1	Confident	61 Å²	61	34.9 Å²	34.9	29%	0.285	18%	0.182	S	C	.	.	H	α-helix	trans	-55.9	-47.6	-177	-166.2	-172	-157.7	0	0	111.8	K146 F168 P232 A236 I237 I238	K146-E234 WeakPolarHBondContact CE-OE1 3.12Å; K146-E234 IonicContact NZ-OE1 2.84Å; K146-E234 PolarHBondContact NZ-OE1 3.18Å; K146-E234 IonicContact NZ-OE2 3.58Å; K146-E234 PolarHBondContact NZ-OE2 2.83Å; F168-E234 HydrophobicContact CB-CG 3.68Å; F168-E234 WeakPolarHBondContact O-CA 3.41Å; P232-E234 PolarHBondContact O-N 3.04Å; E234-A236 VanDerWaalsContact C-N 3.26Å; E234-A236 PolarHBondContact O-N 3.31Å; E234-I237 PolarHBondContact O-N 2.71Å; E234-I238 HydrophobicContact CG-CD1 3.79Å; E234-I238 HydrophobicContact CG-CG1 4.26Å; E234-I238 VanDerWaalsContact O-CG1 3.3Å; E234-I238 WeakPolarHBondContact O-CG1 3.33Å; E234-I238 PolarHBondContact O-N 3.15Å
235	K	89.2	Confident	86.4	Confident	72 Å²	72	30.2 Å²	30.2	31%	0.313	16%	0.159	S	C	.	.	H	α-helix	trans	-58.2	-38.5	179.4	-65.5	-176.5	176.2	177.8	0	112.1	F36 W127 C233 T239	F36-K235 HydrophobicContact CZ-CB 4.18Å; W127-K235 HydrophobicContact CB-CD 4.49Å; W127-K235 HydrophobicContact CD2-CB 4.18Å; W127-K235 HydrophobicContact CD2-CD 3.56Å; W127-K235 HydrophobicContact CD2-CG 3.83Å; W127-K235 HydrophobicContact CE3-CB 3.71Å; W127-K235 HydrophobicContact CE3-CD 4Å; W127-K235 HydrophobicContact CE3-CG 3.88Å; W127-K235 HydrophobicContact CG-CD 3.76Å; W127-K235 HydrophobicContact CH2-CB 4.03Å; W127-K235 HydrophobicContact CH2-CG 3.87Å; W127-K235 HydrophobicContact CZ2-CB 4.47Å; W127-K235 HydrophobicContact CZ2-CD 4.29Å; W127-K235 HydrophobicContact CZ2-CG 3.83Å; W127-K235 HydrophobicContact CZ3-CB 3.63Å; W127-K235 HydrophobicContact CZ3-CG 3.9Å; C233-K235 VanDerWaalsContact C-N 3.33Å; C233-K235 PolarHBondContact O-N 3.26Å; K235-T239 WeakPolarHBondContact O-CB 3.28Å; K235-T239 PolarHBondContact O-N 3.33Å; K235-T239 VanDerWaalsContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 2.89Å
236	A	89.7	Confident	86.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-42.7	180	0	0	0	0	0	111.8	Q31 T35 L221 C233 E234 Y240	Q31-A236 HydrophobicContact CG-CB 4.19Å; T35-A236 HydrophobicContact CG2-CB 4.09Å; T35-A236 WeakPolarHBondContact OG1-CB 3.3Å; L221-A236 HydrophobicContact CD2-CB 3.91Å; C233-A236 HydrophobicContact CB-CB 3.96Å; C233-A236 WeakPolarHBondContact O-CB 2.97Å; C233-A236 PolarHBondContact O-N 3.47Å; C233-A236 VanDerWaalsContact O-N 3.07Å; E234-A236 VanDerWaalsContact C-N 3.26Å; E234-A236 PolarHBondContact O-N 3.31Å; A236-Y240 PolarHBondContact O-N 3.46Å; A236-Y240 VanDerWaalsContact O-N 3.1Å
237	I	91.4	Very high	86.6	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.4	-43.8	177.5	-69.4	166.5	0	0	0	110.8	F168 W172 L221 P232 C233 E234 T239 Y240 V241	F168-I237 HydrophobicContact CB-CG2 4.17Å; F168-I237 HydrophobicContact CD1-CG2 4.24Å; F168-I237 WeakPolarHBondContact O-CB 3.29Å; F168-I237 WeakPolarHBondContact O-CD1 3.5Å; F168-I237 WeakPolarHBondContact O-CG2 3.37Å; W172-I237 HydrophobicContact CB-CD1 4.34Å; W172-I237 HydrophobicContact CB-CG2 4.39Å; W172-I237 HydrophobicContact CD2-CG2 4.15Å; W172-I237 HydrophobicContact CG-CG2 3.87Å; L221-I237 HydrophobicContact CD1-CG1 4.27Å; P232-I237 HydrophobicContact CB-CD1 3.63Å; C233-I237 PolarHBondContact O-N 2.93Å; E234-I237 PolarHBondContact O-N 2.71Å; I237-T239 VanDerWaalsContact C-N 3.31Å; I237-T239 PolarHBondContact O-N 3.44Å; I237-Y240 PolarHBondContact O-N 2.74Å; I237-Y240 VanDerWaalsContact O-N 3.11Å; I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CB 3.23Å; I237-V241 VanDerWaalsContact O-CG2 3.26Å; I237-V241 WeakPolarHBondContact O-CG2 3.1Å; I237-V241 PolarHBondContact O-N 3.22Å
238	I	91	Very high	86.6	Confident	4 Å²	4	33 Å²	33	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-47.4	176.7	-66.6	171.7	0	0	0	110.3	W127 I135 K146 L149 F168 E234 Y240 V241 S242	W127-I238 HydrophobicContact CH2-CB 4.25Å; W127-I238 HydrophobicContact CH2-CD1 4.22Å; W127-I238 HydrophobicContact CH2-CG2 4.17Å; I135-I238 HydrophobicContact CD1-CG2 3.4Å; I135-I238 VanDerWaalsContact CD1-CG2 3.4Å; I135-I238 HydrophobicContact CG1-CG2 4.17Å; K146-I238 HydrophobicContact CD-CD1 4.19Å; K146-I238 HydrophobicContact CG-CD1 4.26Å; L149-I238 HydrophobicContact CD2-CG2 4.17Å; F168-I238 HydrophobicContact CB-CD1 4.13Å; F168-I238 HydrophobicContact CB-CG1 3.46Å; F168-I238 VanDerWaalsContact CB-CG1 3.46Å; F168-I238 HydrophobicContact CD1-CG1 3.96Å; F168-I238 HydrophobicContact CD2-CD1 3.89Å; F168-I238 HydrophobicContact CD2-CG1 3.54Å; F168-I238 HydrophobicContact CE2-CG1 4.18Å; F168-I238 HydrophobicContact CG-CD1 4.18Å; F168-I238 HydrophobicContact CG-CG1 3.4Å; E234-I238 HydrophobicContact CG-CD1 3.79Å; E234-I238 HydrophobicContact CG-CG1 4.26Å; E234-I238 VanDerWaalsContact O-CG1 3.3Å; E234-I238 WeakPolarHBondContact O-CG1 3.33Å; E234-I238 PolarHBondContact O-N 3.15Å; I238-Y240 VanDerWaalsContact C-N 3.3Å; I238-Y240 PolarHBondContact O-N 3.06Å; I238-V241 PolarHBondContact O-N 3.48Å; I238-S242 WeakPolarHBondContact O-CB 3Å; I238-S242 PolarHBondContact O-N 3.48Å; I238-S242 PolarHBondContact O-OG 2.82Å
239	T	91.2	Very high	86.5	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-41.5	177.1	-59	0	0	0	0	111.9	T35 W39 I130 M220 K235 I237 S242 C243	T35-T239 HydrophobicContact CG2-CG2 4.36Å; W39-T239 HydrophobicContact CB-CG2 4.06Å; W39-T239 HydrophobicContact CG-CG2 3.8Å; I130-T239 HydrophobicContact CD1-CG2 3.97Å; I130-T239 HydrophobicContact CG2-CG2 4.1Å; M220-T239 HydrophobicContact SD-CG2 4.49Å; K235-T239 WeakPolarHBondContact O-CB 3.28Å; K235-T239 PolarHBondContact O-N 3.33Å; K235-T239 VanDerWaalsContact O-N 3.07Å; K235-T239 PolarHBondContact O-OG1 2.89Å; I237-T239 VanDerWaalsContact C-N 3.31Å; I237-T239 PolarHBondContact O-N 3.44Å; T239-S242 PolarHBondContact O-OG 3.49Å; T239-C243 PolarHBondContact O-N 3.25Å; T239-C243 PolarHBondContact O-SG 3.48Å
240	Y	93.2	Very high	86.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-43.3	-179.7	-165.7	-124.8	0	0	0	112.1	F178 F208 I217 P218 M220 L221 A236 I237 I238 C243 Y244	F178-Y240 HydrophobicContact CD1-CD1 4.31Å; F178-Y240 HydrophobicContact CD1-CE1 4.32Å; F178-Y240 AromaticContact CE1-CD1 3.53Å; F178-Y240 HydrophobicContact CE1-CD1 3.53Å; F178-Y240 AromaticContact CE1-CE1 3.97Å; F178-Y240 HydrophobicContact CE1-CE1 3.97Å; F178-Y240 AromaticContact CZ-CD1 3.85Å; F178-Y240 HydrophobicContact CZ-CD1 3.85Å; F178-Y240 HydrophobicContact CZ-CE1 4.42Å; F208-Y240 AromaticContact CD1-CE1 3.47Å; F208-Y240 HydrophobicContact CD1-CE1 3.47Å; F208-Y240 VanDerWaalsContact CD1-CE1 3.47Å; F208-Y240 AromaticContact CD1-CZ 3.84Å; F208-Y240 WeakPolarHBondContact CD1-OH 3.43Å; F208-Y240 HydrophobicContact CE1-CD1 4.1Å; F208-Y240 AromaticContact CE1-CE1 3.37Å; F208-Y240 HydrophobicContact CE1-CE1 3.37Å; F208-Y240 HydrophobicContact CZ-CE1 4.36Å; I217-Y240 HydrophobicContact CG2-CD2 4.5Å; I217-Y240 HydrophobicContact CG2-CE2 3.75Å; P218-Y240 WeakPolarHBondContact O-CE2 3.33Å; M220-Y240 HydrophobicContact CB-CD2 3.77Å; M220-Y240 HydrophobicContact CB-CE2 4.21Å; M220-Y240 HydrophobicContact CE-CD2 3.47Å; M220-Y240 VanDerWaalsContact CE-CD2 3.47Å; M220-Y240 HydrophobicContact CE-CE2 3.93Å; M220-Y240 HydrophobicContact CG-CD2 3.96Å; M220-Y240 HydrophobicContact CG-CE2 4.25Å; M220-Y240 HydrophobicContact SD-CD2 4.09Å; L221-Y240 HydrophobicContact CD1-CD1 3.56Å; L221-Y240 HydrophobicContact CD1-CE1 4.39Å; L221-Y240 HydrophobicContact CD1-CG 3.84Å; L221-Y240 HydrophobicContact CG-CD1 4.14Å; L221-Y240 HydrophobicContact CG-CG 4.08Å; A236-Y240 PolarHBondContact O-N 3.46Å; A236-Y240 VanDerWaalsContact O-N 3.1Å; I237-Y240 PolarHBondContact O-N 2.74Å; I237-Y240 VanDerWaalsContact O-N 3.11Å; I238-Y240 VanDerWaalsContact C-N 3.3Å; I238-Y240 PolarHBondContact O-N 3.06Å; Y240-C243 WeakPolarHBondContact O-CB 3.37Å; Y240-C243 PolarHBondContact O-N 2.97Å; Y240-Y244 AromaticContact CD1-CE2 3.89Å; Y240-Y244 HydrophobicContact CD1-CE2 3.89Å; Y240-Y244 AromaticContact CE1-CE2 3.46Å; Y240-Y244 HydrophobicContact CE1-CE2 3.46Å; Y240-Y244 VanDerWaalsContact CE1-CE2 3.46Å; Y240-Y244 HydrophobicContact CE2-CE2 4.34Å; Y240-Y244 HydrophobicContact CG-CE2 4.49Å; Y240-Y244 AromaticContact CZ-CE2 3.7Å; Y240-Y244 WeakPolarHBondContact O-CD2 3.49Å; Y240-Y244 PolarHBondContact O-N 3.28Å; Y240-Y244 PolarHBondContact OH-OH 3.44Å
241	V	92.9	Very high	86	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-35.2	179.1	175.8	0	0	0	0	111.7	L149 C153 F168 W172 F178 I237 I238 C243 Y244 Y245	L149-V241 HydrophobicContact CD1-CG1 4.29Å; L149-V241 HydrophobicContact CD2-CG1 4.43Å; L149-V241 HydrophobicContact CG-CG1 4.41Å; C153-V241 VanDerWaalsContact SG-CG1 3.52Å; F168-V241 HydrophobicContact CE1-CB 4.39Å; F168-V241 HydrophobicContact CE1-CG1 4.11Å; W172-V241 HydrophobicContact CD2-CG2 4.31Å; W172-V241 HydrophobicContact CE3-CG2 4.11Å; W172-V241 HydrophobicContact CH2-CB 4.32Å; W172-V241 HydrophobicContact CH2-CG1 3.8Å; W172-V241 HydrophobicContact CH2-CG2 3.45Å; W172-V241 VanDerWaalsContact CH2-CG2 3.45Å; W172-V241 HydrophobicContact CZ2-CG1 4.11Å; W172-V241 HydrophobicContact CZ2-CG2 3.71Å; W172-V241 HydrophobicContact CZ3-CG2 3.69Å; F178-V241 HydrophobicContact CE1-CG2 3.74Å; F178-V241 HydrophobicContact CZ-CG2 4.27Å; I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CB 3.23Å; I237-V241 VanDerWaalsContact O-CG2 3.26Å; I237-V241 WeakPolarHBondContact O-CG2 3.1Å; I237-V241 PolarHBondContact O-N 3.22Å; I238-V241 PolarHBondContact O-N 3.48Å; V241-C243 VanDerWaalsContact C-N 3.26Å; V241-C243 PolarHBondContact O-N 3.29Å; V241-Y244 WeakPolarHBondContact O-CB 3.47Å; V241-Y244 PolarHBondContact O-N 3.06Å; V241-Y244 VanDerWaalsContact O-N 3.11Å; V241-Y245 PolarHBondContact O-N 3.47Å
242	S	90.4	Very high	85.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-32.7	175.3	73	0	0	0	0	111.9	I238 T239 Y245 H246	I238-S242 WeakPolarHBondContact O-CB 3Å; I238-S242 PolarHBondContact O-N 3.48Å; I238-S242 PolarHBondContact O-OG 2.82Å; T239-S242 PolarHBondContact O-OG 3.49Å; S242-Y245 WeakPolarHBondContact O-CB 3.36Å; S242-Y245 PolarHBondContact O-N 2.99Å; S242-H246 PolarHBondContact O-CD2 3.23Å; S242-H246 PolarHBondContact O-N 2.72Å
243	C	90.6	Very high	84.2	Confident	18 Å²	18	29.7 Å²	29.7	12%	0.122	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-40.7	171.9	-68.3	0	0	0	0	112.5	I217 M220 T239 Y240 V241 Y245 H246 V247	I217-C243 HydrophobicContact CG2-CB 4.1Å; M220-C243 HydrophobicContact CE-CB 3.81Å; M220-C243 WeakPolarHBondContact CE-SG 3.39Å; T239-C243 PolarHBondContact O-N 3.25Å; T239-C243 PolarHBondContact O-SG 3.48Å; Y240-C243 WeakPolarHBondContact O-CB 3.37Å; Y240-C243 PolarHBondContact O-N 2.97Å; V241-C243 VanDerWaalsContact C-N 3.26Å; V241-C243 PolarHBondContact O-N 3.29Å; C243-Y245 VanDerWaalsContact C-N 3.33Å; C243-H246 PolarHBondContact O-N 2.67Å; C243-V247 WeakPolarHBondContact O-CG2 3.48Å; C243-V247 PolarHBondContact O-N 2.97Å
244	Y	91.5	Very high	82.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-43	171.9	-77.1	-88.6	0	0	0	111.8	F178 I182 A211 L215 I217 Y240 V241 V247 F248	F178-Y244 HydrophobicContact CD1-CE2 4.05Å; F178-Y244 HydrophobicContact CE1-CE2 4.33Å; I182-Y244 HydrophobicContact CD1-CE1 3.79Å; I182-Y244 HydrophobicContact CG1-CD1 4.23Å; I182-Y244 HydrophobicContact CG1-CE1 3.55Å; A211-Y244 HydrophobicContact CB-CE1 3.86Å; A211-Y244 WeakPolarHBondContact CB-OH 3.21Å; L215-Y244 HydrophobicContact CD1-CD1 4.28Å; L215-Y244 HydrophobicContact CD1-CE1 4.05Å; I217-Y244 HydrophobicContact CD1-CD1 3.66Å; I217-Y244 HydrophobicContact CD1-CD2 4.27Å; I217-Y244 HydrophobicContact CD1-CE1 3.92Å; I217-Y244 HydrophobicContact CD1-CE2 4.48Å; I217-Y244 HydrophobicContact CD1-CG 3.88Å; Y240-Y244 AromaticContact CD1-CE2 3.89Å; Y240-Y244 HydrophobicContact CD1-CE2 3.89Å; Y240-Y244 AromaticContact CE1-CE2 3.46Å; Y240-Y244 HydrophobicContact CE1-CE2 3.46Å; Y240-Y244 VanDerWaalsContact CE1-CE2 3.46Å; Y240-Y244 HydrophobicContact CE2-CE2 4.34Å; Y240-Y244 HydrophobicContact CG-CE2 4.49Å; Y240-Y244 AromaticContact CZ-CE2 3.7Å; Y240-Y244 WeakPolarHBondContact O-CD2 3.49Å; Y240-Y244 PolarHBondContact O-N 3.28Å; Y240-Y244 PolarHBondContact OH-OH 3.44Å; V241-Y244 WeakPolarHBondContact O-CB 3.47Å; V241-Y244 PolarHBondContact O-N 3.06Å; V241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-V247 PolarHBondContact O-N 2.79Å; Y244-F248 HydrophobicContact CD1-CD2 4.47Å; Y244-F248 AromaticContact CD1-CE2 3.59Å; Y244-F248 HydrophobicContact CD1-CE2 3.59Å; Y244-F248 AromaticContact CD1-CZ 3.91Å; Y244-F248 HydrophobicContact CD1-CZ 3.91Å; Y244-F248 HydrophobicContact CG-CE2 4.3Å; Y244-F248 WeakPolarHBondContact O-CB 3.32Å; Y244-F248 WeakPolarHBondContact O-CD2 3.32Å; Y244-F248 WeakPolarHBondContact O-CG 3.5Å; Y244-F248 PolarHBondContact O-N 3.1Å
245	Y	89.8	Confident	80.4	Confident	32 Å²	32	36.8 Å²	36.8	13%	0.125	19%	0.194	C	C	.	.	H	α-helix	trans	-56.1	-53	177	176	-95	0	0	0	110.9	I138 I140 L149 W152 V241 S242 C243 V247 F248 C249	I138-Y245 HydrophobicContact CB-CE1 4.31Å; I138-Y245 HydrophobicContact CD1-CD1 3.58Å; I138-Y245 HydrophobicContact CD1-CE1 3.85Å; I138-Y245 HydrophobicContact CD1-CG 4.15Å; I138-Y245 HydrophobicContact CG1-CD1 3.92Å; I138-Y245 HydrophobicContact CG1-CE1 3.63Å; I138-Y245 HydrophobicContact CG2-CE1 3.92Å; I138-Y245 HydrophobicContact CG2-CE2 4.12Å; I140-Y245 HydrophobicContact CD1-CE2 3.94Å; L149-Y245 HydrophobicContact CD1-CD2 4.04Å; L149-Y245 HydrophobicContact CD1-CG 3.91Å; W152-Y245 AromaticContact CD1-CD2 3.9Å; W152-Y245 AromaticContact CD1-CE2 3.72Å; W152-Y245 AromaticContact CD2-CD2 3.61Å; W152-Y245 HydrophobicContact CD2-CD2 3.61Å; W152-Y245 HydrophobicContact CD2-CE2 4.21Å; W152-Y245 AromaticContact CE2-CD2 3.62Å; W152-Y245 HydrophobicContact CE3-CD2 4.04Å; W152-Y245 AromaticContact CG-CD2 3.82Å; W152-Y245 HydrophobicContact CG-CD2 3.82Å; W152-Y245 AromaticContact CG-CE2 3.96Å; W152-Y245 HydrophobicContact CG-CE2 3.96Å; W152-Y245 HydrophobicContact CZ2-CD2 4.1Å; W152-Y245 HydrophobicContact CZ3-CD2 4.47Å; W152-Y245 AromaticContact NE1-CD2 3.76Å; W152-Y245 AromaticContact NE1-CE2 3.82Å; V241-Y245 PolarHBondContact O-N 3.47Å; S242-Y245 WeakPolarHBondContact O-CB 3.36Å; S242-Y245 PolarHBondContact O-N 2.99Å; C243-Y245 VanDerWaalsContact C-N 3.33Å; Y245-V247 PolarHBondContact O-N 2.94Å; Y245-F248 PolarHBondContact O-N 3.37Å; Y245-C249 WeakPolarHBondContact CE2-SG 3.44Å; Y245-C249 VanDerWaalsContact O-CB 3.23Å; Y245-C249 WeakPolarHBondContact O-CB 3.36Å; Y245-C249 PolarHBondContact O-N 3.03Å; Y245-C249 PolarHBondContact O-SG 3.43Å; Y245-C249 VanDerWaalsContact O-SG 3.37Å
246	H	85.5	Confident	78.2	Confident	83 Å²	83	41.4 Å²	41.4	38%	0.384	21%	0.21	S	C	.	.	H	α-helix	trans	-61.5	-42.4	-179.4	-73.3	-53.9	0	0	0	113	A134 S242 C243 A250	A134-H246 PolarHBondContact O-NE2 2.64Å; S242-H246 PolarHBondContact O-CD2 3.23Å; S242-H246 PolarHBondContact O-N 2.72Å; C243-H246 PolarHBondContact O-N 2.67Å; H246-A250 WeakPolarHBondContact O-CB 3.47Å; H246-A250 PolarHBondContact O-N 2.8Å
247	V	85.5	Confident	75.8	Confident	37 Å²	37	44.4 Å²	44.4	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-46.9	177.5	171.5	0	0	0	0	111.2	L215 I217 C243 Y244 Y245 A250 M251	L215-V247 HydrophobicContact CB-CG1 4.35Å; I217-V247 HydrophobicContact CD1-CB 4.15Å; I217-V247 HydrophobicContact CD1-CG2 3.98Å; I217-V247 HydrophobicContact CG1-CB 4.47Å; I217-V247 HydrophobicContact CG1-CG2 3.79Å; C243-V247 WeakPolarHBondContact O-CG2 3.48Å; C243-V247 PolarHBondContact O-N 2.97Å; Y244-V247 PolarHBondContact O-N 2.79Å; Y245-V247 PolarHBondContact O-N 2.94Å; V247-A250 PolarHBondContact O-N 3.2Å; V247-M251 HydrophobicContact CG1-CE 3.62Å; V247-M251 HydrophobicContact CG1-CG 4.4Å; V247-M251 HydrophobicContact CG1-SD 4.05Å; V247-M251 WeakPolarHBondContact O-CB 3.38Å; V247-M251 VanDerWaalsContact O-CG 3.28Å; V247-M251 WeakPolarHBondContact O-CG 3.5Å; V247-M251 PolarHBondContact O-N 2.89Å
248	F	86.9	Confident	73.5	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-72.6	-32.8	-178.8	-67.1	-40.8	0	0	0	113.3	W152 I182 H185 R186 L215 Y244 Y245 M251 Q252	W152-F248 AromaticContact CH2-CD2 3.96Å; W152-F248 HydrophobicContact CH2-CD2 3.96Å; W152-F248 HydrophobicContact CZ2-CB 4.34Å; W152-F248 HydrophobicContact CZ2-CD2 4.23Å; I182-F248 HydrophobicContact CG1-CZ 4.35Å; H185-F248 HydrophobicContact CB-CD1 3.59Å; H185-F248 HydrophobicContact CB-CD2 4.31Å; H185-F248 HydrophobicContact CB-CE1 3.65Å; H185-F248 HydrophobicContact CB-CE2 4.33Å; H185-F248 HydrophobicContact CB-CG 3.96Å; H185-F248 HydrophobicContact CB-CZ 4.03Å; H185-F248 AromaticContact CD2-CG 3.86Å; H185-F248 AromaticContact CE1-CD2 3.83Å; H185-F248 AromaticContact CG-CD1 3.8Å; H185-F248 AromaticContact CG-CD2 3.79Å; H185-F248 AromaticContact CG-CG 3.61Å; H185-F248 AromaticContact ND1-CD2 3.5Å; H185-F248 AromaticContact ND1-CE2 3.75Å; H185-F248 AromaticContact ND1-CG 3.82Å; R186-F248 HydrophobicContact CG-CE1 4.42Å; L215-F248 HydrophobicContact CD1-CE1 3.82Å; L215-F248 HydrophobicContact CD1-CZ 3.67Å; L215-F248 HydrophobicContact CD2-CE1 4.07Å; Y244-F248 HydrophobicContact CD1-CD2 4.47Å; Y244-F248 AromaticContact CD1-CE2 3.59Å; Y244-F248 HydrophobicContact CD1-CE2 3.59Å; Y244-F248 AromaticContact CD1-CZ 3.91Å; Y244-F248 HydrophobicContact CD1-CZ 3.91Å; Y244-F248 HydrophobicContact CG-CE2 4.3Å; Y244-F248 WeakPolarHBondContact O-CB 3.32Å; Y244-F248 WeakPolarHBondContact O-CD2 3.32Å; Y244-F248 WeakPolarHBondContact O-CG 3.5Å; Y244-F248 PolarHBondContact O-N 3.1Å; Y245-F248 PolarHBondContact O-N 3.37Å; F248-M251 HydrophobicContact CD1-SD 4.09Å; F248-M251 HydrophobicContact CE1-SD 4.45Å; F248-M251 PolarHBondContact O-N 2.89Å; F248-Q252 WeakPolarHBondContact O-CB 3.38Å; F248-Q252 VanDerWaalsContact O-CG 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.44Å; F248-Q252 PolarHBondContact O-N 3.28Å
249	C	79.9	Confident	70.8	Confident	27 Å²	27	60.8 Å²	60.8	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-43.5	169.5	-76.3	0	0	0	0	110.8	Y245 M251 Q252 K253	Y245-C249 WeakPolarHBondContact CE2-SG 3.44Å; Y245-C249 VanDerWaalsContact O-CB 3.23Å; Y245-C249 WeakPolarHBondContact O-CB 3.36Å; Y245-C249 PolarHBondContact O-N 3.03Å; Y245-C249 PolarHBondContact O-SG 3.43Å; Y245-C249 VanDerWaalsContact O-SG 3.37Å; C249-M251 VanDerWaalsContact C-N 3.34Å; C249-M251 PolarHBondContact O-N 3.34Å; C249-Q252 PolarHBondContact O-N 3.28Å; C249-K253 WeakPolarHBondContact O-CG 3.48Å; C249-K253 PolarHBondContact O-N 3.01Å
250	A	73.5	Confident	68	Low	49 Å²	49	69.9 Å²	69.9	41%	0.405	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-39.8	173.4	0	0	0	0	0	112.1	H246 V247 K253 V254	H246-A250 WeakPolarHBondContact O-CB 3.47Å; H246-A250 PolarHBondContact O-N 2.8Å; V247-A250 PolarHBondContact O-N 3.2Å; A250-K253 WeakPolarHBondContact O-CA 3.45Å; A250-K253 WeakPolarHBondContact O-CB 3.47Å; A250-K253 PolarHBondContact O-N 3.41Å; A250-V254 WeakPolarHBondContact O-CG2 3.36Å; A250-V254 PolarHBondContact O-N 3.44Å
251	M	69.5	Low	65.3	Low	51 Å²	51	75.3 Å²	75.3	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-40.2	175.6	-73.6	-179.3	177.3	0	0	112.5	L215 V247 F248 C249 K253 V254 D255	L215-M251 HydrophobicContact CD2-CE 3.75Å; L215-M251 HydrophobicContact CD2-SD 4.26Å; V247-M251 HydrophobicContact CG1-CE 3.62Å; V247-M251 HydrophobicContact CG1-CG 4.4Å; V247-M251 HydrophobicContact CG1-SD 4.05Å; V247-M251 WeakPolarHBondContact O-CB 3.38Å; V247-M251 VanDerWaalsContact O-CG 3.28Å; V247-M251 WeakPolarHBondContact O-CG 3.5Å; V247-M251 PolarHBondContact O-N 2.89Å; F248-M251 HydrophobicContact CD1-SD 4.09Å; F248-M251 HydrophobicContact CE1-SD 4.45Å; F248-M251 PolarHBondContact O-N 2.89Å; C249-M251 VanDerWaalsContact C-N 3.34Å; C249-M251 PolarHBondContact O-N 3.34Å; M251-K253 PolarHBondContact O-N 2.92Å; M251-V254 CarbonylContact O-C 3.5Å; M251-V254 WeakPolarHBondContact O-CA 3.28Å; M251-V254 PolarHBondContact O-N 3.37Å; M251-D255 PolarHBondContact O-N 3.19Å
252	Q	64.2	Low	63	Low	80 Å²	80	79.3 Å²	79.3	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-31	172.5	-76	172	24.6	0	0	111.8	H185 F248 C249	H185-Q252 PolarHBondContact CD2-NE2 3.04Å; H185-Q252 PolarHBondContact NE2-NE2 3.01Å; F248-Q252 WeakPolarHBondContact O-CB 3.38Å; F248-Q252 VanDerWaalsContact O-CG 3.31Å; F248-Q252 WeakPolarHBondContact O-CG 3.44Å; F248-Q252 PolarHBondContact O-N 3.28Å; C249-Q252 PolarHBondContact O-N 3.28Å
253	K	52.6	Low	60.6	Low	96 Å²	96	84.1 Å²	84.1	42%	0.417	42%	0.418	S	S	.	.	H	α-helix	trans	-68.7	-36.3	169	-66.2	175.8	-179.4	-172.8	0	111.9	C249 A250 M251 N257	C249-K253 WeakPolarHBondContact O-CG 3.48Å; C249-K253 PolarHBondContact O-N 3.01Å; A250-K253 WeakPolarHBondContact O-CA 3.45Å; A250-K253 WeakPolarHBondContact O-CB 3.47Å; A250-K253 PolarHBondContact O-N 3.41Å; M251-K253 PolarHBondContact O-N 2.92Å; K253-N257 PolarHBondContact O-N 3.38Å
254	V	46.7	Very low	58.3	Low	91 Å²	91	85.2 Å²	85.2	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-73.5	-39.8	179.7	174.9	0	0	0	0	113.2	A250 M251 R256 N257	A250-V254 WeakPolarHBondContact O-CG2 3.36Å; A250-V254 PolarHBondContact O-N 3.44Å; M251-V254 CarbonylContact O-C 3.5Å; M251-V254 WeakPolarHBondContact O-CA 3.28Å; M251-V254 PolarHBondContact O-N 3.37Å; V254-R256 PolarHBondContact O-N 3.01Å; V254-N257 WeakPolarHBondContact O-CA 3.49Å; V254-N257 WeakPolarHBondContact O-CB 3.45Å; V254-N257 PolarHBondContact O-N 2.89Å
255	D	43.3	Very low	55.9	Low	131 Å²	131	92.7 Å²	92.7	70%	0.701	46%	0.461	S	S	*	.	H	α-helix	trans	-68.1	-23.7	176.3	-83.2	-29.8	0	0	0	112.5	M251	M251-D255 PolarHBondContact O-N 3.19Å
256	R	43.5	Very low	53.6	Low	169 Å²	169	93.8 Å²	93.8	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-75.2	-26.6	165.1	-72.5	-174.2	177.3	-173.3	0.6	112.6	V254 I258 Y259	V254-R256 PolarHBondContact O-N 3.01Å; R256-I258 PolarHBondContact O-N 3.42Å; R256-Y259 CarbonylContact O-C 3.52Å; R256-Y259 VanDerWaalsContact O-C 3.29Å; R256-Y259 WeakPolarHBondContact O-CA 3.38Å; R256-Y259 PolarHBondContact O-N 3.18Å
257	N	38.3	Very low	51.7	Low	63 Å²	63	92.8 Å²	92.8	34%	0.337	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-82.5	4.6	-175.8	-85	-9.3	0	0	0	116.5	K253 V254 Y259 R260 P261	K253-N257 PolarHBondContact O-N 3.38Å; V254-N257 WeakPolarHBondContact O-CA 3.49Å; V254-N257 WeakPolarHBondContact O-CB 3.45Å; V254-N257 PolarHBondContact O-N 2.89Å; N257-Y259 PolarHBondContact O-N 3.03Å; N257-R260 PolarHBondContact OD1-O 3.42Å; N257-P261 VanDerWaalsContact OD1-CA 3.28Å; N257-P261 WeakPolarHBondContact OD1-CA 3.33Å
258	I	43.3	Very low	50.2	Low	142 Å²	142	95.7 Å²	95.7	73%	0.728	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.5	155.5	-63.8	177.7	0	0	0	110.1	R256	R256-I258 PolarHBondContact O-N 3.42Å
259	Y	34.6	Very low	48.9	Very low	207 Å²	207	100.9 Å²	100.9	81%	0.812	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-125.7	91.7	160.2	-82	-95.1	0	0	0	111.2	R256 N257	R256-Y259 CarbonylContact O-C 3.52Å; R256-Y259 VanDerWaalsContact O-C 3.29Å; R256-Y259 WeakPolarHBondContact O-CA 3.38Å; R256-Y259 PolarHBondContact O-N 3.18Å; N257-Y259 PolarHBondContact O-N 3.03Å
260	R	33.1	Very low	48	Very low	190 Å²	190	100 Å²	100	72%	0.717	50%	0.499	S	S	*	.			trans	78.1	108.2	153.7	-144.5	-179.1	-149.9	-160.3	4.7	117.7	N257 C262	N257-R260 PolarHBondContact OD1-O 3.42Å; R260-C262 PolarHBondContact O-N 3.1Å
261	P	35.1	Very low	47.6	Very low	114 Å²	114	103.5 Å²	103.5	74%	0.74	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	13.7	-179.3	-20	32.3	0	0	0	118.8	N257	N257-P261 VanDerWaalsContact OD1-CA 3.28Å; N257-P261 WeakPolarHBondContact OD1-CA 3.33Å
262	C	44.6	Very low	47.5	Very low	85 Å²	85	105 Å²	105	57%	0.574	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-2.4	-169.1	-163	0	0	0	0	114	R260	R260-C262 PolarHBondContact O-N 3.1Å
263	M	39.7	Very low	47.8	Very low	100 Å²	100	101.5 Å²	101.5	49%	0.493	50%	0.504	S	S	.	.	H	α-helix	trans	-98.8	-22.3	-163.4	-158.2	67.9	81.9	0	0	115.5	L267	M263-L267 HydrophobicContact CG-CD1 3.79Å; M263-L267 HydrophobicContact CG-CG 4.2Å; M263-L267 WeakPolarHBondContact O-CB 3.23Å; M263-L267 WeakPolarHBondContact O-CD1 3.41Å; M263-L267 WeakPolarHBondContact O-CG 3.32Å; M263-L267 PolarHBondContact O-N 2.94Å
264	S	43.3	Very low	48.8	Very low	42 Å²	42	97.3 Å²	97.3	29%	0.294	49%	0.487	S	S	.	.	H	α-helix	trans	-81.4	-29	-172.1	74	0	0	0	0	115.3	N268	S264-N268 PolarHBondContact O-N 2.88Å
265	E	41.3	Very low	50	Low	156 Å²	156	97.3 Å²	97.3	73%	0.729	48%	0.484	S	S	*	.	H	α-helix	trans	-72.3	-43.3	170.8	-75.2	174.5	170.5	0	0	109.8	L267 N268 E269	E265-L267 PolarHBondContact O-N 3.4Å; E265-N268 PolarHBondContact O-N 3.33Å; E265-E269 WeakPolarHBondContact O-CB 3.46Å; E265-E269 WeakPolarHBondContact O-CG 3.48Å; E265-E269 PolarHBondContact O-N 2.96Å
266	L	41.8	Very low	51.6	Low	56 Å²	56	97.4 Å²	97.4	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-60.5	-37.4	176.1	-119.4	142.3	0	0	0	113.6	A270 N854	L266-A270 WeakPolarHBondContact O-CB 3.5Å; L266-A270 PolarHBondContact O-N 3.04Å; L266-N854 VanDerWaalsContact CD2-OD1 3.3Å; L266-N854 WeakPolarHBondContact CD2-OD1 3.49Å
267	L	44.9	Very low	53.3	Low	61 Å²	61	89.4 Å²	89.4	32%	0.319	45%	0.445	S	S	.	.	H	α-helix	trans	-71.5	-39.1	176.1	-82.9	161.8	0	0	0	113.2	M263 E265 A270 E271	M263-L267 HydrophobicContact CG-CD1 3.79Å; M263-L267 HydrophobicContact CG-CG 4.2Å; M263-L267 WeakPolarHBondContact O-CB 3.23Å; M263-L267 WeakPolarHBondContact O-CD1 3.41Å; M263-L267 WeakPolarHBondContact O-CG 3.32Å; M263-L267 PolarHBondContact O-N 2.94Å; E265-L267 PolarHBondContact O-N 3.4Å; L267-A270 PolarHBondContact O-N 2.87Å; L267-E271 WeakPolarHBondContact O-CB 3.43Å; L267-E271 PolarHBondContact O-N 3.44Å
268	N	53.3	Low	55.3	Low	98 Å²	98	87.3 Å²	87.3	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-69.6	-38.5	175.6	-97.3	17.8	0	0	0	111.3	S264 E265 T272	S264-N268 PolarHBondContact O-N 2.88Å; E265-N268 PolarHBondContact O-N 3.33Å; N268-T272 PolarHBondContact O-N 3.43Å; N268-T272 PolarHBondContact O-OG1 3.46Å
269	E	60.2	Low	56.9	Low	110 Å²	110	87 Å²	87	51%	0.514	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-43.6	171.5	-76.7	-178.5	160.3	0	0	111.3	E265 E271 T272 A273 V851	E265-E269 WeakPolarHBondContact O-CB 3.46Å; E265-E269 WeakPolarHBondContact O-CG 3.48Å; E265-E269 PolarHBondContact O-N 2.96Å; E269-E271 PolarHBondContact O-N 3.3Å; E269-T272 PolarHBondContact O-OG1 2.77Å; E269-A273 WeakPolarHBondContact O-CB 3.38Å; E269-A273 PolarHBondContact O-N 3.3Å; E269-V851 HydrophobicContact CB-CG1 3.92Å
270	A	62.1	Low	59.2	Low	9 Å²	9	77.7 Å²	77.7	7%	0.074	39%	0.393	C	S	.	.	H	α-helix	trans	-63.2	-41.1	176.9	0	0	0	0	0	112.3	L266 L267 A273 A274 V851	L266-A270 WeakPolarHBondContact O-CB 3.5Å; L266-A270 PolarHBondContact O-N 3.04Å; L267-A270 PolarHBondContact O-N 2.87Å; A270-A273 PolarHBondContact O-N 3.45Å; A270-A274 WeakPolarHBondContact O-CB 3.26Å; A270-A274 PolarHBondContact O-N 3.12Å; A270-V851 HydrophobicContact CB-CG1 4.22Å
271	E	64.3	Low	61.5	Low	123 Å²	123	68.7 Å²	68.7	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-72.3	-38.6	-179.5	-158.8	171.3	-154.8	0	0	112	L267 E269 N275	L267-E271 WeakPolarHBondContact O-CB 3.43Å; L267-E271 PolarHBondContact O-N 3.44Å; E269-E271 PolarHBondContact O-N 3.3Å; E271-N275 WeakPolarHBondContact O-CB 3.39Å; E271-N275 VanDerWaalsContact O-CG 3.32Å; E271-N275 PolarHBondContact O-N 3.35Å; E271-N275 PolarHBondContact O-ND2 3.05Å; E271-N275 VanDerWaalsContact O-ND2 3.08Å
272	T	67.6	Low	63.7	Low	83 Å²	83	70.2 Å²	70.2	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-69.9	-37.1	172.3	39.7	0	0	0	0	112.6	N268 E269 N275 R276	N268-T272 PolarHBondContact O-N 3.43Å; N268-T272 PolarHBondContact O-OG1 3.46Å; E269-T272 PolarHBondContact O-OG1 2.77Å; T272-N275 PolarHBondContact O-N 2.96Å; T272-R276 PolarHBondContact O-N 3.17Å
273	A	70.9	Confident	65.5	Low	6 Å²	6	68.9 Å²	68.9	5%	0.05	34%	0.343	C	S	.	.	H	α-helix	trans	-63.1	-46.6	172.1	0	0	0	0	0	111.6	E269 A270 N275 R276 I277 S848 V851	E269-A273 WeakPolarHBondContact O-CB 3.38Å; E269-A273 PolarHBondContact O-N 3.3Å; A270-A273 PolarHBondContact O-N 3.45Å; A273-N275 VanDerWaalsContact C-N 3.35Å; A273-N275 PolarHBondContact O-N 3.25Å; A273-R276 PolarHBondContact O-N 2.93Å; A273-I277 WeakPolarHBondContact O-CG1 3.49Å; A273-I277 PolarHBondContact O-N 3.1Å; A273-S848 WeakPolarHBondContact CB-O 3.47Å; A273-V851 HydrophobicContact CB-CB 4.18Å; A273-V851 HydrophobicContact CB-CG1 4.27Å
274	A	72.3	Confident	67.6	Low	7 Å²	7	65.1 Å²	65.1	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-45.9	175.4	0	0	0	0	0	111.4	A270 R276 I277 C278 L852 L868	A270-A274 WeakPolarHBondContact O-CB 3.26Å; A270-A274 PolarHBondContact O-N 3.12Å; A274-R276 PolarHBondContact O-N 3.29Å; A274-I277 PolarHBondContact O-N 3.29Å; A274-C278 WeakPolarHBondContact O-CB 3.49Å; A274-C278 PolarHBondContact O-N 3.05Å; A274-C278 PolarHBondContact O-SG 2.89Å; A274-L852 HydrophobicContact CB-CD2 4.28Å; A274-L868 HydrophobicContact CB-CD2 4.05Å
275	N	72	Confident	69.5	Low	91 Å²	91	66 Å²	66	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-40.5	178.3	-78.3	-37	0	0	0	113.1	E271 T272 A273 C278 K279	E271-N275 WeakPolarHBondContact O-CB 3.39Å; E271-N275 VanDerWaalsContact O-CG 3.32Å; E271-N275 PolarHBondContact O-N 3.35Å; E271-N275 PolarHBondContact O-ND2 3.05Å; E271-N275 VanDerWaalsContact O-ND2 3.08Å; T272-N275 PolarHBondContact O-N 2.96Å; A273-N275 VanDerWaalsContact C-N 3.35Å; A273-N275 PolarHBondContact O-N 3.25Å; N275-C278 PolarHBondContact O-N 2.66Å; N275-K279 PolarHBondContact O-N 3.22Å; N275-K279 VanDerWaalsContact O-N 3.09Å
276	R	76.9	Confident	71.6	Confident	134 Å²	134	63.6 Å²	63.6	51%	0.506	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-46.8	172.8	-85	-174.9	-168.5	159.5	4.5	111.6	T272 A273 A274 K279 V280	T272-R276 PolarHBondContact O-N 3.17Å; A273-R276 PolarHBondContact O-N 2.93Å; A274-R276 PolarHBondContact O-N 3.29Å; R276-K279 PolarHBondContact O-N 3.45Å; R276-V280 PolarHBondContact O-N 2.85Å
277	I	79.3	Confident	73.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-48.2	178.7	-74.6	163.4	0	0	0	110.4	A273 A274 K279 V280 L281 F849 L852 L868	A273-I277 WeakPolarHBondContact O-CG1 3.49Å; A273-I277 PolarHBondContact O-N 3.1Å; A274-I277 PolarHBondContact O-N 3.29Å; I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.39Å; I277-V280 PolarHBondContact O-N 2.89Å; I277-L281 HydrophobicContact CG2-CD1 3.44Å; I277-L281 VanDerWaalsContact CG2-CD1 3.44Å; I277-L281 HydrophobicContact CG2-CG 4.07Å; I277-L281 WeakPolarHBondContact O-CB 3.38Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.49Å; I277-F849 HydrophobicContact CB-CZ 4.4Å; I277-F849 HydrophobicContact CD1-CB 4.4Å; I277-F849 HydrophobicContact CD1-CD1 3.54Å; I277-F849 HydrophobicContact CD1-CD2 3.98Å; I277-F849 HydrophobicContact CD1-CE1 3.65Å; I277-F849 HydrophobicContact CD1-CE2 4.1Å; I277-F849 HydrophobicContact CD1-CG 3.69Å; I277-F849 HydrophobicContact CD1-CZ 3.94Å; I277-F849 HydrophobicContact CG1-CD1 4.44Å; I277-F849 HydrophobicContact CG1-CD2 4.26Å; I277-F849 HydrophobicContact CG1-CE1 4.19Å; I277-F849 HydrophobicContact CG1-CE2 4.02Å; I277-F849 HydrophobicContact CG1-CG 4.46Å; I277-F849 HydrophobicContact CG1-CZ 3.97Å; I277-F849 HydrophobicContact CG2-CE1 3.79Å; I277-F849 HydrophobicContact CG2-CE2 4.32Å; I277-F849 HydrophobicContact CG2-CZ 3.53Å; I277-L852 HydrophobicContact CD1-CD1 3.23Å; I277-L852 HydrophobicContact CD1-CG 4.35Å; I277-L868 HydrophobicContact CB-CD2 4.34Å; I277-L868 HydrophobicContact CG2-CD1 4.12Å; I277-L868 HydrophobicContact CG2-CD2 3.9Å
278	C	80.7	Confident	75.7	Confident	19 Å²	19	60 Å²	60	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-41.3	177.2	-79.1	0	0	0	0	112.8	A274 N275 K282 P869 Q872	A274-C278 WeakPolarHBondContact O-CB 3.49Å; A274-C278 PolarHBondContact O-N 3.05Å; A274-C278 PolarHBondContact O-SG 2.89Å; N275-C278 PolarHBondContact O-N 2.66Å; C278-K282 VanDerWaalsContact O-CB 3.31Å; C278-K282 WeakPolarHBondContact O-CB 3.5Å; C278-K282 PolarHBondContact O-N 3.41Å; C278-P869 WeakPolarHBondContact SG-CD 3Å; C278-Q872 PolarHBondContact O-NE2 3.4Å; C278-Q872 PolarHBondContact O-OE1 3.38Å
279	K	77.7	Confident	77.4	Confident	135 Å²	135	62.6 Å²	62.6	59%	0.587	30%	0.296	S	S	*	.	H	α-helix	trans	-65.4	-46.3	179.8	-159.3	170.6	-172.2	164	0	111.5	N275 R276 I277 K282 V283	N275-K279 PolarHBondContact O-N 3.22Å; N275-K279 VanDerWaalsContact O-N 3.09Å; R276-K279 PolarHBondContact O-N 3.45Å; I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.39Å; K279-K282 PolarHBondContact O-N 2.98Å; K279-V283 PolarHBondContact O-N 3.35Å
280	V	81.1	Confident	78.7	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-45.7	177.9	158.4	0	0	0	0	111.9	R276 I277 K282 V283 N284 R365 I845 L902	R276-V280 PolarHBondContact O-N 2.85Å; I277-V280 PolarHBondContact O-N 2.89Å; V280-K282 VanDerWaalsContact C-N 3.33Å; V280-K282 PolarHBondContact O-N 3.19Å; V280-V283 PolarHBondContact O-N 3.22Å; V280-N284 PolarHBondContact O-N 3.14Å; V280-R365 VanDerWaalsContact CG1-NH2 3.27Å; V280-I845 HydrophobicContact CB-CD1 3.95Å; V280-I845 HydrophobicContact CG1-CD1 4.22Å; V280-I845 HydrophobicContact CG2-CD1 3.55Å; V280-I845 HydrophobicContact CG2-CG1 4.22Å; V280-L902 HydrophobicContact CG1-CD2 4.25Å
281	L	82.1	Confident	80	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-37	179.1	-73.3	175.4	0	0	0	112.4	I277 N284 Q285 Q872 Y875 C876 F898	I277-L281 HydrophobicContact CG2-CD1 3.44Å; I277-L281 VanDerWaalsContact CG2-CD1 3.44Å; I277-L281 HydrophobicContact CG2-CG 4.07Å; I277-L281 WeakPolarHBondContact O-CB 3.38Å; I277-L281 WeakPolarHBondContact O-CG 3.33Å; I277-L281 PolarHBondContact O-N 3.49Å; L281-N284 PolarHBondContact O-N 3.46Å; L281-Q285 WeakPolarHBondContact O-CG 3.39Å; L281-Q285 PolarHBondContact O-N 3.45Å; L281-Q872 HydrophobicContact CD1-CB 4.41Å; L281-Y875 HydrophobicContact CD2-CD1 3.71Å; L281-Y875 HydrophobicContact CD2-CE1 3.64Å; L281-C876 WeakPolarHBondContact CD1-SG 3.39Å; L281-F898 HydrophobicContact CD2-CE1 3.85Å; L281-F898 HydrophobicContact CD2-CZ 3.74Å
282	K	82.1	Confident	81.2	Confident	146 Å²	146	60.9 Å²	60.9	64%	0.635	29%	0.287	S	S	*	.	H	α-helix	trans	-63.7	-43.5	177.2	-155.5	174.3	-170.7	177.3	0	111.6	C278 K279 V280 N284 Q285 E286	C278-K282 VanDerWaalsContact O-CB 3.31Å; C278-K282 WeakPolarHBondContact O-CB 3.5Å; C278-K282 PolarHBondContact O-N 3.41Å; K279-K282 PolarHBondContact O-N 2.98Å; V280-K282 VanDerWaalsContact C-N 3.33Å; V280-K282 PolarHBondContact O-N 3.19Å; K282-N284 VanDerWaalsContact C-N 3.3Å; K282-N284 PolarHBondContact O-N 2.88Å; K282-Q285 PolarHBondContact O-N 2.91Å; K282-E286 PolarHBondContact O-N 3.05Å; K282-E286 VanDerWaalsContact O-N 3.14Å
283	V	81	Confident	82.2	Confident	57 Å²	57	60.2 Å²	60.2	35%	0.345	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-42	173.2	174	0	0	0	0	110.5	K279 V280 E286 N287	K279-V283 PolarHBondContact O-N 3.35Å; V280-V283 PolarHBondContact O-N 3.22Å; V283-E286 PolarHBondContact O-N 3.07Å; V283-N287 VanDerWaalsContact O-CG 3.22Å; V283-N287 PolarHBondContact O-N 3.09Å; V283-N287 PolarHBondContact O-ND2 3.35Å
284	N	84.3	Confident	83.2	Confident	20 Å²	20	59.9 Å²	59.9	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-40.3	-178.8	-152.9	49	0	0	0	113.4	V280 L281 K282 E286 N287 E288 Y875 L902	V280-N284 PolarHBondContact O-N 3.14Å; L281-N284 PolarHBondContact O-N 3.46Å; K282-N284 VanDerWaalsContact C-N 3.3Å; K282-N284 PolarHBondContact O-N 2.88Å; N284-E286 VanDerWaalsContact C-N 3.31Å; N284-E286 PolarHBondContact O-N 3.25Å; N284-N287 PolarHBondContact O-N 3.23Å; N284-E288 PolarHBondContact O-N 2.95Å; N284-Y875 PolarHBondContact ND2-OH 3.41Å; N284-L902 HydrophobicContact CB-CD2 3.72Å; N284-L902 VanDerWaalsContact ND2-CD2 3.34Å; N284-L902 WeakPolarHBondContact ND2-CD2 3.2Å
285	Q	84.4	Confident	84.1	Confident	62 Å²	62	61.8 Å²	61.8	29%	0.29	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-40.7	173.7	-77.7	178.4	4.4	0	0	112	L281 K282 N287 E288 R289 Y875	L281-Q285 WeakPolarHBondContact O-CG 3.39Å; L281-Q285 PolarHBondContact O-N 3.45Å; K282-Q285 PolarHBondContact O-N 2.91Å; Q285-N287 VanDerWaalsContact C-N 3.35Å; Q285-E288 PolarHBondContact O-N 2.92Å; Q285-R289 PolarHBondContact O-N 3.27Å; Q285-Y875 HydrophobicContact CG-CD1 4.4Å; Q285-Y875 HydrophobicContact CG-CD2 3.61Å; Q285-Y875 HydrophobicContact CG-CE1 4.4Å; Q285-Y875 HydrophobicContact CG-CE2 3.63Å; Q285-Y875 HydrophobicContact CG-CG 4.03Å
286	E	83.9	Confident	85.1	Confident	105 Å²	105	64.4 Å²	64.4	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-38.8	178.6	-148.3	177.7	-133.9	0	0	111.6	K282 V283 N284 R289 L290 K359	K282-E286 PolarHBondContact O-N 3.05Å; K282-E286 VanDerWaalsContact O-N 3.14Å; V283-E286 PolarHBondContact O-N 3.07Å; N284-E286 VanDerWaalsContact C-N 3.31Å; N284-E286 PolarHBondContact O-N 3.25Å; E286-R289 PolarHBondContact O-N 2.9Å; E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.28Å; E286-L290 VanDerWaalsContact O-N 3.13Å; E286-K359 IonicContact OE2-NZ 3.18Å; E286-K359 PolarHBondContact OE2-NZ 3.24Å
287	N	86.8	Confident	85.8	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64.2	-46.1	173.3	-68.6	-20.7	0	0	0	111.8	V283 N284 Q285 R289 L290 M291 L356 L360	V283-N287 VanDerWaalsContact O-CG 3.22Å; V283-N287 PolarHBondContact O-N 3.09Å; V283-N287 PolarHBondContact O-ND2 3.35Å; N284-N287 PolarHBondContact O-N 3.23Å; Q285-N287 VanDerWaalsContact C-N 3.35Å; N287-R289 VanDerWaalsContact C-N 3.31Å; N287-R289 PolarHBondContact O-N 3.04Å; N287-L290 PolarHBondContact O-N 3.44Å; N287-M291 HydrophobicContact CB-CE 4.04Å; N287-M291 VanDerWaalsContact O-CG 3.31Å; N287-M291 WeakPolarHBondContact O-CG 3.36Å; N287-M291 PolarHBondContact O-N 3.02Å; N287-L356 HydrophobicContact CB-CD1 4.43Å; N287-L360 HydrophobicContact CB-CD2 4Å
288	E	86.4	Confident	86.4	Confident	39 Å²	39	59.9 Å²	59.9	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-42.2	176.1	-79.7	-170.8	-167.1	0	0	111.9	N284 Q285 L290 M291 E292 Y875 R879	N284-E288 PolarHBondContact O-N 2.95Å; Q285-E288 PolarHBondContact O-N 2.92Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.38Å; E288-M291 WeakPolarHBondContact O-CB 3.01Å; E288-M291 PolarHBondContact O-N 2.92Å; E288-E292 PolarHBondContact O-N 3.23Å; E288-Y875 PolarHBondContact OE1-OH 3.21Å; E288-R879 VanDerWaalsContact CD-NH2 3.26Å; E288-R879 IonicContact OE1-CZ 3.79Å; E288-R879 IonicContact OE1-NE 3.05Å; E288-R879 PolarHBondContact OE1-NE 3.17Å; E288-R879 VanDerWaalsContact OE1-NE 3.1Å; E288-R879 IonicContact OE1-NH2 3.87Å; E288-R879 PolarHBondContact OE1-NH2 3.24Å; E288-R879 IonicContact OE2-CZ 2.79Å; E288-R879 IonicContact OE2-NE 2.62Å; E288-R879 PolarHBondContact OE2-NE 3.29Å; E288-R879 IonicContact OE2-NH2 3.6Å; E288-R879 PolarHBondContact OE2-NH2 3.04Å
289	R	88.6	Confident	87	Confident	154 Å²	154	60.7 Å²	60.7	58%	0.581	28%	0.284	S	S	*	.	H	α-helix	trans	-61.1	-43.3	177	-174.3	-169.8	139.5	-174.7	-7.9	111.9	Q285 E286 N287 M291 E292 E293	Q285-R289 PolarHBondContact O-N 3.27Å; E286-R289 PolarHBondContact O-N 2.9Å; N287-R289 VanDerWaalsContact C-N 3.31Å; N287-R289 PolarHBondContact O-N 3.04Å; R289-M291 VanDerWaalsContact C-N 3.31Å; R289-M291 PolarHBondContact O-N 3.45Å; R289-E292 PolarHBondContact O-N 3.25Å; R289-E293 IonicContact CZ-OE1 3.26Å; R289-E293 IonicContact NE-OE1 3.45Å; R289-E293 PolarHBondContact NE-OE1 3.34Å; R289-E293 IonicContact NH2-OE1 2.64Å; R289-E293 PolarHBondContact NH2-OE1 3.03Å; R289-E293 PolarHBondContact O-N 2.85Å
290	L	87.5	Confident	87.7	Confident	37 Å²	37	57.4 Å²	57.4	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-36.1	176.5	-74.4	169.1	0	0	0	112	E286 N287 E288 E293 Y294 L356 K359	E286-L290 WeakPolarHBondContact O-CG 3.3Å; E286-L290 PolarHBondContact O-N 3.28Å; E286-L290 VanDerWaalsContact O-N 3.13Å; N287-L290 PolarHBondContact O-N 3.44Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.38Å; L290-E293 PolarHBondContact O-N 3.42Å; L290-Y294 PolarHBondContact O-N 3.44Å; L290-L356 HydrophobicContact CB-CD1 3.83Å; L290-L356 HydrophobicContact CB-CD2 4.37Å; L290-L356 HydrophobicContact CB-CG 4.47Å; L290-L356 HydrophobicContact CD1-CD1 4.29Å; L290-K359 HydrophobicContact CD1-CD 4.04Å
291	M	89.6	Confident	88.4	Confident	42 Å²	42	56.9 Å²	56.9	21%	0.207	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-44.7	172.4	-65.2	172.7	-150.7	0	0	111.4	N287 E288 R289 Y294 E295 L356 L360 Y368	N287-M291 HydrophobicContact CB-CE 4.04Å; N287-M291 VanDerWaalsContact O-CG 3.31Å; N287-M291 WeakPolarHBondContact O-CG 3.36Å; N287-M291 PolarHBondContact O-N 3.02Å; E288-M291 WeakPolarHBondContact O-CB 3.01Å; E288-M291 PolarHBondContact O-N 2.92Å; R289-M291 VanDerWaalsContact C-N 3.31Å; R289-M291 PolarHBondContact O-N 3.45Å; M291-Y294 PolarHBondContact O-N 3.17Å; M291-E295 WeakPolarHBondContact O-CB 2.8Å; M291-E295 PolarHBondContact O-N 3.24Å; M291-L356 HydrophobicContact CB-CD2 4.34Å; M291-L356 HydrophobicContact CG-CD1 4.34Å; M291-L356 HydrophobicContact CG-CD2 3.65Å; M291-L360 HydrophobicContact CE-CD1 4.12Å; M291-L360 HydrophobicContact CE-CD2 3.88Å; M291-Y368 HydrophobicContact CB-CD2 4.17Å; M291-Y368 HydrophobicContact CB-CE2 3.8Å; M291-Y368 HydrophobicContact CG-CD2 3.48Å; M291-Y368 VanDerWaalsContact CG-CD2 3.48Å; M291-Y368 HydrophobicContact CG-CE2 3.66Å; M291-Y368 HydrophobicContact CG-CG 3.96Å; M291-Y368 HydrophobicContact SD-CD2 3.68Å; M291-Y368 HydrophobicContact SD-CE2 4.06Å; M291-Y368 HydrophobicContact SD-CG 4.5Å
292	E	90.1	Very high	88.9	Confident	126 Å²	126	57.5 Å²	57.5	59%	0.589	27%	0.273	S	S	*	.	H	α-helix	trans	-63.6	-42.1	177.3	-74.2	-177.4	174.8	0	0	112.2	E288 R289 Y294 E295 H296	E288-E292 PolarHBondContact O-N 3.23Å; R289-E292 PolarHBondContact O-N 3.25Å; E292-Y294 VanDerWaalsContact C-N 3.34Å; E292-Y294 PolarHBondContact O-N 3.35Å; E292-E295 PolarHBondContact O-N 3.32Å; E292-H296 WeakPolarHBondContact O-CB 3.46Å; E292-H296 PolarHBondContact O-N 3.34Å
293	E	89.4	Confident	89.5	Confident	69 Å²	69	56.9 Å²	56.9	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.2	-76.6	179.7	-165.4	0	0	111.5	R289 L290 H296 L297	R289-E293 IonicContact CZ-OE1 3.26Å; R289-E293 IonicContact NE-OE1 3.45Å; R289-E293 PolarHBondContact NE-OE1 3.34Å; R289-E293 IonicContact NH2-OE1 2.64Å; R289-E293 PolarHBondContact NH2-OE1 3.03Å; R289-E293 PolarHBondContact O-N 2.85Å; L290-E293 PolarHBondContact O-N 3.42Å; E293-H296 PolarHBondContact O-N 3.41Å; E293-L297 WeakPolarHBondContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.27Å; E293-L297 PolarHBondContact O-N 2.84Å
294	Y	92	Very high	90.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-49.7	174.1	176	-84.5	0	0	0	111.6	L290 M291 E292 H296 L297 A298 L349 F353 Y368 P370 K374 I376	L290-Y294 PolarHBondContact O-N 3.44Å; M291-Y294 PolarHBondContact O-N 3.17Å; E292-Y294 VanDerWaalsContact C-N 3.34Å; E292-Y294 PolarHBondContact O-N 3.35Å; Y294-H296 VanDerWaalsContact C-N 3.27Å; Y294-H296 PolarHBondContact O-N 3.14Å; Y294-L297 PolarHBondContact O-N 3.26Å; Y294-A298 HydrophobicContact CE1-CB 4.18Å; Y294-A298 VanDerWaalsContact O-CB 3.25Å; Y294-A298 WeakPolarHBondContact O-CB 3.35Å; Y294-A298 PolarHBondContact O-N 3.05Å; Y294-L349 HydrophobicContact CD2-CD2 4.13Å; Y294-L349 HydrophobicContact CD2-CG 3.93Å; Y294-L349 HydrophobicContact CE2-CD1 4.49Å; Y294-L349 HydrophobicContact CE2-CD2 3.36Å; Y294-L349 HydrophobicContact CE2-CG 3.67Å; Y294-F353 HydrophobicContact CD2-CB 3.84Å; Y294-F353 HydrophobicContact CD2-CD2 4.17Å; Y294-F353 HydrophobicContact CE2-CB 3.65Å; Y294-F353 AromaticContact CE2-CD2 3.77Å; Y294-F353 HydrophobicContact CE2-CD2 3.77Å; Y294-F353 HydrophobicContact CE2-CG 4.07Å; Y294-Y368 AromaticContact CD1-CE1 3.64Å; Y294-Y368 HydrophobicContact CD1-CE1 3.64Å; Y294-Y368 HydrophobicContact CE1-CE1 4.13Å; Y294-Y368 HydrophobicContact CG-CE1 4.08Å; Y294-P370 HydrophobicContact CD1-CG 4.41Å; Y294-P370 HydrophobicContact CE1-CB 3.73Å; Y294-P370 HydrophobicContact CE1-CG 3.6Å; Y294-K374 PolarHBondContact OH-O 2.81Å; Y294-I376 HydrophobicContact CE2-CG1 4.42Å
295	E	91	Very high	90.6	Very high	47 Å²	47	54.3 Å²	54.3	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-42.9	178.8	-91.8	-75.2	153.8	0	0	112.1	M291 E292 S299 Y368 S371 K374	M291-E295 WeakPolarHBondContact O-CB 2.8Å; M291-E295 PolarHBondContact O-N 3.24Å; E292-E295 PolarHBondContact O-N 3.32Å; E295-S299 WeakPolarHBondContact O-CB 3.21Å; E295-S299 PolarHBondContact O-N 3.31Å; E295-S299 PolarHBondContact O-OG 3.47Å; E295-Y368 WeakPolarHBondContact CG-OH 3.48Å; E295-S371 VanDerWaalsContact CD-OG 3.31Å; E295-S371 VanDerWaalsContact OE1-CB 3.26Å; E295-S371 WeakPolarHBondContact OE1-CB 3Å; E295-S371 PolarHBondContact OE1-N 3.34Å; E295-S371 PolarHBondContact OE1-OG 3.47Å; E295-S371 PolarHBondContact OE2-OG 3.09Å; E295-K374 WeakPolarHBondContact OE2-CD 3.37Å; E295-K374 IonicContact OE2-NZ 2.63Å; E295-K374 PolarHBondContact OE2-NZ 2.76Å
296	H	91.7	Very high	91.1	Very high	145 Å²	145	59.2 Å²	59.2	67%	0.671	27%	0.271	S	S	*	.	H	α-helix	trans	-71.3	-43.4	-177.8	-155.2	-46.2	0	0	0	111.8	E292 E293 Y294 S299 D300	E292-H296 WeakPolarHBondContact O-CB 3.46Å; E292-H296 PolarHBondContact O-N 3.34Å; E293-H296 PolarHBondContact O-N 3.41Å; Y294-H296 VanDerWaalsContact C-N 3.27Å; Y294-H296 PolarHBondContact O-N 3.14Å; H296-S299 PolarHBondContact O-N 2.95Å; H296-D300 PolarHBondContact O-N 3.29Å
297	L	91.3	Very high	91.7	Very high	40 Å²	40	62.8 Å²	62.8	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-42.7	175.1	-76.9	166.7	0	0	0	111.5	E293 Y294 S299 D300 L301 L349	E293-L297 WeakPolarHBondContact O-CB 3.31Å; E293-L297 WeakPolarHBondContact O-CG 3.27Å; E293-L297 PolarHBondContact O-N 2.84Å; Y294-L297 PolarHBondContact O-N 3.26Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 3.47Å; L297-D300 PolarHBondContact O-N 2.92Å; L297-L301 VanDerWaalsContact O-CB 3.27Å; L297-L301 WeakPolarHBondContact O-CB 3.49Å; L297-L301 PolarHBondContact O-N 3.5Å; L297-L349 HydrophobicContact CB-CD1 4.08Å
298	A	92.4	Very high	92	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-43.7	177.1	0	0	0	0	0	111.2	Y294 L301 L302 L349 K374 I379	Y294-A298 HydrophobicContact CE1-CB 4.18Å; Y294-A298 VanDerWaalsContact O-CB 3.25Å; Y294-A298 WeakPolarHBondContact O-CB 3.35Å; Y294-A298 PolarHBondContact O-N 3.05Å; A298-L301 PolarHBondContact O-N 3.44Å; A298-L302 VanDerWaalsContact O-CB 3.3Å; A298-L302 WeakPolarHBondContact O-CB 3.22Å; A298-L302 WeakPolarHBondContact O-CD1 3.47Å; A298-L302 WeakPolarHBondContact O-CG 3.5Å; A298-L302 PolarHBondContact O-N 3.13Å; A298-L349 VanDerWaalsContact CA-CD1 3.42Å; A298-L349 HydrophobicContact CB-CD1 3.8Å; A298-K374 HydrophobicContact CB-CB 4.21Å; A298-K374 HydrophobicContact CB-CD 4.12Å; A298-K374 HydrophobicContact CB-CG 4.42Å; A298-I379 HydrophobicContact CB-CD1 3.95Å
299	S	93.6	Very high	92.3	Very high	37 Å²	37	63.3 Å²	63.3	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-49.9	179.2	-57.5	0	0	0	0	112	E295 H296 L297 L301 L302 E303 K374	E295-S299 WeakPolarHBondContact O-CB 3.21Å; E295-S299 PolarHBondContact O-N 3.31Å; E295-S299 PolarHBondContact O-OG 3.47Å; H296-S299 PolarHBondContact O-N 2.95Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 3.47Å; S299-L301 VanDerWaalsContact C-N 3.34Å; S299-L301 PolarHBondContact O-N 3.13Å; S299-L302 PolarHBondContact O-N 3.45Å; S299-E303 WeakPolarHBondContact O-CB 3.48Å; S299-E303 PolarHBondContact O-N 3.4Å; S299-K374 VanDerWaalsContact OG-CE 3.3Å; S299-K374 WeakPolarHBondContact OG-CE 3.25Å; S299-K374 PolarHBondContact OG-NZ 2.9Å
300	D	93.4	Very high	92.5	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.4	-178.1	47.5	0	0	0	111.4	H296 L297 W304 K342	H296-D300 PolarHBondContact O-N 3.29Å; L297-D300 PolarHBondContact O-N 2.92Å; D300-W304 VanDerWaalsContact O-CB 3.3Å; D300-W304 WeakPolarHBondContact O-CB 3.31Å; D300-W304 PolarHBondContact O-N 2.76Å; D300-K342 IonicContact OD1-NZ 3.24Å; D300-K342 IonicContact OD2-NZ 2.92Å; D300-K342 PolarHBondContact OD2-NZ 3.3Å
301	L	94.1	Very high	92.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-47	176.8	-172.4	65.1	0	0	0	111.8	L297 A298 S299 W304 I305 K342 K346 L349 I379 W383	L297-L301 VanDerWaalsContact O-CB 3.27Å; L297-L301 WeakPolarHBondContact O-CB 3.49Å; L297-L301 PolarHBondContact O-N 3.5Å; A298-L301 PolarHBondContact O-N 3.44Å; S299-L301 VanDerWaalsContact C-N 3.34Å; S299-L301 PolarHBondContact O-N 3.13Å; L301-W304 PolarHBondContact O-N 3.01Å; L301-I305 HydrophobicContact CG-CD1 4.08Å; L301-I305 WeakPolarHBondContact O-CB 3.02Å; L301-I305 VanDerWaalsContact O-CG1 3.22Å; L301-I305 WeakPolarHBondContact O-CG1 3.33Å; L301-I305 PolarHBondContact O-N 3.47Å; L301-K342 HydrophobicContact CD1-CB 4.15Å; L301-K342 HydrophobicContact CD1-CD 4.17Å; L301-K346 HydrophobicContact CD2-CB 3.95Å; L301-K346 HydrophobicContact CD2-CG 4.31Å; L301-L349 HydrophobicContact CD2-CD1 4.43Å; L301-I379 HydrophobicContact CD2-CG2 3.77Å; L301-W383 HydrophobicContact CD1-CE3 4.44Å; L301-W383 HydrophobicContact CD1-CZ3 3.96Å
302	L	93.6	Very high	92.9	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-35	-179.9	-72.7	169.2	0	0	0	112.7	A298 S299 I305 R306 G373 K374 I379 A382	A298-L302 VanDerWaalsContact O-CB 3.3Å; A298-L302 WeakPolarHBondContact O-CB 3.22Å; A298-L302 WeakPolarHBondContact O-CD1 3.47Å; A298-L302 WeakPolarHBondContact O-CG 3.5Å; A298-L302 PolarHBondContact O-N 3.13Å; S299-L302 PolarHBondContact O-N 3.45Å; L302-I305 HydrophobicContact CD2-CD1 4.45Å; L302-R306 WeakPolarHBondContact O-CB 3.5Å; L302-R306 WeakPolarHBondContact O-CG 3.34Å; L302-R306 PolarHBondContact O-N 3.35Å; L302-R306 PolarHBondContact O-NE 2.93Å; L302-G373 WeakPolarHBondContact CD1-O 3.33Å; L302-K374 HydrophobicContact CD1-CG 3.9Å; L302-I379 HydrophobicContact CD1-CG1 4.33Å; L302-I379 HydrophobicContact CD2-CG1 4.2Å; L302-I379 HydrophobicContact CG-CG1 4.32Å; L302-A382 HydrophobicContact CD2-CB 3.89Å
303	E	94.1	Very high	92.8	Very high	133 Å²	133	59.1 Å²	59.1	62%	0.621	27%	0.274	S	S	*	.	H	α-helix	trans	-65.5	-45.6	172.9	-171.7	173.7	-179.7	0	0	111.3	S299 I305 R306 R307	S299-E303 WeakPolarHBondContact O-CB 3.48Å; S299-E303 PolarHBondContact O-N 3.4Å; E303-I305 PolarHBondContact O-N 3.48Å; E303-R306 PolarHBondContact O-N 2.78Å; E303-R307 PolarHBondContact O-N 3.2Å
304	W	95	Very high	92.7	Very high	21 Å²	21	59.7 Å²	59.7	8%	0.08	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-45.7	174.9	-179.6	88.9	0	0	0	111.9	D300 L301 R306 R307 W308 Y334 E338 K342 W383 L386	D300-W304 VanDerWaalsContact O-CB 3.3Å; D300-W304 WeakPolarHBondContact O-CB 3.31Å; D300-W304 PolarHBondContact O-N 2.76Å; L301-W304 PolarHBondContact O-N 3.01Å; W304-R306 VanDerWaalsContact C-N 3.34Å; W304-R306 PolarHBondContact O-N 3.18Å; W304-R307 PolarHBondContact O-N 3.18Å; W304-W308 AromaticContact CD1-CD1 3.74Å; W304-W308 AromaticContact CD1-NE1 3.83Å; W304-W308 AromaticContact CD2-CD1 3.76Å; W304-W308 AromaticContact CE2-CD1 3.29Å; W304-W308 AromaticContact CE2-NE1 3.54Å; W304-W308 AromaticContact CZ2-CD1 3.72Å; W304-W308 HydrophobicContact CZ2-CG 4.46Å; W304-W308 AromaticContact CZ2-NE1 3.92Å; W304-W308 AromaticContact NE1-CD1 3.28Å; W304-W308 VanDerWaalsContact NE1-CD1 3.28Å; W304-W308 AromaticContact NE1-NE1 3.14Å; W304-W308 VanDerWaalsContact NE1-NE1 3.14Å; W304-W308 PolarHBondContact O-N 3.18Å; W304-W308 VanDerWaalsContact O-N 3.08Å; W304-Y334 HydrophobicContact CH2-CD2 4.48Å; W304-Y334 AromaticContact CH2-CE2 3.46Å; W304-Y334 HydrophobicContact CH2-CE2 3.46Å; W304-Y334 VanDerWaalsContact CH2-CE2 3.46Å; W304-Y334 AromaticContact CH2-CZ 3.99Å; W304-Y334 AromaticContact CZ2-CD2 3.93Å; W304-Y334 HydrophobicContact CZ2-CD2 3.93Å; W304-Y334 AromaticContact CZ2-CE2 3.31Å; W304-Y334 HydrophobicContact CZ2-CE2 3.31Å; W304-E338 HydrophobicContact CZ2-CB 4.31Å; W304-E338 PolarHBondContact NE1-OE2 3.31Å; W304-K342 HydrophobicContact CD2-CB 4.37Å; W304-K342 HydrophobicContact CD2-CD 4.18Å; W304-K342 HydrophobicContact CD2-CG 3.68Å; W304-K342 HydrophobicContact CE3-CB 4.15Å; W304-K342 HydrophobicContact CE3-CG 3.96Å; W304-K342 HydrophobicContact CG-CD 4.21Å; W304-K342 HydrophobicContact CG-CG 4.18Å; W304-K342 HydrophobicContact CH2-CB 3.98Å; W304-K342 HydrophobicContact CH2-CG 4.09Å; W304-K342 HydrophobicContact CZ2-CB 4.18Å; W304-K342 HydrophobicContact CZ2-CG 3.8Å; W304-K342 HydrophobicContact CZ3-CB 3.95Å; W304-K342 HydrophobicContact CZ3-CG 4.16Å; W304-W383 HydrophobicContact CE3-CZ3 4.45Å; W304-W383 HydrophobicContact CZ3-CH2 4.12Å; W304-W383 AromaticContact CZ3-CZ3 3.74Å; W304-W383 HydrophobicContact CZ3-CZ3 3.74Å; W304-L386 HydrophobicContact CE3-CD2 4.37Å; W304-L386 HydrophobicContact CH2-CD2 4Å; W304-L386 HydrophobicContact CZ3-CD2 3.46Å; W304-L386 VanDerWaalsContact CZ3-CD2 3.46Å
305	I	94.6	Very high	92.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-48.4	175.1	-71.3	166.8	0	0	0	110.1	L301 L302 E303 R307 W308 L309 A382 W383 L386	L301-I305 HydrophobicContact CG-CD1 4.08Å; L301-I305 WeakPolarHBondContact O-CB 3.02Å; L301-I305 VanDerWaalsContact O-CG1 3.22Å; L301-I305 WeakPolarHBondContact O-CG1 3.33Å; L301-I305 PolarHBondContact O-N 3.47Å; L302-I305 HydrophobicContact CD2-CD1 4.45Å; E303-I305 PolarHBondContact O-N 3.48Å; I305-R307 PolarHBondContact O-N 2.95Å; I305-W308 PolarHBondContact O-N 3.25Å; I305-L309 HydrophobicContact CG2-CD1 3.79Å; I305-L309 VanDerWaalsContact O-CB 3.32Å; I305-L309 WeakPolarHBondContact O-CB 3.45Å; I305-L309 PolarHBondContact O-N 3.46Å; I305-A382 HydrophobicContact CD1-CB 4.14Å; I305-A382 HydrophobicContact CG2-CB 4.16Å; I305-W383 HydrophobicContact CD1-CE3 3.96Å; I305-W383 HydrophobicContact CG1-CE3 4.2Å; I305-L386 HydrophobicContact CG1-CD2 4.27Å; I305-L386 HydrophobicContact CG2-CB 4.25Å; I305-L386 HydrophobicContact CG2-CD1 4.48Å
306	R	94.7	Very high	91.7	Very high	164 Å²	164	67.2 Å²	67.2	62%	0.619	32%	0.317	S	S	*	.	H	α-helix	trans	-61.4	-43.4	-179.3	-82.2	-178	-80.6	-138.2	1.3	112.7	L302 E303 W304 L309 A310	L302-R306 WeakPolarHBondContact O-CB 3.5Å; L302-R306 WeakPolarHBondContact O-CG 3.34Å; L302-R306 PolarHBondContact O-N 3.35Å; L302-R306 PolarHBondContact O-NE 2.93Å; E303-R306 PolarHBondContact O-N 2.78Å; W304-R306 VanDerWaalsContact C-N 3.34Å; W304-R306 PolarHBondContact O-N 3.18Å; R306-L309 PolarHBondContact O-N 2.76Å; R306-A310 PolarHBondContact O-N 3.08Å; R306-A310 VanDerWaalsContact O-N 3.13Å
307	R	94.8	Very high	90.8	Very high	181 Å²	181	62 Å²	62	68%	0.683	30%	0.295	S	S	*	.	H	α-helix	trans	-59.5	-49.8	177.1	176.2	178.9	169.3	173.7	-5.2	111.4	E303 W304 I305 A310 W311	E303-R307 PolarHBondContact O-N 3.2Å; W304-R307 PolarHBondContact O-N 3.18Å; I305-R307 PolarHBondContact O-N 2.95Å; R307-A310 PolarHBondContact O-N 3.3Å; R307-W311 PolarHBondContact O-N 3.35Å
308	W	93.8	Very high	90.1	Very high	21 Å²	21	66.9 Å²	66.9	8%	0.08	32%	0.322	C	S	.	.	H	α-helix	trans	-71.8	-34.1	-178.7	-81.3	105.5	0	0	0	112.9	W304 I305 A310 W311 F312 Y334 E338 L386	W304-W308 AromaticContact CD1-CD1 3.74Å; W304-W308 AromaticContact CD1-NE1 3.83Å; W304-W308 AromaticContact CD2-CD1 3.76Å; W304-W308 AromaticContact CE2-CD1 3.29Å; W304-W308 AromaticContact CE2-NE1 3.54Å; W304-W308 AromaticContact CZ2-CD1 3.72Å; W304-W308 HydrophobicContact CZ2-CG 4.46Å; W304-W308 AromaticContact CZ2-NE1 3.92Å; W304-W308 AromaticContact NE1-CD1 3.28Å; W304-W308 VanDerWaalsContact NE1-CD1 3.28Å; W304-W308 AromaticContact NE1-NE1 3.14Å; W304-W308 VanDerWaalsContact NE1-NE1 3.14Å; W304-W308 PolarHBondContact O-N 3.18Å; W304-W308 VanDerWaalsContact O-N 3.08Å; I305-W308 PolarHBondContact O-N 3.25Å; W308-A310 VanDerWaalsContact C-N 3.28Å; W308-A310 PolarHBondContact O-N 3.32Å; W308-W311 HydrophobicContact CE3-CB 4.21Å; W308-W311 HydrophobicContact CE3-CD2 4.11Å; W308-W311 AromaticContact CE3-CE3 3.88Å; W308-W311 HydrophobicContact CE3-CE3 3.88Å; W308-W311 HydrophobicContact CE3-CG 4.27Å; W308-W311 AromaticContact CZ3-CD2 3.75Å; W308-W311 HydrophobicContact CZ3-CD2 3.75Å; W308-W311 AromaticContact CZ3-CE3 3.65Å; W308-W311 HydrophobicContact CZ3-CE3 3.65Å; W308-W311 HydrophobicContact CZ3-CG 4.17Å; W308-W311 HydrophobicContact CZ3-CZ3 4.06Å; W308-W311 PolarHBondContact O-N 3.05Å; W308-W311 VanDerWaalsContact O-N 3.13Å; W308-F312 HydrophobicContact CB-CD2 4.37Å; W308-F312 HydrophobicContact CB-CE2 3.92Å; W308-F312 HydrophobicContact CB-CZ 4.5Å; W308-F312 HydrophobicContact CE3-CE1 4.09Å; W308-F312 HydrophobicContact CE3-CE2 4.32Å; W308-F312 AromaticContact CE3-CZ 3.8Å; W308-F312 HydrophobicContact CE3-CZ 3.8Å; W308-F312 HydrophobicContact CZ3-CE1 4.5Å; W308-F312 WeakPolarHBondContact O-CD2 3.35Å; W308-F312 WeakPolarHBondContact O-CG 3.49Å; W308-F312 PolarHBondContact O-N 2.77Å; W308-Y334 HydrophobicContact CB-CE2 4.48Å; W308-Y334 AromaticContact CD2-CD2 3.53Å; W308-Y334 HydrophobicContact CD2-CD2 3.53Å; W308-Y334 AromaticContact CD2-CE2 3.76Å; W308-Y334 HydrophobicContact CD2-CE2 3.76Å; W308-Y334 HydrophobicContact CD2-CG 4.38Å; W308-Y334 AromaticContact CE2-CD2 3.41Å; W308-Y334 VanDerWaalsContact CE2-CD2 3.41Å; W308-Y334 AromaticContact CE2-CE2 4Å; W308-Y334 AromaticContact CE3-CD2 3.8Å; W308-Y334 HydrophobicContact CE3-CD2 3.8Å; W308-Y334 HydrophobicContact CE3-CE2 4.17Å; W308-Y334 HydrophobicContact CE3-CG 4.23Å; W308-Y334 HydrophobicContact CG-CD2 4.11Å; W308-Y334 AromaticContact CG-CE2 3.88Å; W308-Y334 HydrophobicContact CG-CE2 3.88Å; W308-Y334 AromaticContact CH2-CD2 3.92Å; W308-Y334 HydrophobicContact CH2-CD2 3.92Å; W308-Y334 HydrophobicContact CH2-CG 4.03Å; W308-Y334 AromaticContact CZ2-CD2 3.62Å; W308-Y334 HydrophobicContact CZ2-CD2 3.62Å; W308-Y334 HydrophobicContact CZ2-CG 4.16Å; W308-Y334 AromaticContact CZ3-CD2 3.99Å; W308-Y334 HydrophobicContact CZ3-CD2 3.99Å; W308-Y334 HydrophobicContact CZ3-CG 4.05Å; W308-Y334 AromaticContact NE1-CD2 3.85Å; W308-E338 PolarHBondContact NE1-OE2 2.68Å; W308-L386 HydrophobicContact CB-CD1 3.93Å
309	L	93	Very high	89.3	Confident	30 Å²	30	68.5 Å²	68.5	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-39.9	171	-111.4	153.8	0	0	0	112.3	I305 R306 K313 L386 A389	I305-L309 HydrophobicContact CG2-CD1 3.79Å; I305-L309 VanDerWaalsContact O-CB 3.32Å; I305-L309 WeakPolarHBondContact O-CB 3.45Å; I305-L309 PolarHBondContact O-N 3.46Å; R306-L309 PolarHBondContact O-N 2.76Å; L309-K313 WeakPolarHBondContact O-CB 3.4Å; L309-K313 VanDerWaalsContact O-CG 3.28Å; L309-K313 WeakPolarHBondContact O-CG 3.45Å; L309-K313 PolarHBondContact O-N 3.46Å; L309-K313 VanDerWaalsContact O-N 3.1Å; L309-L386 HydrophobicContact CG-CD1 4.24Å; L309-A389 HydrophobicContact CD2-CB 3.96Å
310	A	92.8	Very high	88.9	Confident	61 Å²	61	70.1 Å²	70.1	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-40.6	175.5	0	0	0	0	0	111.7	R306 R307 W308 K313 N314	R306-A310 PolarHBondContact O-N 3.08Å; R306-A310 VanDerWaalsContact O-N 3.13Å; R307-A310 PolarHBondContact O-N 3.3Å; W308-A310 VanDerWaalsContact C-N 3.28Å; W308-A310 PolarHBondContact O-N 3.32Å; A310-K313 PolarHBondContact O-N 3.31Å; A310-N314 PolarHBondContact O-N 2.96Å
311	W	93.2	Very high	88.5	Confident	56 Å²	56	68 Å²	68	21%	0.212	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-46.4	177.1	-169.6	95.1	0	0	0	112	R307 W308 K313 N314 M327 E330 F393	R307-W311 PolarHBondContact O-N 3.35Å; W308-W311 HydrophobicContact CE3-CB 4.21Å; W308-W311 HydrophobicContact CE3-CD2 4.11Å; W308-W311 AromaticContact CE3-CE3 3.88Å; W308-W311 HydrophobicContact CE3-CE3 3.88Å; W308-W311 HydrophobicContact CE3-CG 4.27Å; W308-W311 AromaticContact CZ3-CD2 3.75Å; W308-W311 HydrophobicContact CZ3-CD2 3.75Å; W308-W311 AromaticContact CZ3-CE3 3.65Å; W308-W311 HydrophobicContact CZ3-CE3 3.65Å; W308-W311 HydrophobicContact CZ3-CG 4.17Å; W308-W311 HydrophobicContact CZ3-CZ3 4.06Å; W308-W311 PolarHBondContact O-N 3.05Å; W308-W311 VanDerWaalsContact O-N 3.13Å; W311-K313 VanDerWaalsContact C-N 3.28Å; W311-K313 PolarHBondContact O-N 2.87Å; W311-N314 WeakPolarHBondContact O-CB 3.44Å; W311-N314 PolarHBondContact O-N 3.2Å; W311-M327 HydrophobicContact CZ2-CG 4.44Å; W311-E330 HydrophobicContact CH2-CB 4.42Å; W311-E330 HydrophobicContact CZ2-CB 3.95Å; W311-E330 WeakPolarHBondContact CZ2-OE2 3.36Å; W311-E330 PolarHBondContact NE1-OE2 2.8Å; W311-F393 HydrophobicContact CE3-CE1 4.48Å; W311-F393 HydrophobicContact CE3-CE2 4.42Å; W311-F393 HydrophobicContact CE3-CZ 4.17Å; W311-F393 AromaticContact CH2-CE1 3.73Å; W311-F393 HydrophobicContact CH2-CE1 3.73Å; W311-F393 HydrophobicContact CH2-CE2 4.37Å; W311-F393 AromaticContact CH2-CZ 3.45Å; W311-F393 HydrophobicContact CH2-CZ 3.45Å; W311-F393 VanDerWaalsContact CH2-CZ 3.45Å; W311-F393 HydrophobicContact CZ2-CZ 4.45Å; W311-F393 HydrophobicContact CZ3-CD1 4.12Å; W311-F393 AromaticContact CZ3-CE1 3.39Å; W311-F393 HydrophobicContact CZ3-CE1 3.39Å; W311-F393 AromaticContact CZ3-CE2 3.93Å; W311-F393 HydrophobicContact CZ3-CE2 3.93Å; W311-F393 AromaticContact CZ3-CZ 3.27Å; W311-F393 HydrophobicContact CZ3-CZ 3.27Å
312	F	92.3	Very high	88.2	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.009	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-28.4	176.8	-65.1	-44.8	0	0	0	113.8	W308 N314 Y331 Y334 L386 A389 E390 F393	W308-F312 HydrophobicContact CB-CD2 4.37Å; W308-F312 HydrophobicContact CB-CE2 3.92Å; W308-F312 HydrophobicContact CB-CZ 4.5Å; W308-F312 HydrophobicContact CE3-CE1 4.09Å; W308-F312 HydrophobicContact CE3-CE2 4.32Å; W308-F312 AromaticContact CE3-CZ 3.8Å; W308-F312 HydrophobicContact CE3-CZ 3.8Å; W308-F312 HydrophobicContact CZ3-CE1 4.5Å; W308-F312 WeakPolarHBondContact O-CD2 3.35Å; W308-F312 WeakPolarHBondContact O-CG 3.49Å; W308-F312 PolarHBondContact O-N 2.77Å; F312-N314 VanDerWaalsContact C-N 3.3Å; F312-Y331 AromaticContact CE1-CD2 3.93Å; F312-Y331 HydrophobicContact CE1-CD2 3.93Å; F312-Y331 HydrophobicContact CE1-CE2 4.03Å; F312-Y331 HydrophobicContact CZ-CE2 4.44Å; F312-Y334 HydrophobicContact CE1-CE1 4.49Å; F312-Y334 HydrophobicContact CE2-CE1 4.39Å; F312-Y334 HydrophobicContact CE2-CE2 4.46Å; F312-Y334 HydrophobicContact CZ-CD1 4.01Å; F312-Y334 AromaticContact CZ-CE1 3.6Å; F312-Y334 HydrophobicContact CZ-CE1 3.6Å; F312-Y334 HydrophobicContact CZ-CE2 4.06Å; F312-Y334 HydrophobicContact CZ-CG 4.47Å; F312-Y334 AromaticContact CZ-CZ 3.61Å; F312-L386 HydrophobicContact CD2-CD1 3.89Å; F312-L386 HydrophobicContact CE2-CD1 3.69Å; F312-L386 HydrophobicContact CE2-CG 4.36Å; F312-A389 HydrophobicContact CB-CB 4.16Å; F312-A389 HydrophobicContact CD2-CB 4.44Å; F312-E390 HydrophobicContact CE2-CB 4.37Å; F312-F393 HydrophobicContact CB-CB 4.19Å; F312-F393 HydrophobicContact CB-CD2 4.46Å; F312-F393 HydrophobicContact CB-CG 4.43Å; F312-F393 HydrophobicContact CD1-CB 3.93Å; F312-F393 AromaticContact CD1-CD1 3.81Å; F312-F393 HydrophobicContact CD1-CD1 3.81Å; F312-F393 HydrophobicContact CD1-CD2 4.19Å; F312-F393 HydrophobicContact CD1-CE1 4.39Å; F312-F393 AromaticContact CD1-CG 3.7Å; F312-F393 HydrophobicContact CD1-CG 3.7Å; F312-F393 HydrophobicContact CE1-CD1 4.2Å; F312-F393 HydrophobicContact CG-CB 4.36Å; F312-F393 HydrophobicContact CG-CG 4.48Å; F312-F393 WeakPolarHBondContact O-CD2 3.41Å
313	K	88.5	Confident	87.9	Confident	151 Å²	151	75.6 Å²	75.6	66%	0.657	37%	0.373	S	S	*	.	H	α-helix	trans	-72.5	-25.7	172.5	-78.5	177.3	-179.7	-179.3	0	112.4	L309 A310 W311 R315	L309-K313 WeakPolarHBondContact O-CB 3.4Å; L309-K313 VanDerWaalsContact O-CG 3.28Å; L309-K313 WeakPolarHBondContact O-CG 3.45Å; L309-K313 PolarHBondContact O-N 3.46Å; L309-K313 VanDerWaalsContact O-N 3.1Å; A310-K313 PolarHBondContact O-N 3.31Å; W311-K313 VanDerWaalsContact C-N 3.28Å; W311-K313 PolarHBondContact O-N 2.87Å; K313-R315 PolarHBondContact O-N 3.45Å; K313-R315 VanDerWaalsContact O-N 3.13Å
314	N	86.7	Confident	87.6	Confident	82 Å²	82	69.3 Å²	69.3	44%	0.439	34%	0.343	S	S	.	.			trans	-78.8	99.1	-180	-170.4	8.4	0	0	0	111.1	A310 W311 F312 S316	A310-N314 PolarHBondContact O-N 2.96Å; W311-N314 WeakPolarHBondContact O-CB 3.44Å; W311-N314 PolarHBondContact O-N 3.2Å; F312-N314 VanDerWaalsContact C-N 3.3Å; N314-S316 PolarHBondContact OD1-N 3.28Å; N314-S316 PolarHBondContact OD1-OG 3.4Å
315	R	83.7	Confident	87.3	Confident	126 Å²	126	72.7 Å²	72.7	48%	0.475	36%	0.36	S	S	.	.			trans	-99.7	18.6	179.2	-62.6	-177.1	-177.8	-171	-4	113.3	K313 T317 G392 W396	K313-R315 PolarHBondContact O-N 3.45Å; K313-R315 VanDerWaalsContact O-N 3.13Å; R315-T317 PolarHBondContact O-N 3.45Å; R315-G392 PolarHBondContact NH2-O 3.37Å; R315-W396 HydrophobicContact CB-CD2 4.19Å; R315-W396 HydrophobicContact CB-CH2 4.09Å; R315-W396 HydrophobicContact CB-CZ2 3.7Å; R315-W396 HydrophobicContact CG-CD2 3.94Å; R315-W396 HydrophobicContact CG-CE3 4.2Å; R315-W396 HydrophobicContact CG-CG 4.37Å; R315-W396 HydrophobicContact CG-CZ2 4.33Å; R315-W396 HydrophobicContact CG-CZ3 4.48Å; R315-W396 WeakPolarHBondContact O-CZ2 3.36Å
316	S	78.8	Confident	87.1	Confident	78 Å²	78	76.9 Å²	76.9	55%	0.545	38%	0.382	S	S	.	.			trans	-79.9	119.4	179.2	67.4	0	0	0	0	110.7	N314	N314-S316 PolarHBondContact OD1-N 3.28Å; N314-S316 PolarHBondContact OD1-OG 3.4Å
317	T	73.2	Confident	86.8	Confident	35 Å²	35	70.3 Å²	70.3	22%	0.215	36%	0.359	C	S	.	.			trans	-120.6	155.1	168.2	73.1	0	0	0	0	109.7	R315 G319 V324 M327 W396	R315-T317 PolarHBondContact O-N 3.45Å; T317-G319 PolarHBondContact O-N 3.01Å; T317-G319 PolarHBondContact OG1-N 3.19Å; T317-V324 HydrophobicContact CG2-CG2 3.9Å; T317-M327 HydrophobicContact CG2-SD 3.94Å; T317-W396 HydrophobicContact CG2-CH2 3.53Å; T317-W396 HydrophobicContact CG2-CZ2 3.88Å
318	N	76	Confident	86.6	Confident	144 Å²	144	62.8 Å²	62.8	77%	0.77	33%	0.332	S	S	*	.			trans	-72	15.1	175.8	-52.7	-2.2	0	0	0	112	T320	N318-T320 PolarHBondContact O-N 2.94Å
319	G	75.9	Confident	86.4	Confident	34 Å²	34	64.9 Å²	64.9	35%	0.351	35%	0.35	S	S	.	.	S	Bend	trans	66.5	18.7	-177.2	0	0	0	0	0	114.7	T317 L404	T317-G319 PolarHBondContact O-N 3.01Å; T317-G319 PolarHBondContact OG1-N 3.19Å; G319-L404 WeakPolarHBondContact O-CD2 3.44Å
320	T	84.4	Confident	86.3	Confident	70 Å²	70	67.7 Å²	67.7	43%	0.429	36%	0.362	S	S	.	.			trans	-114.8	141.4	-178.5	54.5	0	0	0	0	111.3	N318 K322 A323 V324	N318-T320 PolarHBondContact O-N 2.94Å; T320-K322 PolarHBondContact O-N 3.44Å; T320-A323 PolarHBondContact O-N 2.91Å; T320-A323 VanDerWaalsContact O-N 3.12Å; T320-A323 WeakPolarHBondContact OG1-CB 3.35Å; T320-V324 PolarHBondContact O-N 3.41Å
321	L	85.6	Confident	86.3	Confident	22 Å²	22	65 Å²	65	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-39.6	179.6	-175	65.2	0	0	0	111.4	A323 V324 Q325 M401 L404 E405 E408	L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.24Å; L321-V324 PolarHBondContact O-N 2.82Å; L321-Q325 HydrophobicContact CG-CG 4.49Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.22Å; L321-M401 HydrophobicContact CD1-CG 3.88Å; L321-L404 HydrophobicContact CB-CB 4.39Å; L321-L404 HydrophobicContact CD1-CB 4.03Å; L321-E405 HydrophobicContact CD1-CB 4.45Å; L321-E408 WeakPolarHBondContact CD2-OE2 3.43Å
322	K	86.7	Confident	86.1	Confident	151 Å²	151	69.4 Å²	69.4	66%	0.657	36%	0.356	S	S	*	.	H	α-helix	trans	-63	-35.9	178.8	-163.8	167	-174	173.4	0	113.5	T320 Q325 N326	T320-K322 PolarHBondContact O-N 3.44Å; K322-Q325 PolarHBondContact O-N 3.3Å; K322-N326 PolarHBondContact O-N 3.45Å; K322-N326 PolarHBondContact O-OD1 2.84Å
323	A	87.3	Confident	86	Confident	24 Å²	24	74.6 Å²	74.6	20%	0.198	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-42.1	176.1	0	0	0	0	0	111.5	T320 L321 N326 M327	T320-A323 PolarHBondContact O-N 2.91Å; T320-A323 VanDerWaalsContact O-N 3.12Å; T320-A323 WeakPolarHBondContact OG1-CB 3.35Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.24Å; A323-N326 PolarHBondContact O-N 2.85Å; A323-M327 PolarHBondContact O-N 3.38Å
324	V	88.9	Confident	86.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-39.2	175	176.5	0	0	0	0	111.3	T317 T320 L321 N326 M327 L328 L397 E400 M401 L404	T317-V324 HydrophobicContact CG2-CG2 3.9Å; T320-V324 PolarHBondContact O-N 3.41Å; L321-V324 PolarHBondContact O-N 2.82Å; V324-N326 VanDerWaalsContact C-N 3.32Å; V324-N326 PolarHBondContact O-N 2.9Å; V324-M327 PolarHBondContact O-N 3.03Å; V324-L328 WeakPolarHBondContact O-CB 3.34Å; V324-L328 PolarHBondContact O-N 3.25Å; V324-L397 HydrophobicContact CG1-CD1 4.07Å; V324-L397 HydrophobicContact CG1-CG 4.32Å; V324-E400 HydrophobicContact CG2-CG 4.07Å; V324-M401 HydrophobicContact CG1-CB 3.97Å; V324-M401 HydrophobicContact CG1-CG 4.39Å; V324-L404 HydrophobicContact CB-CD1 4.34Å; V324-L404 HydrophobicContact CG2-CD1 3.53Å
325	Q	88.7	Confident	86.4	Confident	92 Å²	92	69.4 Å²	69.4	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-39	174.4	-75.1	173.9	-13.3	0	0	112.4	L321 K322 L328 S329	L321-Q325 HydrophobicContact CG-CG 4.49Å; L321-Q325 WeakPolarHBondContact O-CG 3.43Å; L321-Q325 PolarHBondContact O-N 3.22Å; K322-Q325 PolarHBondContact O-N 3.3Å; Q325-L328 WeakPolarHBondContact O-CB 3.49Å; Q325-L328 PolarHBondContact O-N 2.9Å; Q325-S329 PolarHBondContact O-N 2.92Å
326	N	89.3	Confident	86.6	Confident	90 Å²	90	72.7 Å²	72.7	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-46.4	174.1	-71	-9.3	0	0	0	111.2	K322 A323 V324 L328 S329 E330	K322-N326 PolarHBondContact O-N 3.45Å; K322-N326 PolarHBondContact O-OD1 2.84Å; A323-N326 PolarHBondContact O-N 2.85Å; V324-N326 VanDerWaalsContact C-N 3.32Å; V324-N326 PolarHBondContact O-N 2.9Å; N326-L328 VanDerWaalsContact C-N 3.27Å; N326-L328 PolarHBondContact O-N 3.04Å; N326-S329 WeakPolarHBondContact O-CA 3.37Å; N326-S329 WeakPolarHBondContact O-CB 3.47Å; N326-S329 PolarHBondContact O-N 3.13Å; N326-S329 PolarHBondContact O-OG 3.38Å; N326-E330 PolarHBondContact O-N 3.35Å
327	M	90.2	Very high	87	Confident	27 Å²	27	77 Å²	77	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-58.1	-39.2	173.2	-85.2	-176.8	141.6	0	0	112.4	W311 T317 A323 V324 S329 E330 Y331 W396 L397	W311-M327 HydrophobicContact CZ2-CG 4.44Å; T317-M327 HydrophobicContact CG2-SD 3.94Å; A323-M327 PolarHBondContact O-N 3.38Å; V324-M327 PolarHBondContact O-N 3.03Å; M327-S329 VanDerWaalsContact C-N 3.3Å; M327-S329 PolarHBondContact O-N 2.77Å; M327-E330 PolarHBondContact O-N 3.05Å; M327-Y331 WeakPolarHBondContact O-CB 3.31Å; M327-Y331 PolarHBondContact O-N 3.41Å; M327-W396 HydrophobicContact SD-CH2 4.24Å; M327-W396 HydrophobicContact SD-CZ3 4.39Å; M327-L397 HydrophobicContact CB-CD1 4Å
328	L	89.6	Confident	87.8	Confident	23 Å²	23	79 Å²	79	12%	0.12	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-37.7	174.2	178.5	66.3	0	0	0	111.7	V324 Q325 N326 Y331 R332 L397 M401	V324-L328 WeakPolarHBondContact O-CB 3.34Å; V324-L328 PolarHBondContact O-N 3.25Å; Q325-L328 WeakPolarHBondContact O-CB 3.49Å; Q325-L328 PolarHBondContact O-N 2.9Å; N326-L328 VanDerWaalsContact C-N 3.27Å; N326-L328 PolarHBondContact O-N 3.04Å; L328-Y331 PolarHBondContact O-N 3.32Å; L328-R332 HydrophobicContact CD1-CG 4.48Å; L328-R332 WeakPolarHBondContact O-CB 3.32Å; L328-R332 VanDerWaalsContact O-CG 3.25Å; L328-R332 WeakPolarHBondContact O-CG 3.44Å; L328-R332 PolarHBondContact O-N 3.11Å; L328-L397 HydrophobicContact CB-CD2 3.91Å; L328-L397 HydrophobicContact CD1-CD2 3.41Å; L328-L397 VanDerWaalsContact CD1-CD2 3.41Å; L328-L397 HydrophobicContact CG-CD2 4.24Å; L328-M401 HydrophobicContact CD2-SD 3.96Å
329	S	89.5	Confident	88.5	Confident	64 Å²	64	73.7 Å²	73.7	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-43.1	176.6	73.6	0	0	0	0	112.2	Q325 N326 M327 R332 E333	Q325-S329 PolarHBondContact O-N 2.92Å; N326-S329 WeakPolarHBondContact O-CA 3.37Å; N326-S329 WeakPolarHBondContact O-CB 3.47Å; N326-S329 PolarHBondContact O-N 3.13Å; N326-S329 PolarHBondContact O-OG 3.38Å; M327-S329 VanDerWaalsContact C-N 3.3Å; M327-S329 PolarHBondContact O-N 2.77Å; S329-R332 PolarHBondContact O-N 3.06Å; S329-E333 PolarHBondContact O-N 3.27Å
330	E	90.8	Very high	89.1	Confident	90 Å²	90	75 Å²	75	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174	-70.2	176.7	-152.6	0	0	111.1	W311 N326 M327 R332 E333 Y334	W311-E330 HydrophobicContact CH2-CB 4.42Å; W311-E330 HydrophobicContact CZ2-CB 3.95Å; W311-E330 WeakPolarHBondContact CZ2-OE2 3.36Å; W311-E330 PolarHBondContact NE1-OE2 2.8Å; N326-E330 PolarHBondContact O-N 3.35Å; M327-E330 PolarHBondContact O-N 3.05Å; E330-R332 VanDerWaalsContact C-N 3.34Å; E330-R332 PolarHBondContact O-N 3.45Å; E330-E333 PolarHBondContact O-N 3.16Å; E330-Y334 PolarHBondContact O-N 2.84Å
331	Y	92	Very high	89.4	Confident	5 Å²	5	76.5 Å²	76.5	2%	0.02	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-40.5	175.5	179.9	-121.7	0	0	0	112.6	F312 M327 L328 Y334 R335 E390 F393 E394 L397	F312-Y331 AromaticContact CE1-CD2 3.93Å; F312-Y331 HydrophobicContact CE1-CD2 3.93Å; F312-Y331 HydrophobicContact CE1-CE2 4.03Å; F312-Y331 HydrophobicContact CZ-CE2 4.44Å; M327-Y331 WeakPolarHBondContact O-CB 3.31Å; M327-Y331 PolarHBondContact O-N 3.41Å; L328-Y331 PolarHBondContact O-N 3.32Å; Y331-Y334 AromaticContact CD2-CD1 3.97Å; Y331-Y334 HydrophobicContact CD2-CD1 3.97Å; Y331-Y334 HydrophobicContact CE2-CD1 4.02Å; Y331-Y334 HydrophobicContact CE2-CE1 4.2Å; Y331-Y334 WeakPolarHBondContact O-CB 3.2Å; Y331-Y334 PolarHBondContact O-N 2.91Å; Y331-R335 HydrophobicContact CE2-CG 4.06Å; Y331-R335 VanDerWaalsContact CZ-CD 3.49Å; Y331-R335 PolarHBondContact O-N 3.37Å; Y331-R335 WeakPolarHBondContact OH-CD 3.34Å; Y331-E390 HydrophobicContact CE2-CG 3.87Å; Y331-E390 VanDerWaalsContact OH-CG 3.27Å; Y331-E390 WeakPolarHBondContact OH-CG 3.29Å; Y331-E390 PolarHBondContact OH-OE1 3.16Å; Y331-F393 HydrophobicContact CD2-CD1 4.22Å; Y331-F393 HydrophobicContact CD2-CE1 4.22Å; Y331-F393 HydrophobicContact CE2-CD1 4.45Å; Y331-F393 HydrophobicContact CG-CD1 4.48Å; Y331-F393 HydrophobicContact CG-CE1 4.18Å; Y331-E394 HydrophobicContact CE1-CB 4.24Å; Y331-E394 HydrophobicContact CE1-CG 4.17Å; Y331-E394 PolarHBondContact OH-OE2 3.42Å; Y331-L397 HydrophobicContact CD1-CD2 4.36Å
332	R	89.7	Confident	89.7	Confident	148 Å²	148	76.5 Å²	76.5	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-65	-39	174.8	-77.4	173.3	175.2	-178.9	-0.2	111.7	L328 S329 E330 R335 R336	L328-R332 HydrophobicContact CD1-CG 4.48Å; L328-R332 WeakPolarHBondContact O-CB 3.32Å; L328-R332 VanDerWaalsContact O-CG 3.25Å; L328-R332 WeakPolarHBondContact O-CG 3.44Å; L328-R332 PolarHBondContact O-N 3.11Å; S329-R332 PolarHBondContact O-N 3.06Å; E330-R332 VanDerWaalsContact C-N 3.34Å; E330-R332 PolarHBondContact O-N 3.45Å; R332-R335 PolarHBondContact O-N 3.17Å; R332-R336 WeakPolarHBondContact O-CB 3.02Å; R332-R336 PolarHBondContact O-N 3.17Å
333	E	89.6	Confident	89.8	Confident	110 Å²	110	73.5 Å²	73.5	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-44.6	176.5	-171.2	165.7	-165.1	0	0	111.4	S329 E330 R335 R336 R337	S329-E333 PolarHBondContact O-N 3.27Å; E330-E333 PolarHBondContact O-N 3.16Å; E333-R335 PolarHBondContact O-N 3.42Å; E333-R336 PolarHBondContact O-N 3.22Å; E333-R337 PolarHBondContact O-N 3.31Å
334	Y	92.8	Very high	89.8	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.008	36%	0.361	C	S	.	.	I	π-helix	trans	-52.6	-52.8	170.6	160.3	-96.4	0	0	0	112.1	W304 W308 F312 E330 Y331 R336 E338 K339 E390	W304-Y334 HydrophobicContact CH2-CD2 4.48Å; W304-Y334 AromaticContact CH2-CE2 3.46Å; W304-Y334 HydrophobicContact CH2-CE2 3.46Å; W304-Y334 VanDerWaalsContact CH2-CE2 3.46Å; W304-Y334 AromaticContact CH2-CZ 3.99Å; W304-Y334 AromaticContact CZ2-CD2 3.93Å; W304-Y334 HydrophobicContact CZ2-CD2 3.93Å; W304-Y334 AromaticContact CZ2-CE2 3.31Å; W304-Y334 HydrophobicContact CZ2-CE2 3.31Å; W308-Y334 HydrophobicContact CB-CE2 4.48Å; W308-Y334 AromaticContact CD2-CD2 3.53Å; W308-Y334 HydrophobicContact CD2-CD2 3.53Å; W308-Y334 AromaticContact CD2-CE2 3.76Å; W308-Y334 HydrophobicContact CD2-CE2 3.76Å; W308-Y334 HydrophobicContact CD2-CG 4.38Å; W308-Y334 AromaticContact CE2-CD2 3.41Å; W308-Y334 VanDerWaalsContact CE2-CD2 3.41Å; W308-Y334 AromaticContact CE2-CE2 4Å; W308-Y334 AromaticContact CE3-CD2 3.8Å; W308-Y334 HydrophobicContact CE3-CD2 3.8Å; W308-Y334 HydrophobicContact CE3-CE2 4.17Å; W308-Y334 HydrophobicContact CE3-CG 4.23Å; W308-Y334 HydrophobicContact CG-CD2 4.11Å; W308-Y334 AromaticContact CG-CE2 3.88Å; W308-Y334 HydrophobicContact CG-CE2 3.88Å; W308-Y334 AromaticContact CH2-CD2 3.92Å; W308-Y334 HydrophobicContact CH2-CD2 3.92Å; W308-Y334 HydrophobicContact CH2-CG 4.03Å; W308-Y334 AromaticContact CZ2-CD2 3.62Å; W308-Y334 HydrophobicContact CZ2-CD2 3.62Å; W308-Y334 HydrophobicContact CZ2-CG 4.16Å; W308-Y334 AromaticContact CZ3-CD2 3.99Å; W308-Y334 HydrophobicContact CZ3-CD2 3.99Å; W308-Y334 HydrophobicContact CZ3-CG 4.05Å; W308-Y334 AromaticContact NE1-CD2 3.85Å; F312-Y334 HydrophobicContact CE1-CE1 4.49Å; F312-Y334 HydrophobicContact CE2-CE1 4.39Å; F312-Y334 HydrophobicContact CE2-CE2 4.46Å; F312-Y334 HydrophobicContact CZ-CD1 4.01Å; F312-Y334 AromaticContact CZ-CE1 3.6Å; F312-Y334 HydrophobicContact CZ-CE1 3.6Å; F312-Y334 HydrophobicContact CZ-CE2 4.06Å; F312-Y334 HydrophobicContact CZ-CG 4.47Å; F312-Y334 AromaticContact CZ-CZ 3.61Å; E330-Y334 PolarHBondContact O-N 2.84Å; Y331-Y334 AromaticContact CD2-CD1 3.97Å; Y331-Y334 HydrophobicContact CD2-CD1 3.97Å; Y331-Y334 HydrophobicContact CE2-CD1 4.02Å; Y331-Y334 HydrophobicContact CE2-CE1 4.2Å; Y331-Y334 WeakPolarHBondContact O-CB 3.2Å; Y331-Y334 PolarHBondContact O-N 2.91Å; Y334-R336 VanDerWaalsContact C-N 3.32Å; Y334-R336 PolarHBondContact O-N 3.41Å; Y334-E338 HydrophobicContact CD2-CB 4.48Å; Y334-E338 PolarHBondContact O-N 3.3Å; Y334-K339 HydrophobicContact CE1-CB 4.23Å; Y334-K339 HydrophobicContact CE1-CD 3.95Å; Y334-K339 HydrophobicContact CE2-CB 4.29Å; Y334-K339 WeakPolarHBondContact O-CB 3.38Å; Y334-K339 PolarHBondContact O-N 3.02Å; Y334-E390 PolarHBondContact OH-OE2 2.98Å
335	R	92	Very high	89.8	Confident	122 Å²	122	81.6 Å²	81.6	46%	0.46	37%	0.374	S	S	.	.	I	π-helix	trans	-65.6	-33.4	-178.7	-85.5	-169.7	62.7	177.1	-0.2	113.2	Y331 R332 E333 P340 E394	Y331-R335 HydrophobicContact CE2-CG 4.06Å; Y331-R335 VanDerWaalsContact CZ-CD 3.49Å; Y331-R335 PolarHBondContact O-N 3.37Å; Y331-R335 WeakPolarHBondContact OH-CD 3.34Å; R332-R335 PolarHBondContact O-N 3.17Å; E333-R335 PolarHBondContact O-N 3.42Å; R335-P340 WeakPolarHBondContact O-CD 3.46Å; R335-E394 IonicContact NH1-OE1 3.99Å; R335-E394 IonicContact NH1-OE2 4Å; R335-E394 PolarHBondContact NH1-OE2 2.84Å
336	R	86.8	Confident	89.9	Confident	195 Å²	195	78.5 Å²	78.5	74%	0.736	36%	0.359	S	S	*	.	I	π-helix	trans	-87.8	-34.1	-173.7	-162.4	-172.6	-62.9	-176.4	-1.7	113.3	R332 E333 Y334	R332-R336 WeakPolarHBondContact O-CB 3.02Å; R332-R336 PolarHBondContact O-N 3.17Å; E333-R336 PolarHBondContact O-N 3.22Å; Y334-R336 VanDerWaalsContact C-N 3.32Å; Y334-R336 PolarHBondContact O-N 3.41Å
337	R	88.2	Confident	89.6	Confident	169 Å²	169	75.6 Å²	75.6	64%	0.638	35%	0.35	S	S	*	.	I	π-helix	trans	-113.7	-52.7	-172.9	-69.5	-173.2	171.6	-165.9	-2.9	113.5	E333	E333-R337 PolarHBondContact O-N 3.31Å
338	E	89.7	Confident	89.4	Confident	76 Å²	76	82 Å²	82	36%	0.355	37%	0.373	S	S	.	.	I	π-helix	trans	-79.9	-51	-171.8	-69	-163.7	-160.2	0	0	113.2	W304 W308 Y334 L341 K342	W304-E338 HydrophobicContact CZ2-CB 4.31Å; W304-E338 PolarHBondContact NE1-OE2 3.31Å; W308-E338 PolarHBondContact NE1-OE2 2.68Å; Y334-E338 HydrophobicContact CD2-CB 4.48Å; Y334-E338 PolarHBondContact O-N 3.3Å; E338-L341 PolarHBondContact O-N 3.36Å; E338-K342 PolarHBondContact O-N 2.84Å
339	K	90.6	Very high	89.4	Confident	34 Å²	34	81 Å²	81	15%	0.148	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-43.6	-174.5	-175.1	-179.5	-179.7	177.2	0	113.6	Y334 L341 K342 I343 E390	Y334-K339 HydrophobicContact CE1-CB 4.23Å; Y334-K339 HydrophobicContact CE1-CD 3.95Å; Y334-K339 HydrophobicContact CE2-CB 4.29Å; Y334-K339 WeakPolarHBondContact O-CB 3.38Å; Y334-K339 PolarHBondContact O-N 3.02Å; K339-L341 VanDerWaalsContact C-N 3.35Å; K339-L341 PolarHBondContact O-N 2.72Å; K339-K342 PolarHBondContact O-N 3.48Å; K339-K342 VanDerWaalsContact O-N 3.13Å; K339-I343 HydrophobicContact CG-CD1 4.04Å; K339-I343 HydrophobicContact CG-CG1 4.4Å; K339-I343 WeakPolarHBondContact O-CG1 3.26Å; K339-I343 PolarHBondContact O-N 3.05Å; K339-E390 WeakPolarHBondContact CE-OE2 3.4Å; K339-E390 IonicContact NZ-OE1 3.01Å; K339-E390 PolarHBondContact NZ-OE1 3.38Å; K339-E390 IonicContact NZ-OE2 2.8Å; K339-E390 PolarHBondContact NZ-OE2 2.98Å
340	P	89.1	Confident	89.2	Confident	60 Å²	60	80.4 Å²	80.4	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-42.9	-179.8	-25.1	35.9	0	0	0	113	R335 K342 I343 E344	R335-P340 WeakPolarHBondContact O-CD 3.46Å; P340-K342 VanDerWaalsContact C-N 3.28Å; P340-K342 PolarHBondContact O-N 2.94Å; P340-I343 WeakPolarHBondContact O-CB 3.46Å; P340-I343 PolarHBondContact O-N 3.33Å; P340-E344 PolarHBondContact O-N 3.03Å; P340-E344 VanDerWaalsContact O-N 3.11Å
341	L	89.5	Confident	88.6	Confident	103 Å²	103	78 Å²	78	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-37.3	177.1	-64.7	172.4	0	0	0	111.4	E338 K339 E344 Q345	E338-L341 PolarHBondContact O-N 3.36Å; K339-L341 VanDerWaalsContact C-N 3.35Å; K339-L341 PolarHBondContact O-N 2.72Å; L341-E344 PolarHBondContact O-N 2.9Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.62Å
342	K	91.9	Very high	88.2	Confident	22 Å²	22	79 Å²	79	10%	0.096	36%	0.357	C	S	.	.	H	α-helix	trans	-74.8	-29.1	178.7	-64.3	-61.3	-173.7	172.9	0	113.3	D300 L301 W304 E338 K339 P340 Q345 K346 W383	D300-K342 IonicContact OD1-NZ 3.24Å; D300-K342 IonicContact OD2-NZ 2.92Å; D300-K342 PolarHBondContact OD2-NZ 3.3Å; L301-K342 HydrophobicContact CD1-CB 4.15Å; L301-K342 HydrophobicContact CD1-CD 4.17Å; W304-K342 HydrophobicContact CD2-CB 4.37Å; W304-K342 HydrophobicContact CD2-CD 4.18Å; W304-K342 HydrophobicContact CD2-CG 3.68Å; W304-K342 HydrophobicContact CE3-CB 4.15Å; W304-K342 HydrophobicContact CE3-CG 3.96Å; W304-K342 HydrophobicContact CG-CD 4.21Å; W304-K342 HydrophobicContact CG-CG 4.18Å; W304-K342 HydrophobicContact CH2-CB 3.98Å; W304-K342 HydrophobicContact CH2-CG 4.09Å; W304-K342 HydrophobicContact CZ2-CB 4.18Å; W304-K342 HydrophobicContact CZ2-CG 3.8Å; W304-K342 HydrophobicContact CZ3-CB 3.95Å; W304-K342 HydrophobicContact CZ3-CG 4.16Å; E338-K342 PolarHBondContact O-N 2.84Å; K339-K342 PolarHBondContact O-N 3.48Å; K339-K342 VanDerWaalsContact O-N 3.13Å; P340-K342 VanDerWaalsContact C-N 3.28Å; P340-K342 PolarHBondContact O-N 2.94Å; K342-Q345 PolarHBondContact O-N 3.32Å; K342-K346 WeakPolarHBondContact O-CB 3.35Å; K342-K346 PolarHBondContact O-N 3.48Å; K342-W383 HydrophobicContact CB-CH2 4.21Å; K342-W383 HydrophobicContact CB-CZ3 4.29Å
343	I	90.3	Very high	88	Confident	88 Å²	88	73.6 Å²	73.6	45%	0.451	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-46.2	168.5	-68.8	164.7	0	0	0	110	K339 P340 K346 G347 W383	K339-I343 HydrophobicContact CG-CD1 4.04Å; K339-I343 HydrophobicContact CG-CG1 4.4Å; K339-I343 WeakPolarHBondContact O-CG1 3.26Å; K339-I343 PolarHBondContact O-N 3.05Å; P340-I343 WeakPolarHBondContact O-CB 3.46Å; P340-I343 PolarHBondContact O-N 3.33Å; I343-K346 PolarHBondContact O-N 3.32Å; I343-G347 PolarHBondContact O-N 2.94Å; I343-W383 HydrophobicContact CG1-CH2 3.88Å; I343-W383 HydrophobicContact CG1-CZ2 3.55Å
344	E	86.3	Confident	87.5	Confident	135 Å²	135	72 Å²	72	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-61.4	-44.6	176.5	-169.9	-173.7	161.5	0	0	111.2	P340 L341 K346 G347 R348	P340-E344 PolarHBondContact O-N 3.03Å; P340-E344 VanDerWaalsContact O-N 3.11Å; L341-E344 PolarHBondContact O-N 2.9Å; E344-K346 PolarHBondContact O-N 3.27Å; E344-G347 PolarHBondContact O-N 3.49Å; E344-R348 WeakPolarHBondContact O-CB 3.32Å; E344-R348 PolarHBondContact O-N 3.05Å
345	Q	89.6	Confident	86.9	Confident	58 Å²	58	73.5 Å²	73.5	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-41.4	175.5	-73.3	-178.9	0.8	0	0	112.8	L341 K342 R348 L349	L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.62Å; K342-Q345 PolarHBondContact O-N 3.32Å; Q345-R348 PolarHBondContact O-N 3.49Å; Q345-L349 VanDerWaalsContact O-CB 3.27Å; Q345-L349 WeakPolarHBondContact O-CB 3.4Å; Q345-L349 PolarHBondContact O-N 2.94Å
346	K	89.9	Confident	86.4	Confident	28 Å²	28	67.7 Å²	67.7	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-47.1	174.1	-179.5	-170.4	179.8	-70.2	0	111.1	L301 K342 I343 E344 L349 E350 N380 W383	L301-K346 HydrophobicContact CD2-CB 3.95Å; L301-K346 HydrophobicContact CD2-CG 4.31Å; K342-K346 WeakPolarHBondContact O-CB 3.35Å; K342-K346 PolarHBondContact O-N 3.48Å; I343-K346 PolarHBondContact O-N 3.32Å; E344-K346 PolarHBondContact O-N 3.27Å; K346-L349 WeakPolarHBondContact O-CB 3.42Å; K346-L349 PolarHBondContact O-N 2.89Å; K346-E350 IonicContact NZ-OE1 3.56Å; K346-E350 PolarHBondContact NZ-OE1 3.18Å; K346-E350 IonicContact NZ-OE2 2.67Å; K346-E350 PolarHBondContact O-N 3.34Å; K346-N380 WeakPolarHBondContact CE-OD1 3.21Å; K346-N380 PolarHBondContact NZ-OD1 3.2Å; K346-W383 HydrophobicContact CD-CB 4.48Å; K346-W383 HydrophobicContact CD-CD2 3.75Å; K346-W383 HydrophobicContact CD-CE3 4.15Å; K346-W383 HydrophobicContact CD-CG 3.87Å
347	G	84.6	Confident	86.2	Confident	29 Å²	29	60.7 Å²	60.7	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-45.2	177	0	0	0	0	0	111.8	I343 E344 L349 E350 T351	I343-G347 PolarHBondContact O-N 2.94Å; E344-G347 PolarHBondContact O-N 3.49Å; G347-L349 VanDerWaalsContact C-N 3.32Å; G347-L349 PolarHBondContact O-N 3.2Å; G347-E350 PolarHBondContact O-N 3.49Å; G347-T351 PolarHBondContact O-N 2.98Å; G347-T351 PolarHBondContact O-OG1 3.25Å
348	R	85.1	Confident	85.5	Confident	162 Å²	162	53.4 Å²	53.4	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-61.6	-39.5	176.6	-167.4	177	-175.4	-178.5	0.2	112.2	E344 Q345 T351 S352	E344-R348 WeakPolarHBondContact O-CB 3.32Å; E344-R348 PolarHBondContact O-N 3.05Å; Q345-R348 PolarHBondContact O-N 3.49Å; R348-T351 PolarHBondContact O-N 3.22Å; R348-S352 WeakPolarHBondContact O-CB 2.78Å; R348-S352 PolarHBondContact O-N 3.16Å; R348-S352 PolarHBondContact O-OG 3.06Å; R348-S352 VanDerWaalsContact O-OG 3.14Å
349	L	88.6	Confident	84.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-44.8	176.6	-178.9	154.2	0	0	0	111.7	Y294 L297 A298 L301 Q345 K346 G347 S352 F353 I379	Y294-L349 HydrophobicContact CD2-CD2 4.13Å; Y294-L349 HydrophobicContact CD2-CG 3.93Å; Y294-L349 HydrophobicContact CE2-CD1 4.49Å; Y294-L349 HydrophobicContact CE2-CD2 3.36Å; Y294-L349 HydrophobicContact CE2-CG 3.67Å; L297-L349 HydrophobicContact CB-CD1 4.08Å; A298-L349 VanDerWaalsContact CA-CD1 3.42Å; A298-L349 HydrophobicContact CB-CD1 3.8Å; L301-L349 HydrophobicContact CD2-CD1 4.43Å; Q345-L349 VanDerWaalsContact O-CB 3.27Å; Q345-L349 WeakPolarHBondContact O-CB 3.4Å; Q345-L349 PolarHBondContact O-N 2.94Å; K346-L349 WeakPolarHBondContact O-CB 3.42Å; K346-L349 PolarHBondContact O-N 2.89Å; G347-L349 VanDerWaalsContact C-N 3.32Å; G347-L349 PolarHBondContact O-N 3.2Å; L349-S352 PolarHBondContact O-N 2.7Å; L349-F353 WeakPolarHBondContact O-CB 3.15Å; L349-F353 PolarHBondContact O-N 2.83Å; L349-I379 HydrophobicContact CD1-CD1 3.91Å; L349-I379 HydrophobicContact CD2-CD1 3.6Å; L349-I379 HydrophobicContact CG-CD1 4.43Å
350	E	85.4	Confident	84.2	Confident	51 Å²	51	51 Å²	51	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-43.2	175.1	-73.1	174	169.6	0	0	111.3	K346 G347 F353 N354 I376 N380	K346-E350 IonicContact NZ-OE1 3.56Å; K346-E350 PolarHBondContact NZ-OE1 3.18Å; K346-E350 IonicContact NZ-OE2 2.67Å; K346-E350 PolarHBondContact O-N 3.34Å; G347-E350 PolarHBondContact O-N 3.49Å; E350-F353 PolarHBondContact O-N 2.53Å; E350-N354 PolarHBondContact O-N 2.67Å; E350-N354 VanDerWaalsContact O-N 3.08Å; E350-N354 PolarHBondContact O-ND2 3.42Å; E350-I376 HydrophobicContact CG-CG2 4.37Å; E350-N380 PolarHBondContact OE1-ND2 3.42Å; E350-N380 VanDerWaalsContact OE1-ND2 3.12Å; E350-N380 PolarHBondContact OE1-OD1 3.15Å
351	T	79.6	Confident	83.4	Confident	39 Å²	39	51 Å²	51	24%	0.239	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-52.1	174.4	-56.8	0	0	0	0	111.9	G347 R348 F353 N354 T355 N745	G347-T351 PolarHBondContact O-N 2.98Å; G347-T351 PolarHBondContact O-OG1 3.25Å; R348-T351 PolarHBondContact O-N 3.22Å; T351-F353 VanDerWaalsContact C-N 3.28Å; T351-F353 PolarHBondContact O-N 3.31Å; T351-N354 PolarHBondContact O-N 3.35Å; T351-N354 VanDerWaalsContact O-N 3.11Å; T351-T355 PolarHBondContact O-N 3.2Å; T351-T355 PolarHBondContact O-OG1 2.89Å; T351-T355 VanDerWaalsContact O-OG1 3.09Å; T351-N745 WeakPolarHBondContact CG2-ND2 3.43Å; T351-N745 WeakPolarHBondContact CG2-OD1 3.44Å; T351-N745 PolarHBondContact OG1-ND2 3.3Å
352	S	82.8	Confident	82.4	Confident	26 Å²	26	47.5 Å²	47.5	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-39.9	-179.4	-73.5	0	0	0	0	112.2	R348 L349 L356	R348-S352 WeakPolarHBondContact O-CB 2.78Å; R348-S352 PolarHBondContact O-N 3.16Å; R348-S352 PolarHBondContact O-OG 3.06Å; R348-S352 VanDerWaalsContact O-OG 3.14Å; L349-S352 PolarHBondContact O-N 2.7Å; S352-L356 VanDerWaalsContact O-CB 3.24Å; S352-L356 WeakPolarHBondContact O-CB 3.33Å; S352-L356 PolarHBondContact O-N 3.07Å
353	F	85.6	Confident	81.4	Confident	35 Å²	35	48 Å²	48	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-47.5	174.5	-178.4	-93.9	0	0	0	112.2	Y294 L349 E350 T351 T355 L356 Q357 Y368 P370 I376	Y294-F353 HydrophobicContact CD2-CB 3.84Å; Y294-F353 HydrophobicContact CD2-CD2 4.17Å; Y294-F353 HydrophobicContact CE2-CB 3.65Å; Y294-F353 AromaticContact CE2-CD2 3.77Å; Y294-F353 HydrophobicContact CE2-CD2 3.77Å; Y294-F353 HydrophobicContact CE2-CG 4.07Å; L349-F353 WeakPolarHBondContact O-CB 3.15Å; L349-F353 PolarHBondContact O-N 2.83Å; E350-F353 PolarHBondContact O-N 2.53Å; T351-F353 VanDerWaalsContact C-N 3.28Å; T351-F353 PolarHBondContact O-N 3.31Å; F353-T355 VanDerWaalsContact C-N 3.32Å; F353-T355 PolarHBondContact O-N 2.77Å; F353-L356 PolarHBondContact O-N 3.42Å; F353-Q357 VanDerWaalsContact O-CB 3.27Å; F353-Q357 WeakPolarHBondContact O-CB 3.38Å; F353-Q357 PolarHBondContact O-N 3.19Å; F353-Y368 HydrophobicContact CD2-CD1 4.04Å; F353-Y368 HydrophobicContact CD2-CE1 4.35Å; F353-Y368 AromaticContact CE2-CD1 3.88Å; F353-Y368 HydrophobicContact CE2-CD1 3.88Å; F353-Y368 HydrophobicContact CE2-CE1 4.4Å; F353-P370 HydrophobicContact CD2-CG 4.32Å; F353-P370 HydrophobicContact CE2-CG 3.8Å; F353-I376 HydrophobicContact CB-CD1 3.69Å; F353-I376 HydrophobicContact CB-CG1 4.44Å; F353-I376 HydrophobicContact CD1-CD1 3.17Å; F353-I376 HydrophobicContact CD1-CG1 4.16Å; F353-I376 HydrophobicContact CD2-CD1 4.26Å; F353-I376 HydrophobicContact CE1-CD1 3.8Å; F353-I376 HydrophobicContact CG-CD1 3.43Å; F353-I376 VanDerWaalsContact CG-CD1 3.43Å; F353-I376 HydrophobicContact CG-CG1 4.11Å
354	N	79.2	Confident	80.5	Confident	76 Å²	76	46.1 Å²	46.1	41%	0.406	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-42.2	179.6	-71.8	-18.3	0	0	0	111.7	E350 T351 Q357 T358	E350-N354 PolarHBondContact O-N 2.67Å; E350-N354 VanDerWaalsContact O-N 3.08Å; E350-N354 PolarHBondContact O-ND2 3.42Å; T351-N354 PolarHBondContact O-N 3.35Å; T351-N354 VanDerWaalsContact O-N 3.11Å; N354-Q357 PolarHBondContact O-N 3.3Å; N354-T358 WeakPolarHBondContact O-CB 3.48Å; N354-T358 PolarHBondContact O-N 2.68Å; N354-T358 PolarHBondContact O-OG1 3.46Å
355	T	79.3	Confident	79.9	Confident	34 Å²	34	40.4 Å²	40.4	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-46	175.8	-55.6	0	0	0	0	111.4	T351 F353 T358 K359 N749 I752	T351-T355 PolarHBondContact O-N 3.2Å; T351-T355 PolarHBondContact O-OG1 2.89Å; T351-T355 VanDerWaalsContact O-OG1 3.09Å; F353-T355 VanDerWaalsContact C-N 3.32Å; F353-T355 PolarHBondContact O-N 2.77Å; T355-T358 PolarHBondContact O-N 2.96Å; T355-K359 PolarHBondContact O-N 3.07Å; T355-N749 PolarHBondContact OG1-OD1 3.47Å; T355-I752 HydrophobicContact CG2-CD1 4.23Å
356	L	83.3	Confident	79.3	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-45.5	177.1	173.9	60	0	0	0	111.8	N287 L290 M291 S352 F353 T358 K359 L360 Y368	N287-L356 HydrophobicContact CB-CD1 4.43Å; L290-L356 HydrophobicContact CB-CD1 3.83Å; L290-L356 HydrophobicContact CB-CD2 4.37Å; L290-L356 HydrophobicContact CB-CG 4.47Å; L290-L356 HydrophobicContact CD1-CD1 4.29Å; M291-L356 HydrophobicContact CB-CD2 4.34Å; M291-L356 HydrophobicContact CG-CD1 4.34Å; M291-L356 HydrophobicContact CG-CD2 3.65Å; S352-L356 VanDerWaalsContact O-CB 3.24Å; S352-L356 WeakPolarHBondContact O-CB 3.33Å; S352-L356 PolarHBondContact O-N 3.07Å; F353-L356 PolarHBondContact O-N 3.42Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 2.98Å; L356-K359 PolarHBondContact O-N 2.92Å; L356-L360 HydrophobicContact CD1-CD1 3.81Å; L356-L360 HydrophobicContact CD1-CG 4.01Å; L356-L360 HydrophobicContact CG-CD1 3.88Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 3.5Å; L356-Y368 HydrophobicContact CD2-CD1 3.61Å; L356-Y368 HydrophobicContact CD2-CE1 4.15Å; L356-Y368 HydrophobicContact CD2-CG 3.9Å
357	Q	81.8	Confident	78.8	Confident	47 Å²	47	42.5 Å²	42.5	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-44.4	178.2	-162.8	70	10.3	0	0	110.6	F353 N354 R361 A367 Y368	F353-Q357 VanDerWaalsContact O-CB 3.27Å; F353-Q357 WeakPolarHBondContact O-CB 3.38Å; F353-Q357 PolarHBondContact O-N 3.19Å; N354-Q357 PolarHBondContact O-N 3.3Å; Q357-R361 WeakPolarHBondContact O-CB 3.39Å; Q357-R361 PolarHBondContact O-N 2.83Å; Q357-A367 VanDerWaalsContact NE2-CB 3.25Å; Q357-Y368 PolarHBondContact OE1-O 2.97Å
358	T	73.4	Confident	78.8	Confident	16 Å²	16	42.3 Å²	42.3	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-44.9	176.5	-57	0	0	0	0	111.6	N354 T355 L356 L360 R361 L362 L753	N354-T358 WeakPolarHBondContact O-CB 3.48Å; N354-T358 PolarHBondContact O-N 2.68Å; N354-T358 PolarHBondContact O-OG1 3.46Å; T355-T358 PolarHBondContact O-N 2.96Å; L356-T358 VanDerWaalsContact C-N 3.29Å; L356-T358 PolarHBondContact O-N 2.98Å; T358-L360 PolarHBondContact O-N 3.48Å; T358-R361 WeakPolarHBondContact O-CB 3.4Å; T358-R361 PolarHBondContact O-N 3.11Å; T358-L362 HydrophobicContact CG2-CD1 3.91Å; T358-L362 HydrophobicContact CG2-CG 4.42Å; T358-L362 VanDerWaalsContact O-CG 3.29Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.49Å; T358-L753 HydrophobicContact CG2-CD2 4.34Å; T358-L753 HydrophobicContact CG2-CG 4.45Å
359	K	75.8	Confident	78.8	Confident	57 Å²	57	41.4 Å²	41.4	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.5	-96.2	-165.2	170	-166.9	0	112.5	E286 L290 T355 L356 R361 L362 S363	E286-K359 IonicContact OE2-NZ 3.18Å; E286-K359 PolarHBondContact OE2-NZ 3.24Å; L290-K359 HydrophobicContact CD1-CD 4.04Å; T355-K359 PolarHBondContact O-N 3.07Å; L356-K359 PolarHBondContact O-N 2.92Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-R361 PolarHBondContact O-N 2.84Å; K359-L362 PolarHBondContact O-N 3.32Å; K359-S363 PolarHBondContact O-N 3.49Å; K359-S363 PolarHBondContact O-OG 2.94Å
360	L	78	Confident	78.7	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-44.8	179.6	-73.2	165	0	0	0	111.1	N287 M291 L356 T358 L362 S363 N364 R365 Y368	N287-L360 HydrophobicContact CB-CD2 4Å; M291-L360 HydrophobicContact CE-CD1 4.12Å; M291-L360 HydrophobicContact CE-CD2 3.88Å; L356-L360 HydrophobicContact CD1-CD1 3.81Å; L356-L360 HydrophobicContact CD1-CG 4.01Å; L356-L360 HydrophobicContact CG-CD1 3.88Å; L356-L360 WeakPolarHBondContact O-CG 3.49Å; L356-L360 PolarHBondContact O-N 3.5Å; T358-L360 PolarHBondContact O-N 3.48Å; L360-L362 PolarHBondContact O-N 3.49Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 PolarHBondContact O-N 3.3Å; L360-S363 VanDerWaalsContact O-N 3.16Å; L360-S363 PolarHBondContact O-OG 3.5Å; L360-N364 PolarHBondContact O-N 2.81Å; L360-R365 HydrophobicContact CB-CB 4.12Å; L360-R365 HydrophobicContact CD2-CB 3.54Å; L360-R365 HydrophobicContact CD2-CG 4.15Å; L360-R365 HydrophobicContact CG-CB 4.47Å; L360-R365 WeakPolarHBondContact O-CB 3.37Å; L360-R365 PolarHBondContact O-N 3.28Å; L360-Y368 VanDerWaalsContact CD1-CB 3.46Å
361	R	71.7	Confident	78.8	Confident	61 Å²	61	41.8 Å²	41.8	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-46.5	178.7	-164.5	174.3	76.5	-162.3	4.8	112	Q357 T358 K359 S363 N364 D830	Q357-R361 WeakPolarHBondContact O-CB 3.39Å; Q357-R361 PolarHBondContact O-N 2.83Å; T358-R361 WeakPolarHBondContact O-CB 3.4Å; T358-R361 PolarHBondContact O-N 3.11Å; K359-R361 VanDerWaalsContact C-N 3.33Å; K359-R361 PolarHBondContact O-N 2.84Å; R361-S363 VanDerWaalsContact C-N 3.25Å; R361-S363 PolarHBondContact O-N 3.03Å; R361-N364 PolarHBondContact O-N 2.93Å; R361-D830 VanDerWaalsContact CD-OD1 3.26Å; R361-D830 WeakPolarHBondContact CD-OD1 3.44Å; R361-D830 WeakPolarHBondContact CD-OD2 3.31Å; R361-D830 VanDerWaalsContact CG-OD1 3.3Å; R361-D830 WeakPolarHBondContact CG-OD1 3.37Å; R361-D830 WeakPolarHBondContact CG-OD2 3.09Å; R361-D830 IonicContact CZ-OD1 2.67Å; R361-D830 IonicContact NE-OD1 3.79Å; R361-D830 PolarHBondContact NE-OD1 3.38Å; R361-D830 IonicContact NE-OD2 3.83Å; R361-D830 PolarHBondContact NE-OD2 3.14Å; R361-D830 IonicContact NH2-OD1 3.57Å
362	L	68.4	Low	78.9	Confident	29 Å²	29	49.5 Å²	49.5	15%	0.152	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-21.9	177.4	-70.8	168.2	0	0	0	114.5	T358 K359 L360 L753 A757 M839	T358-L362 HydrophobicContact CG2-CD1 3.91Å; T358-L362 HydrophobicContact CG2-CG 4.42Å; T358-L362 VanDerWaalsContact O-CG 3.29Å; T358-L362 WeakPolarHBondContact O-CG 3.43Å; T358-L362 PolarHBondContact O-N 3.49Å; K359-L362 PolarHBondContact O-N 3.32Å; L360-L362 PolarHBondContact O-N 3.49Å; L362-L753 HydrophobicContact CD1-CD2 3.62Å; L362-L753 HydrophobicContact CD1-CG 4.38Å; L362-L753 HydrophobicContact CD2-CD2 3.53Å; L362-L753 HydrophobicContact CG-CD2 4.01Å; L362-A757 HydrophobicContact CD1-CB 4.27Å; L362-A757 HydrophobicContact CD2-CB 4.17Å; L362-M839 WeakPolarHBondContact O-CE 3.47Å
363	S	70.6	Confident	79	Confident	32 Å²	32	50.1 Å²	50.1	22%	0.224	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	13.8	178.1	43.1	0	0	0	0	112.9	K359 L360 R361 R365	K359-S363 PolarHBondContact O-N 3.49Å; K359-S363 PolarHBondContact O-OG 2.94Å; L360-S363 CarbonylContact O-C 3.55Å; L360-S363 PolarHBondContact O-N 3.3Å; L360-S363 VanDerWaalsContact O-N 3.16Å; L360-S363 PolarHBondContact O-OG 3.5Å; R361-S363 VanDerWaalsContact C-N 3.25Å; R361-S363 PolarHBondContact O-N 3.03Å; S363-R365 PolarHBondContact O-N 3.35Å
364	N	71.2	Confident	79.2	Confident	48 Å²	48	50.4 Å²	50.4	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.9	-176	-114.1	0.4	0	0	0	112.8	L360 R361 R834 M839	L360-N364 PolarHBondContact O-N 2.81Å; R361-N364 PolarHBondContact O-N 2.93Å; N364-R834 PolarHBondContact OD1-NE 3.39Å; N364-R834 VanDerWaalsContact OD1-NE 3.11Å; N364-R834 PolarHBondContact OD1-NH2 3.06Å; N364-M839 HydrophobicContact CB-CE 3.65Å; N364-M839 HydrophobicContact CB-SD 4.08Å; N364-M839 VanDerWaalsContact CG-SD 3.56Å; N364-M839 PolarHBondContact ND2-SD 3.23Å; N364-M839 VanDerWaalsContact ND2-SD 3.38Å
365	R	74.6	Confident	79.6	Confident	16 Å²	16	50.4 Å²	50.4	6%	0.06	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-92.1	151.2	174.8	-61.6	-69.4	174.6	-135.9	-12.9	109.8	V280 L360 S363 L902 Y903	V280-R365 VanDerWaalsContact CG1-NH2 3.27Å; L360-R365 HydrophobicContact CB-CB 4.12Å; L360-R365 HydrophobicContact CD2-CB 3.54Å; L360-R365 HydrophobicContact CD2-CG 4.15Å; L360-R365 HydrophobicContact CG-CB 4.47Å; L360-R365 WeakPolarHBondContact O-CB 3.37Å; L360-R365 PolarHBondContact O-N 3.28Å; S363-R365 PolarHBondContact O-N 3.35Å; R365-L902 WeakPolarHBondContact CD-O 3Å; R365-L902 PolarHBondContact NH1-O 3.06Å; R365-Y903 VanDerWaalsContact NH2-CZ 3.31Å; R365-Y903 PolarHBondContact NH2-OH 3.48Å
366	P	77.5	Confident	80	Confident	64 Å²	64	50.6 Å²	50.6	42%	0.416	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58.4	143.7	174.5	20.5	-29	0	0	0	111.1	Y368	P366-Y368 PolarHBondContact O-N 2.89Å
367	A	79.2	Confident	80.1	Confident	66 Å²	66	58 Å²	58	55%	0.545	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-55.7	136	177.5	0	0	0	0	0	111	Q357 L369	Q357-A367 VanDerWaalsContact NE2-CB 3.25Å; A367-L369 PolarHBondContact O-N 2.99Å
368	Y	83.4	Confident	80.4	Confident	25 Å²	25	58.6 Å²	58.6	10%	0.098	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.2	122.7	174.5	173.5	-119.3	0	0	0	109.7	M291 Y294 E295 F353 L356 Q357 L360 P366 P370	M291-Y368 HydrophobicContact CB-CD2 4.17Å; M291-Y368 HydrophobicContact CB-CE2 3.8Å; M291-Y368 HydrophobicContact CG-CD2 3.48Å; M291-Y368 VanDerWaalsContact CG-CD2 3.48Å; M291-Y368 HydrophobicContact CG-CE2 3.66Å; M291-Y368 HydrophobicContact CG-CG 3.96Å; M291-Y368 HydrophobicContact SD-CD2 3.68Å; M291-Y368 HydrophobicContact SD-CE2 4.06Å; M291-Y368 HydrophobicContact SD-CG 4.5Å; Y294-Y368 AromaticContact CD1-CE1 3.64Å; Y294-Y368 HydrophobicContact CD1-CE1 3.64Å; Y294-Y368 HydrophobicContact CE1-CE1 4.13Å; Y294-Y368 HydrophobicContact CG-CE1 4.08Å; E295-Y368 WeakPolarHBondContact CG-OH 3.48Å; F353-Y368 HydrophobicContact CD2-CD1 4.04Å; F353-Y368 HydrophobicContact CD2-CE1 4.35Å; F353-Y368 AromaticContact CE2-CD1 3.88Å; F353-Y368 HydrophobicContact CE2-CD1 3.88Å; F353-Y368 HydrophobicContact CE2-CE1 4.4Å; L356-Y368 HydrophobicContact CD2-CD1 3.61Å; L356-Y368 HydrophobicContact CD2-CE1 4.15Å; L356-Y368 HydrophobicContact CD2-CG 3.9Å; Q357-Y368 PolarHBondContact OE1-O 2.97Å; L360-Y368 VanDerWaalsContact CD1-CB 3.46Å; P366-Y368 PolarHBondContact O-N 2.89Å; Y368-P370 HydrophobicContact CD1-CG 4.24Å; Y368-P370 HydrophobicContact CE1-CB 4.34Å; Y368-P370 HydrophobicContact CE1-CG 3.74Å
369	L	84.5	Confident	81.2	Confident	143 Å²	143	57.9 Å²	57.9	75%	0.749	31%	0.312	S	S	*	.			trans	-109.4	111.5	171.9	-152.5	83.2	0	0	0	108.1	A367	A367-L369 PolarHBondContact O-N 2.99Å
370	P	86.8	Confident	81.9	Confident	11 Å²	11	57.2 Å²	57.2	7%	0.071	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-56.4	155.2	174.5	-27.4	36.2	0	0	0	112.5	Y294 F353 Y368 K374	Y294-P370 HydrophobicContact CD1-CG 4.41Å; Y294-P370 HydrophobicContact CE1-CB 3.73Å; Y294-P370 HydrophobicContact CE1-CG 3.6Å; F353-P370 HydrophobicContact CD2-CG 4.32Å; F353-P370 HydrophobicContact CE2-CG 3.8Å; Y368-P370 HydrophobicContact CD1-CG 4.24Å; Y368-P370 HydrophobicContact CE1-CB 4.34Å; Y368-P370 HydrophobicContact CE1-CG 3.74Å; P370-K374 HydrophobicContact CB-CB 4.22Å; P370-K374 WeakPolarHBondContact CB-O 2.89Å
371	S	88.6	Confident	82.6	Confident	49 Å²	49	58.7 Å²	58.7	34%	0.343	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.9	154.4	173.5	56.4	0	0	0	0	112.3	E295 G373 K374	E295-S371 VanDerWaalsContact CD-OG 3.31Å; E295-S371 VanDerWaalsContact OE1-CB 3.26Å; E295-S371 WeakPolarHBondContact OE1-CB 3Å; E295-S371 PolarHBondContact OE1-N 3.34Å; E295-S371 PolarHBondContact OE1-OG 3.47Å; E295-S371 PolarHBondContact OE2-OG 3.09Å; S371-G373 PolarHBondContact O-N 3.34Å; S371-K374 WeakPolarHBondContact O-CB 3.46Å; S371-K374 PolarHBondContact O-N 3.36Å; S371-K374 WeakPolarHBondContact OG-CD 3.46Å
372	E	82.2	Confident	83.7	Confident	201 Å²	201	56.9 Å²	56.9	94%	0.939	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	128	-173.7	-127	-174.2	174	0	0	111.8	K374	E372-K374 VanDerWaalsContact C-N 3.32Å
373	G	83.6	Confident	84.9	Confident	38 Å²	38	56.5 Å²	56.5	39%	0.392	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-0	-176.7	0	0	0	0	0	115.4	L302 S371 D378	L302-G373 WeakPolarHBondContact CD1-O 3.33Å; S371-G373 PolarHBondContact O-N 3.34Å; G373-D378 VanDerWaalsContact CA-OD2 3.27Å; G373-D378 WeakPolarHBondContact CA-OD2 3.37Å
374	K	89.5	Confident	85.9	Confident	42 Å²	42	59 Å²	59	18%	0.183	33%	0.332	C	S	.	.			trans	-110.8	14.9	174.1	-57.7	-170	-170.8	166.4	0	113.1	Y294 E295 A298 S299 L302 P370 S371 E372	Y294-K374 PolarHBondContact OH-O 2.81Å; E295-K374 WeakPolarHBondContact OE2-CD 3.37Å; E295-K374 IonicContact OE2-NZ 2.63Å; E295-K374 PolarHBondContact OE2-NZ 2.76Å; A298-K374 HydrophobicContact CB-CB 4.21Å; A298-K374 HydrophobicContact CB-CD 4.12Å; A298-K374 HydrophobicContact CB-CG 4.42Å; S299-K374 VanDerWaalsContact OG-CE 3.3Å; S299-K374 WeakPolarHBondContact OG-CE 3.25Å; S299-K374 PolarHBondContact OG-NZ 2.9Å; L302-K374 HydrophobicContact CD1-CG 3.9Å; P370-K374 HydrophobicContact CB-CB 4.22Å; P370-K374 WeakPolarHBondContact CB-O 2.89Å; S371-K374 WeakPolarHBondContact O-CB 3.46Å; S371-K374 PolarHBondContact O-N 3.36Å; S371-K374 WeakPolarHBondContact OG-CD 3.46Å; E372-K374 VanDerWaalsContact C-N 3.32Å
375	M	87.3	Confident	87	Confident	76 Å²	76	59.7 Å²	59.7	37%	0.374	34%	0.341	S	S	.	.	S	Bend	trans	-66.5	151.2	172.1	-60	-166.2	-71.2	0	0	109.9	Q377 D378 I379	M375-Q377 PolarHBondContact O-N 3.15Å; M375-Q377 VanDerWaalsContact O-N 3.11Å; M375-D378 WeakPolarHBondContact CB-OD2 3.36Å; M375-D378 PolarHBondContact N-OD2 3.25Å; M375-D378 WeakPolarHBondContact O-CB 3.3Å; M375-D378 PolarHBondContact O-N 3.29Å; M375-I379 WeakPolarHBondContact O-CG1 3.26Å; M375-I379 PolarHBondContact O-N 3.34Å
376	I	87.8	Confident	87.9	Confident	37 Å²	37	59 Å²	59	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-52.2	-37.5	175.5	-71.7	-174.5	0	0	0	111.4	Y294 E350 F353 I379 N380	Y294-I376 HydrophobicContact CE2-CG1 4.42Å; E350-I376 HydrophobicContact CG-CG2 4.37Å; F353-I376 HydrophobicContact CB-CD1 3.69Å; F353-I376 HydrophobicContact CB-CG1 4.44Å; F353-I376 HydrophobicContact CD1-CD1 3.17Å; F353-I376 HydrophobicContact CD1-CG1 4.16Å; F353-I376 HydrophobicContact CD2-CD1 4.26Å; F353-I376 HydrophobicContact CE1-CD1 3.8Å; F353-I376 HydrophobicContact CG-CD1 3.43Å; F353-I376 VanDerWaalsContact CG-CD1 3.43Å; F353-I376 HydrophobicContact CG-CG1 4.11Å; I376-I379 PolarHBondContact O-N 3.35Å; I376-N380 VanDerWaalsContact CG2-ND2 3.29Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.49Å; I376-N380 WeakPolarHBondContact O-CB 3.35Å; I376-N380 PolarHBondContact O-N 3.43Å; I376-N380 PolarHBondContact O-ND2 3.49Å
377	Q	86.2	Confident	88.6	Confident	157 Å²	157	58.7 Å²	58.7	73%	0.734	33%	0.333	S	S	*	.	H	α-helix	trans	-66.1	-40.2	178.8	-160.8	174.4	10.1	0	0	112	M375 N380 G381	M375-Q377 PolarHBondContact O-N 3.15Å; M375-Q377 VanDerWaalsContact O-N 3.11Å; Q377-N380 PolarHBondContact O-N 3.41Å; Q377-G381 PolarHBondContact O-N 3.3Å
378	D	88.9	Confident	89.3	Confident	60 Å²	60	61.1 Å²	61.1	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-42.5	175.7	-59.9	-40	0	0	0	111.2	G373 M375 N380 G381 A382	G373-D378 VanDerWaalsContact CA-OD2 3.27Å; G373-D378 WeakPolarHBondContact CA-OD2 3.37Å; M375-D378 WeakPolarHBondContact CB-OD2 3.36Å; M375-D378 PolarHBondContact N-OD2 3.25Å; M375-D378 WeakPolarHBondContact O-CB 3.3Å; M375-D378 PolarHBondContact O-N 3.29Å; D378-N380 VanDerWaalsContact C-N 3.35Å; D378-N380 PolarHBondContact O-N 3.2Å; D378-G381 PolarHBondContact O-N 3.12Å; D378-A382 WeakPolarHBondContact O-CB 3.3Å; D378-A382 PolarHBondContact O-N 2.86Å
379	I	90.3	Very high	89.8	Confident	1 Å²	1	61 Å²	61	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-44	176.6	-64.5	168.9	0	0	0	110.1	A298 L301 L302 L349 M375 I376 A382 W383	A298-I379 HydrophobicContact CB-CD1 3.95Å; L301-I379 HydrophobicContact CD2-CG2 3.77Å; L302-I379 HydrophobicContact CD1-CG1 4.33Å; L302-I379 HydrophobicContact CD2-CG1 4.2Å; L302-I379 HydrophobicContact CG-CG1 4.32Å; L349-I379 HydrophobicContact CD1-CD1 3.91Å; L349-I379 HydrophobicContact CD2-CD1 3.6Å; L349-I379 HydrophobicContact CG-CD1 4.43Å; M375-I379 WeakPolarHBondContact O-CG1 3.26Å; M375-I379 PolarHBondContact O-N 3.34Å; I376-I379 PolarHBondContact O-N 3.35Å; I379-A382 PolarHBondContact O-N 3.28Å; I379-W383 VanDerWaalsContact O-CB 3.26Å; I379-W383 WeakPolarHBondContact O-CB 3.39Å; I379-W383 PolarHBondContact O-N 2.91Å
380	N	90.6	Very high	90.1	Very high	43 Å²	43	54.6 Å²	54.6	23%	0.23	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-40.2	174.9	-83.7	-52.1	0	0	0	112.1	K346 E350 I376 Q377 D378 W383 N384	K346-N380 WeakPolarHBondContact CE-OD1 3.21Å; K346-N380 PolarHBondContact NZ-OD1 3.2Å; E350-N380 PolarHBondContact OE1-ND2 3.42Å; E350-N380 VanDerWaalsContact OE1-ND2 3.12Å; E350-N380 PolarHBondContact OE1-OD1 3.15Å; I376-N380 VanDerWaalsContact CG2-ND2 3.29Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.49Å; I376-N380 WeakPolarHBondContact O-CB 3.35Å; I376-N380 PolarHBondContact O-N 3.43Å; I376-N380 PolarHBondContact O-ND2 3.49Å; Q377-N380 PolarHBondContact O-N 3.41Å; D378-N380 VanDerWaalsContact C-N 3.35Å; D378-N380 PolarHBondContact O-N 3.2Å; N380-W383 PolarHBondContact O-N 3.34Å; N380-N384 WeakPolarHBondContact O-CB 3.3Å; N380-N384 VanDerWaalsContact O-CG 3.23Å; N380-N384 PolarHBondContact O-N 3.47Å; N380-N384 PolarHBondContact O-ND2 3.08Å
381	G	92.1	Very high	90.3	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-44.3	173.4	0	0	0	0	0	112.7	Q377 D378 N384 S385	Q377-G381 PolarHBondContact O-N 3.3Å; D378-G381 PolarHBondContact O-N 3.12Å; G381-N384 PolarHBondContact O-N 3Å; G381-S385 WeakPolarHBondContact O-CB 3.27Å; G381-S385 PolarHBondContact O-N 3.43Å; G381-S385 PolarHBondContact O-OG 3.47Å
382	A	93.5	Very high	90.4	Very high	23 Å²	23	58.9 Å²	58.9	19%	0.19	32%	0.323	C	S	.	.	H	α-helix	trans	-65.1	-41.5	176.4	0	0	0	0	0	111.5	L302 I305 D378 I379 S385 L386	L302-A382 HydrophobicContact CD2-CB 3.89Å; I305-A382 HydrophobicContact CD1-CB 4.14Å; I305-A382 HydrophobicContact CG2-CB 4.16Å; D378-A382 WeakPolarHBondContact O-CB 3.3Å; D378-A382 PolarHBondContact O-N 2.86Å; I379-A382 PolarHBondContact O-N 3.28Å; A382-S385 WeakPolarHBondContact O-CB 3.25Å; A382-S385 PolarHBondContact O-N 3.29Å; A382-L386 PolarHBondContact O-N 2.86Å
383	W	93.8	Very high	90.9	Very high	20 Å²	20	49.3 Å²	49.3	8%	0.076	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-45.1	176.4	-170.4	-93.3	0	0	0	111.8	L301 W304 I305 K342 I343 K346 I379 N380 S385 L386 L387	L301-W383 HydrophobicContact CD1-CE3 4.44Å; L301-W383 HydrophobicContact CD1-CZ3 3.96Å; W304-W383 HydrophobicContact CE3-CZ3 4.45Å; W304-W383 HydrophobicContact CZ3-CH2 4.12Å; W304-W383 AromaticContact CZ3-CZ3 3.74Å; W304-W383 HydrophobicContact CZ3-CZ3 3.74Å; I305-W383 HydrophobicContact CD1-CE3 3.96Å; I305-W383 HydrophobicContact CG1-CE3 4.2Å; K342-W383 HydrophobicContact CB-CH2 4.21Å; K342-W383 HydrophobicContact CB-CZ3 4.29Å; I343-W383 HydrophobicContact CG1-CH2 3.88Å; I343-W383 HydrophobicContact CG1-CZ2 3.55Å; K346-W383 HydrophobicContact CD-CB 4.48Å; K346-W383 HydrophobicContact CD-CD2 3.75Å; K346-W383 HydrophobicContact CD-CE3 4.15Å; K346-W383 HydrophobicContact CD-CG 3.87Å; I379-W383 VanDerWaalsContact O-CB 3.26Å; I379-W383 WeakPolarHBondContact O-CB 3.39Å; I379-W383 PolarHBondContact O-N 2.91Å; N380-W383 PolarHBondContact O-N 3.34Å; W383-S385 VanDerWaalsContact C-N 3.3Å; W383-S385 PolarHBondContact O-N 3.22Å; W383-L386 HydrophobicContact CE3-CD2 4.45Å; W383-L386 HydrophobicContact CZ3-CD2 4.42Å; W383-L386 VanDerWaalsContact O-CB 3.29Å; W383-L386 WeakPolarHBondContact O-CB 3.36Å; W383-L386 PolarHBondContact O-N 3.34Å; W383-L386 VanDerWaalsContact O-N 3.13Å; W383-L387 WeakPolarHBondContact O-CG 3.24Å; W383-L387 PolarHBondContact O-N 2.99Å
384	N	92.8	Very high	91.2	Very high	86 Å²	86	50.5 Å²	50.5	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-37.3	175.1	-73.9	-28	0	0	0	111.9	N380 G381 L386 L387 N388	N380-N384 WeakPolarHBondContact O-CB 3.3Å; N380-N384 VanDerWaalsContact O-CG 3.23Å; N380-N384 PolarHBondContact O-N 3.47Å; N380-N384 PolarHBondContact O-ND2 3.08Å; G381-N384 PolarHBondContact O-N 3Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 2.99Å; N384-L387 PolarHBondContact O-N 2.95Å; N384-N388 WeakPolarHBondContact O-CB 3.35Å; N384-N388 PolarHBondContact O-N 2.96Å; N384-N388 PolarHBondContact O-ND2 3.25Å
385	S	93.6	Very high	91.3	Very high	62 Å²	62	53.5 Å²	53.5	43%	0.434	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-38.4	173.2	-59.8	0	0	0	0	112	G381 A382 W383 A389	G381-S385 WeakPolarHBondContact O-CB 3.27Å; G381-S385 PolarHBondContact O-N 3.43Å; G381-S385 PolarHBondContact O-OG 3.47Å; A382-S385 WeakPolarHBondContact O-CB 3.25Å; A382-S385 PolarHBondContact O-N 3.29Å; W383-S385 VanDerWaalsContact C-N 3.3Å; W383-S385 PolarHBondContact O-N 3.22Å; S385-A389 WeakPolarHBondContact O-CB 3.47Å; S385-A389 PolarHBondContact O-N 2.99Å
386	L	94	Very high	91.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-48	172.4	-174.1	75.4	0	0	0	111.3	W304 I305 W308 L309 F312 A382 W383 N384 N388 A389 E390	W304-L386 HydrophobicContact CE3-CD2 4.37Å; W304-L386 HydrophobicContact CH2-CD2 4Å; W304-L386 HydrophobicContact CZ3-CD2 3.46Å; W304-L386 VanDerWaalsContact CZ3-CD2 3.46Å; I305-L386 HydrophobicContact CG1-CD2 4.27Å; I305-L386 HydrophobicContact CG2-CB 4.25Å; I305-L386 HydrophobicContact CG2-CD1 4.48Å; W308-L386 HydrophobicContact CB-CD1 3.93Å; L309-L386 HydrophobicContact CG-CD1 4.24Å; F312-L386 HydrophobicContact CD2-CD1 3.89Å; F312-L386 HydrophobicContact CE2-CD1 3.69Å; F312-L386 HydrophobicContact CE2-CG 4.36Å; A382-L386 PolarHBondContact O-N 2.86Å; W383-L386 HydrophobicContact CE3-CD2 4.45Å; W383-L386 HydrophobicContact CZ3-CD2 4.42Å; W383-L386 VanDerWaalsContact O-CB 3.29Å; W383-L386 WeakPolarHBondContact O-CB 3.36Å; W383-L386 PolarHBondContact O-N 3.34Å; W383-L386 VanDerWaalsContact O-N 3.13Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 2.99Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 2.7Å; L386-A389 CarbonylContact O-C 3.54Å; L386-A389 PolarHBondContact O-N 3.18Å; L386-E390 VanDerWaalsContact O-CB 3.32Å; L386-E390 WeakPolarHBondContact O-CB 3.17Å; L386-E390 PolarHBondContact O-N 2.91Å
387	L	92.4	Very high	91.7	Very high	59 Å²	59	50.2 Å²	50.2	31%	0.309	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-40.8	179	-69.3	175.6	0	0	0	112.2	W383 N384 E390 K391	W383-L387 WeakPolarHBondContact O-CG 3.24Å; W383-L387 PolarHBondContact O-N 2.99Å; N384-L387 PolarHBondContact O-N 2.95Å; L387-E390 PolarHBondContact O-N 3.13Å; L387-K391 WeakPolarHBondContact O-CB 2.91Å; L387-K391 PolarHBondContact O-N 3.25Å
388	N	92.9	Very high	91.8	Very high	117 Å²	117	46.3 Å²	46.3	63%	0.626	25%	0.254	S	S	*	.	H	α-helix	trans	-66.4	-41.4	175.2	-74.5	-24.8	0	0	0	111.9	N384 L386 E390 G392	N384-N388 WeakPolarHBondContact O-CB 3.35Å; N384-N388 PolarHBondContact O-N 2.96Å; N384-N388 PolarHBondContact O-ND2 3.25Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 2.7Å; N388-E390 VanDerWaalsContact C-N 3.33Å; N388-G392 PolarHBondContact O-N 3.31Å
389	A	93.6	Very high	91.9	Very high	23 Å²	23	47.1 Å²	47.1	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-39.4	174.8	0	0	0	0	0	111.6	L309 F312 S385 L386 G392 F393	L309-A389 HydrophobicContact CD2-CB 3.96Å; F312-A389 HydrophobicContact CB-CB 4.16Å; F312-A389 HydrophobicContact CD2-CB 4.44Å; S385-A389 WeakPolarHBondContact O-CB 3.47Å; S385-A389 PolarHBondContact O-N 2.99Å; L386-A389 CarbonylContact O-C 3.54Å; L386-A389 PolarHBondContact O-N 3.18Å; A389-G392 PolarHBondContact O-N 3.45Å; A389-F393 WeakPolarHBondContact O-CB 3.26Å; A389-F393 PolarHBondContact O-N 3.06Å
390	E	92.1	Very high	91.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-49.1	176.5	-176.5	174.4	172.5	0	0	111.1	F312 Y331 Y334 K339 L386 L387 N388 G392 F393 E394	F312-E390 HydrophobicContact CE2-CB 4.37Å; Y331-E390 HydrophobicContact CE2-CG 3.87Å; Y331-E390 VanDerWaalsContact OH-CG 3.27Å; Y331-E390 WeakPolarHBondContact OH-CG 3.29Å; Y331-E390 PolarHBondContact OH-OE1 3.16Å; Y334-E390 PolarHBondContact OH-OE2 2.98Å; K339-E390 WeakPolarHBondContact CE-OE2 3.4Å; K339-E390 IonicContact NZ-OE1 3.01Å; K339-E390 PolarHBondContact NZ-OE1 3.38Å; K339-E390 IonicContact NZ-OE2 2.8Å; K339-E390 PolarHBondContact NZ-OE2 2.98Å; L386-E390 VanDerWaalsContact O-CB 3.32Å; L386-E390 WeakPolarHBondContact O-CB 3.17Å; L386-E390 PolarHBondContact O-N 2.91Å; L387-E390 PolarHBondContact O-N 3.13Å; N388-E390 VanDerWaalsContact C-N 3.33Å; E390-G392 PolarHBondContact O-N 3.46Å; E390-F393 PolarHBondContact O-N 3.28Å; E390-F393 VanDerWaalsContact O-N 3.16Å; E390-E394 WeakPolarHBondContact O-CB 3.48Å; E390-E394 PolarHBondContact O-N 3.41Å
391	K	90.4	Very high	91.8	Very high	132 Å²	132	48.4 Å²	48.4	57%	0.574	27%	0.269	S	S	*	.	H	α-helix	trans	-57.7	-49.2	175.5	-174.8	-180	178.7	-178.4	0	111.5	L387 F393 E394 E395	L387-K391 WeakPolarHBondContact O-CB 2.91Å; L387-K391 PolarHBondContact O-N 3.25Å; K391-F393 VanDerWaalsContact C-N 3.27Å; K391-F393 PolarHBondContact O-N 3.47Å; K391-E394 PolarHBondContact O-N 3.08Å; K391-E395 WeakPolarHBondContact CE-OE1 3.27Å; K391-E395 WeakPolarHBondContact O-CG 3.29Å; K391-E395 PolarHBondContact O-N 3.29Å
392	G	90.9	Very high	91.6	Very high	17 Å²	17	51.7 Å²	51.7	18%	0.175	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-27	178.8	0	0	0	0	0	113.7	R315 N388 A389 E390 W396	R315-G392 PolarHBondContact NH2-O 3.37Å; N388-G392 PolarHBondContact O-N 3.31Å; A389-G392 PolarHBondContact O-N 3.45Å; E390-G392 PolarHBondContact O-N 3.46Å; G392-W396 VanDerWaalsContact O-CB 3.29Å; G392-W396 WeakPolarHBondContact O-CB 3.39Å; G392-W396 PolarHBondContact O-N 2.86Å
393	F	92.9	Very high	91.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-74.9	-43.9	173.4	-179.6	-95.3	0	0	0	111.2	W311 F312 Y331 A389 E390 K391 W396 L397	W311-F393 HydrophobicContact CE3-CE1 4.48Å; W311-F393 HydrophobicContact CE3-CE2 4.42Å; W311-F393 HydrophobicContact CE3-CZ 4.17Å; W311-F393 AromaticContact CH2-CE1 3.73Å; W311-F393 HydrophobicContact CH2-CE1 3.73Å; W311-F393 HydrophobicContact CH2-CE2 4.37Å; W311-F393 AromaticContact CH2-CZ 3.45Å; W311-F393 HydrophobicContact CH2-CZ 3.45Å; W311-F393 VanDerWaalsContact CH2-CZ 3.45Å; W311-F393 HydrophobicContact CZ2-CZ 4.45Å; W311-F393 HydrophobicContact CZ3-CD1 4.12Å; W311-F393 AromaticContact CZ3-CE1 3.39Å; W311-F393 HydrophobicContact CZ3-CE1 3.39Å; W311-F393 AromaticContact CZ3-CE2 3.93Å; W311-F393 HydrophobicContact CZ3-CE2 3.93Å; W311-F393 AromaticContact CZ3-CZ 3.27Å; W311-F393 HydrophobicContact CZ3-CZ 3.27Å; F312-F393 HydrophobicContact CB-CB 4.19Å; F312-F393 HydrophobicContact CB-CD2 4.46Å; F312-F393 HydrophobicContact CB-CG 4.43Å; F312-F393 HydrophobicContact CD1-CB 3.93Å; F312-F393 AromaticContact CD1-CD1 3.81Å; F312-F393 HydrophobicContact CD1-CD1 3.81Å; F312-F393 HydrophobicContact CD1-CD2 4.19Å; F312-F393 HydrophobicContact CD1-CE1 4.39Å; F312-F393 AromaticContact CD1-CG 3.7Å; F312-F393 HydrophobicContact CD1-CG 3.7Å; F312-F393 HydrophobicContact CE1-CD1 4.2Å; F312-F393 HydrophobicContact CG-CB 4.36Å; F312-F393 HydrophobicContact CG-CG 4.48Å; F312-F393 WeakPolarHBondContact O-CD2 3.41Å; Y331-F393 HydrophobicContact CD2-CD1 4.22Å; Y331-F393 HydrophobicContact CD2-CE1 4.22Å; Y331-F393 HydrophobicContact CE2-CD1 4.45Å; Y331-F393 HydrophobicContact CG-CD1 4.48Å; Y331-F393 HydrophobicContact CG-CE1 4.18Å; A389-F393 WeakPolarHBondContact O-CB 3.26Å; A389-F393 PolarHBondContact O-N 3.06Å; E390-F393 PolarHBondContact O-N 3.28Å; E390-F393 VanDerWaalsContact O-N 3.16Å; K391-F393 VanDerWaalsContact C-N 3.27Å; K391-F393 PolarHBondContact O-N 3.47Å; F393-W396 AromaticContact CD2-CE3 3.91Å; F393-W396 HydrophobicContact CD2-CE3 3.91Å; F393-W396 HydrophobicContact CD2-CZ3 4.11Å; F393-W396 AromaticContact CE2-CE3 3.84Å; F393-W396 HydrophobicContact CE2-CE3 3.84Å; F393-W396 AromaticContact CE2-CZ3 3.55Å; F393-W396 HydrophobicContact CE2-CZ3 3.55Å; F393-W396 HydrophobicContact CZ-CE3 4.47Å; F393-W396 HydrophobicContact CZ-CZ3 4.07Å; F393-W396 PolarHBondContact O-N 3.3Å; F393-L397 HydrophobicContact CE1-CB 4.42Å; F393-L397 HydrophobicContact CE1-CD1 4Å; F393-L397 HydrophobicContact CE1-CD2 4.32Å; F393-L397 HydrophobicContact CE1-CG 4.5Å; F393-L397 HydrophobicContact CZ-CD1 3.87Å; F393-L397 WeakPolarHBondContact O-CB 3.43Å; F393-L397 PolarHBondContact O-N 3.4Å
394	E	90.1	Very high	91.4	Very high	63 Å²	63	53.1 Å²	53.1	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-46.5	177	-176.2	165.5	172.6	0	0	111.6	Y331 R335 E390 K391 W396 L397 L398	Y331-E394 HydrophobicContact CE1-CB 4.24Å; Y331-E394 HydrophobicContact CE1-CG 4.17Å; Y331-E394 PolarHBondContact OH-OE2 3.42Å; R335-E394 IonicContact NH1-OE1 3.99Å; R335-E394 IonicContact NH1-OE2 4Å; R335-E394 PolarHBondContact NH1-OE2 2.84Å; E390-E394 WeakPolarHBondContact O-CB 3.48Å; E390-E394 PolarHBondContact O-N 3.41Å; K391-E394 PolarHBondContact O-N 3.08Å; E394-W396 VanDerWaalsContact C-N 3.34Å; E394-W396 PolarHBondContact O-N 3.11Å; E394-L397 PolarHBondContact O-N 3.43Å; E394-L398 HydrophobicContact CG-CD1 4.07Å; E394-L398 WeakPolarHBondContact O-CB 3.37Å; E394-L398 WeakPolarHBondContact O-CG 3.43Å; E394-L398 PolarHBondContact O-N 3.43Å
395	E	91.2	Very high	91.2	Very high	106 Å²	106	53.3 Å²	53.3	50%	0.495	28%	0.277	S	S	.	.	H	α-helix	trans	-59.1	-44.2	174.8	-73.9	173.4	-175.6	0	0	111.9	K391 S399	K391-E395 WeakPolarHBondContact CE-OE1 3.27Å; K391-E395 WeakPolarHBondContact O-CG 3.29Å; K391-E395 PolarHBondContact O-N 3.29Å; E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.47Å; E395-S399 PolarHBondContact O-N 3.48Å; E395-S399 PolarHBondContact O-OG 3.04Å
396	W	93.3	Very high	91.1	Very high	41 Å²	41	56.8 Å²	56.8	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-46.4	176.3	168.8	75.9	0	0	0	111.8	R315 T317 M327 G392 F393 E394 L398 S399 E400	R315-W396 HydrophobicContact CB-CD2 4.19Å; R315-W396 HydrophobicContact CB-CH2 4.09Å; R315-W396 HydrophobicContact CB-CZ2 3.7Å; R315-W396 HydrophobicContact CG-CD2 3.94Å; R315-W396 HydrophobicContact CG-CE3 4.2Å; R315-W396 HydrophobicContact CG-CG 4.37Å; R315-W396 HydrophobicContact CG-CZ2 4.33Å; R315-W396 HydrophobicContact CG-CZ3 4.48Å; R315-W396 WeakPolarHBondContact O-CZ2 3.36Å; T317-W396 HydrophobicContact CG2-CH2 3.53Å; T317-W396 HydrophobicContact CG2-CZ2 3.88Å; M327-W396 HydrophobicContact SD-CH2 4.24Å; M327-W396 HydrophobicContact SD-CZ3 4.39Å; G392-W396 VanDerWaalsContact O-CB 3.29Å; G392-W396 WeakPolarHBondContact O-CB 3.39Å; G392-W396 PolarHBondContact O-N 2.86Å; F393-W396 AromaticContact CD2-CE3 3.91Å; F393-W396 HydrophobicContact CD2-CE3 3.91Å; F393-W396 HydrophobicContact CD2-CZ3 4.11Å; F393-W396 AromaticContact CE2-CE3 3.84Å; F393-W396 HydrophobicContact CE2-CE3 3.84Å; F393-W396 AromaticContact CE2-CZ3 3.55Å; F393-W396 HydrophobicContact CE2-CZ3 3.55Å; F393-W396 HydrophobicContact CZ-CE3 4.47Å; F393-W396 HydrophobicContact CZ-CZ3 4.07Å; F393-W396 PolarHBondContact O-N 3.3Å; E394-W396 VanDerWaalsContact C-N 3.34Å; E394-W396 PolarHBondContact O-N 3.11Å; W396-L398 PolarHBondContact O-N 3.42Å; W396-S399 PolarHBondContact O-N 3.24Å; W396-E400 HydrophobicContact CZ2-CG 4.35Å; W396-E400 VanDerWaalsContact O-CB 3.22Å; W396-E400 WeakPolarHBondContact O-CB 3.27Å; W396-E400 PolarHBondContact O-N 2.65Å
397	L	90.5	Very high	91	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-44.8	-176.9	-170.7	89.3	0	0	0	111.1	V324 M327 L328 Y331 F393 E394 M401	V324-L397 HydrophobicContact CG1-CD1 4.07Å; V324-L397 HydrophobicContact CG1-CG 4.32Å; M327-L397 HydrophobicContact CB-CD1 4Å; L328-L397 HydrophobicContact CB-CD2 3.91Å; L328-L397 HydrophobicContact CD1-CD2 3.41Å; L328-L397 VanDerWaalsContact CD1-CD2 3.41Å; L328-L397 HydrophobicContact CG-CD2 4.24Å; Y331-L397 HydrophobicContact CD1-CD2 4.36Å; F393-L397 HydrophobicContact CE1-CB 4.42Å; F393-L397 HydrophobicContact CE1-CD1 4Å; F393-L397 HydrophobicContact CE1-CD2 4.32Å; F393-L397 HydrophobicContact CE1-CG 4.5Å; F393-L397 HydrophobicContact CZ-CD1 3.87Å; F393-L397 WeakPolarHBondContact O-CB 3.43Å; F393-L397 PolarHBondContact O-N 3.4Å; E394-L397 PolarHBondContact O-N 3.43Å; L397-M401 VanDerWaalsContact O-CB 3.28Å; L397-M401 WeakPolarHBondContact O-CB 3.49Å; L397-M401 PolarHBondContact O-N 3.42Å
398	L	88.8	Confident	90.8	Very high	74 Å²	74	59.5 Å²	59.5	39%	0.387	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-46.4	176.1	-69.7	171.8	0	0	0	111.3	E394 W396 E400 M401 I402	E394-L398 HydrophobicContact CG-CD1 4.07Å; E394-L398 WeakPolarHBondContact O-CB 3.37Å; E394-L398 WeakPolarHBondContact O-CG 3.43Å; E394-L398 PolarHBondContact O-N 3.43Å; W396-L398 PolarHBondContact O-N 3.42Å; L398-E400 VanDerWaalsContact C-N 3.32Å; L398-E400 PolarHBondContact O-N 2.79Å; L398-M401 HydrophobicContact CD2-CE 4.46Å; L398-M401 PolarHBondContact O-N 3.4Å; L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.22Å; L398-I402 PolarHBondContact O-N 2.86Å
399	S	90.4	Very high	90.7	Very high	78 Å²	78	60 Å²	60	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-42.3	178.4	-60.5	0	0	0	0	111.7	E395 W396 R403	E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.47Å; E395-S399 PolarHBondContact O-N 3.48Å; E395-S399 PolarHBondContact O-OG 3.04Å; W396-S399 PolarHBondContact O-N 3.24Å; S399-R403 VanDerWaalsContact O-CB 3.25Å; S399-R403 WeakPolarHBondContact O-CB 3.49Å; S399-R403 PolarHBondContact O-N 2.95Å
400	E	90.1	Very high	90.7	Very high	28 Å²	28	59.5 Å²	59.5	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-70.3	-38.2	179.3	-172.3	63.3	-173.1	0	0	111.6	V324 W396 L398 R403 L404	V324-E400 HydrophobicContact CG2-CG 4.07Å; W396-E400 HydrophobicContact CZ2-CG 4.35Å; W396-E400 VanDerWaalsContact O-CB 3.22Å; W396-E400 WeakPolarHBondContact O-CB 3.27Å; W396-E400 PolarHBondContact O-N 2.65Å; L398-E400 VanDerWaalsContact C-N 3.32Å; L398-E400 PolarHBondContact O-N 2.79Å; E400-R403 PolarHBondContact O-N 3.38Å; E400-R403 IonicContact OE1-CZ 2.8Å; E400-R403 IonicContact OE1-NE 2.97Å; E400-R403 PolarHBondContact OE1-NE 3.31Å; E400-R403 IonicContact OE1-NH2 3.25Å; E400-R403 PolarHBondContact OE1-NH2 3.41Å; E400-R403 IonicContact OE2-CZ 3.25Å; E400-R403 IonicContact OE2-NE 2.68Å; E400-R403 PolarHBondContact OE2-NE 2.89Å; E400-R403 IonicContact OE2-NH2 2.77Å; E400-L404 HydrophobicContact CG-CD1 4.15Å; E400-L404 WeakPolarHBondContact O-CB 3.41Å; E400-L404 VanDerWaalsContact O-CG 3.26Å; E400-L404 WeakPolarHBondContact O-CG 2.91Å; E400-L404 PolarHBondContact O-N 2.95Å
401	M	88.5	Confident	90.7	Very high	43 Å²	43	59.3 Å²	59.3	21%	0.212	28%	0.284	C	S	.	.	H	α-helix	trans	-63.1	-48.1	174.9	-167.2	173.6	73.4	0	0	111.3	L321 V324 L328 L397 L398 R403 L404 E405	L321-M401 HydrophobicContact CD1-CG 3.88Å; V324-M401 HydrophobicContact CG1-CB 3.97Å; V324-M401 HydrophobicContact CG1-CG 4.39Å; L328-M401 HydrophobicContact CD2-SD 3.96Å; L397-M401 VanDerWaalsContact O-CB 3.28Å; L397-M401 WeakPolarHBondContact O-CB 3.49Å; L397-M401 PolarHBondContact O-N 3.42Å; L398-M401 HydrophobicContact CD2-CE 4.46Å; L398-M401 PolarHBondContact O-N 3.4Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 3.11Å; M401-L404 PolarHBondContact O-N 2.92Å; M401-E405 WeakPolarHBondContact O-CB 3.26Å; M401-E405 PolarHBondContact O-N 3.09Å
402	I	88.7	Confident	90.8	Very high	102 Å²	102	56.1 Å²	56.1	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-41.5	176	-66.4	165.2	0	0	0	110.5	L398 R406	L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.22Å; L398-I402 PolarHBondContact O-N 2.86Å; I402-R406 VanDerWaalsContact O-CB 3.25Å; I402-R406 WeakPolarHBondContact O-CB 3.03Å; I402-R406 PolarHBondContact O-N 3.17Å
403	R	91.8	Very high	90.8	Very high	65 Å²	65	60.5 Å²	60.5	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-47.3	177.2	-170.2	-173	74.4	82.2	4.1	111.4	S399 E400 M401 R406 L407 L479	S399-R403 VanDerWaalsContact O-CB 3.25Å; S399-R403 WeakPolarHBondContact O-CB 3.49Å; S399-R403 PolarHBondContact O-N 2.95Å; E400-R403 PolarHBondContact O-N 3.38Å; E400-R403 IonicContact OE1-CZ 2.8Å; E400-R403 IonicContact OE1-NE 2.97Å; E400-R403 PolarHBondContact OE1-NE 3.31Å; E400-R403 IonicContact OE1-NH2 3.25Å; E400-R403 PolarHBondContact OE1-NH2 3.41Å; E400-R403 IonicContact OE2-CZ 3.25Å; E400-R403 IonicContact OE2-NE 2.68Å; E400-R403 PolarHBondContact OE2-NE 2.89Å; E400-R403 IonicContact OE2-NH2 2.77Å; M401-R403 VanDerWaalsContact C-N 3.31Å; M401-R403 PolarHBondContact O-N 3.11Å; R403-R406 PolarHBondContact O-N 2.83Å; R403-L407 VanDerWaalsContact NH1-CD1 3.29Å; R403-L407 WeakPolarHBondContact O-CB 3.5Å; R403-L407 WeakPolarHBondContact O-CG 3.27Å; R403-L407 PolarHBondContact O-N 3.03Å; R403-L479 HydrophobicContact CG-CD2 4.23Å; R403-L479 PolarHBondContact NH1-O 3.36Å
404	L	90	Very high	90.9	Very high	9 Å²	9	61 Å²	61	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-39.9	-179.3	-71	172.9	0	0	0	112.3	G319 L321 V324 E400 M401 L407 E408	G319-L404 WeakPolarHBondContact O-CD2 3.44Å; L321-L404 HydrophobicContact CB-CB 4.39Å; L321-L404 HydrophobicContact CD1-CB 4.03Å; V324-L404 HydrophobicContact CB-CD1 4.34Å; V324-L404 HydrophobicContact CG2-CD1 3.53Å; E400-L404 HydrophobicContact CG-CD1 4.15Å; E400-L404 WeakPolarHBondContact O-CB 3.41Å; E400-L404 VanDerWaalsContact O-CG 3.26Å; E400-L404 WeakPolarHBondContact O-CG 2.91Å; E400-L404 PolarHBondContact O-N 2.95Å; M401-L404 PolarHBondContact O-N 2.92Å; L404-L407 HydrophobicContact CD2-CD1 4.31Å; L404-L407 WeakPolarHBondContact O-CB 3.3Å; L404-L407 PolarHBondContact O-N 2.91Å; L404-E408 PolarHBondContact O-N 3.4Å
405	E	89.7	Confident	91.1	Very high	90 Å²	90	64.7 Å²	64.7	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-44.7	174	-178.8	174.7	-160.1	0	0	111.1	L321 M401 L407 E408 H409	L321-E405 HydrophobicContact CD1-CB 4.45Å; M401-E405 WeakPolarHBondContact O-CB 3.26Å; M401-E405 PolarHBondContact O-N 3.09Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.47Å; E405-E408 PolarHBondContact O-N 3.43Å; E405-H409 PolarHBondContact O-CD2 2.88Å; E405-H409 VanDerWaalsContact O-CD2 3.27Å; E405-H409 PolarHBondContact O-N 2.9Å
406	R	91.1	Very high	91.2	Very high	135 Å²	135	67.2 Å²	67.2	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-41	173.1	-174.7	175.7	-177.1	163.1	3.8	111.4	I402 R403 H409 L410 E475 L479	I402-R406 VanDerWaalsContact O-CB 3.25Å; I402-R406 WeakPolarHBondContact O-CB 3.03Å; I402-R406 PolarHBondContact O-N 3.17Å; R403-R406 PolarHBondContact O-N 2.83Å; R406-H409 PolarHBondContact O-N 3.39Å; R406-L410 HydrophobicContact CG-CD1 3.79Å; R406-L410 HydrophobicContact CG-CG 4.14Å; R406-L410 VanDerWaalsContact O-CB 3.29Å; R406-L410 WeakPolarHBondContact O-CB 3.5Å; R406-L410 WeakPolarHBondContact O-CG 3.3Å; R406-L410 PolarHBondContact O-N 3.3Å; R406-E475 IonicContact CZ-OE1 2.7Å; R406-E475 IonicContact NE-OE1 2.88Å; R406-E475 PolarHBondContact NE-OE1 2.87Å; R406-E475 IonicContact NH2-OE1 2.9Å; R406-E475 PolarHBondContact NH2-OE1 3.17Å; R406-L479 HydrophobicContact CG-CD1 4.22Å
407	L	91.3	Very high	91.1	Very high	9 Å²	9	67.1 Å²	67.1	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-44.4	175.4	-82	177.1	0	0	0	112.2	R403 L404 E405 L410 A411 L476 L479 Y481	R403-L407 VanDerWaalsContact NH1-CD1 3.29Å; R403-L407 WeakPolarHBondContact O-CB 3.5Å; R403-L407 WeakPolarHBondContact O-CG 3.27Å; R403-L407 PolarHBondContact O-N 3.03Å; L404-L407 HydrophobicContact CD2-CD1 4.31Å; L404-L407 WeakPolarHBondContact O-CB 3.3Å; L404-L407 PolarHBondContact O-N 2.91Å; E405-L407 VanDerWaalsContact C-N 3.31Å; E405-L407 PolarHBondContact O-N 3.47Å; L407-L410 PolarHBondContact O-N 3.15Å; L407-A411 WeakPolarHBondContact O-CB 3.48Å; L407-A411 PolarHBondContact O-N 2.91Å; L407-L476 HydrophobicContact CD2-CD2 3.73Å; L407-L479 HydrophobicContact CD2-CB 3.53Å; L407-L479 HydrophobicContact CD2-CD1 4.04Å; L407-L479 HydrophobicContact CD2-CG 4.46Å; L407-L479 HydrophobicContact CG-CB 4.13Å; L407-L479 HydrophobicContact CG-CD1 4.39Å; L407-Y481 HydrophobicContact CB-CD2 4.36Å; L407-Y481 HydrophobicContact CD1-CD2 4.43Å; L407-Y481 HydrophobicContact CD2-CD2 3.92Å; L407-Y481 HydrophobicContact CD2-CG 4.35Å; L407-Y481 HydrophobicContact CG-CD2 4.48Å
408	E	89	Confident	91.2	Very high	107 Å²	107	67.2 Å²	67.2	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-45.6	176.2	-77.5	-174.1	176.1	0	0	111.4	L321 L404 E405 A411 E412	L321-E408 WeakPolarHBondContact CD2-OE2 3.43Å; L404-E408 PolarHBondContact O-N 3.4Å; E405-E408 PolarHBondContact O-N 3.43Å; E408-A411 PolarHBondContact O-N 2.95Å; E408-E412 WeakPolarHBondContact O-CB 3.06Å; E408-E412 PolarHBondContact O-N 3.49Å
409	H	90.3	Very high	91.4	Very high	126 Å²	126	66.5 Å²	66.5	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-45.5	176.7	-82.4	-63.8	0	0	0	113.1	E405 R406 E412 K413	E405-H409 PolarHBondContact O-CD2 2.88Å; E405-H409 VanDerWaalsContact O-CD2 3.27Å; E405-H409 PolarHBondContact O-N 2.9Å; R406-H409 PolarHBondContact O-N 3.39Å; H409-E412 PolarHBondContact O-N 3.46Å; H409-K413 WeakPolarHBondContact O-CB 3.08Å; H409-K413 PolarHBondContact O-N 2.91Å
410	L	93.6	Very high	91.4	Very high	14 Å²	14	67.2 Å²	67.2	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-41.1	178.3	-73.6	173.1	0	0	0	111.4	R406 L407 K413 F414 I472 E475 L476 L479	R406-L410 HydrophobicContact CG-CD1 3.79Å; R406-L410 HydrophobicContact CG-CG 4.14Å; R406-L410 VanDerWaalsContact O-CB 3.29Å; R406-L410 WeakPolarHBondContact O-CB 3.5Å; R406-L410 WeakPolarHBondContact O-CG 3.3Å; R406-L410 PolarHBondContact O-N 3.3Å; L407-L410 PolarHBondContact O-N 3.15Å; L410-K413 PolarHBondContact O-N 3.44Å; L410-F414 VanDerWaalsContact O-CB 3.29Å; L410-F414 WeakPolarHBondContact O-CB 3.46Å; L410-F414 PolarHBondContact O-N 3.05Å; L410-I472 HydrophobicContact CB-CG2 4.43Å; L410-I472 HydrophobicContact CD2-CG2 4.27Å; L410-E475 HydrophobicContact CD1-CB 4.43Å; L410-E475 HydrophobicContact CD1-CG 3.83Å; L410-E475 WeakPolarHBondContact CD1-OE1 3.33Å; L410-L476 HydrophobicContact CB-CD2 3.63Å; L410-L476 HydrophobicContact CB-CG 4.04Å; L410-L476 HydrophobicContact CD1-CD2 4.46Å; L410-L479 HydrophobicContact CD1-CD1 3.78Å
411	A	92	Very high	91.4	Very high	3 Å²	3	66 Å²	66	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-63.5	-43.5	177.3	0	0	0	0	0	111.1	L407 E408 F414 R415 L476 Y481	L407-A411 WeakPolarHBondContact O-CB 3.48Å; L407-A411 PolarHBondContact O-N 2.91Å; E408-A411 PolarHBondContact O-N 2.95Å; A411-F414 PolarHBondContact O-N 2.98Å; A411-R415 WeakPolarHBondContact O-CG 3.46Å; A411-R415 PolarHBondContact O-N 3.01Å; A411-L476 HydrophobicContact CB-CD2 4.39Å; A411-Y481 HydrophobicContact CB-CE2 4.05Å
412	E	92.5	Very high	91.5	Very high	66 Å²	66	65.9 Å²	65.9	31%	0.308	30%	0.301	S	S	.	.	H	α-helix	trans	-67.2	-41.2	175.9	-177.2	59.5	-167.2	0	0	112	E408 H409 F414 R415 R416	E408-E412 WeakPolarHBondContact O-CB 3.06Å; E408-E412 PolarHBondContact O-N 3.49Å; H409-E412 PolarHBondContact O-N 3.46Å; E412-F414 VanDerWaalsContact C-N 3.33Å; E412-F414 PolarHBondContact O-N 3.08Å; E412-R415 PolarHBondContact O-N 3.23Å; E412-R415 IonicContact OE2-CZ 3.29Å; E412-R415 IonicContact OE2-NH1 2.91Å; E412-R415 PolarHBondContact OE2-NH1 3.45Å; E412-R416 WeakPolarHBondContact O-CG 3.39Å; E412-R416 PolarHBondContact O-N 2.92Å; E412-R416 IonicContact OE1-CZ 3.03Å; E412-R416 IonicContact OE1-NE 3.11Å; E412-R416 PolarHBondContact OE1-NE 2.9Å; E412-R416 IonicContact OE1-NH2 2.77Å; E412-R416 PolarHBondContact OE1-NH2 3.13Å
413	K	92.3	Very high	91.5	Very high	108 Å²	108	67.1 Å²	67.1	47%	0.47	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-41.8	174.8	-169.7	179.1	-177.3	-179.6	0	111.4	H409 L410 K417 I472	H409-K413 WeakPolarHBondContact O-CB 3.08Å; H409-K413 PolarHBondContact O-N 2.91Å; L410-K413 PolarHBondContact O-N 3.44Å; K413-K417 HydrophobicContact CG-CD 4.24Å; K413-K417 WeakPolarHBondContact O-CB 3.49Å; K413-K417 WeakPolarHBondContact O-CG 3.42Å; K413-K417 PolarHBondContact O-N 3.12Å; K413-I472 HydrophobicContact CD-CD1 3.91Å; K413-I472 HydrophobicContact CG-CD1 3.97Å
414	F	94.5	Very high	91.3	Very high	10 Å²	10	65.4 Å²	65.4	4%	0.044	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-51.3	174.5	179.9	-99.2	0	0	0	110.8	L410 A411 E412 R416 K417 C418 I469 I472 A473 L476 V487 R490 C491	L410-F414 VanDerWaalsContact O-CB 3.29Å; L410-F414 WeakPolarHBondContact O-CB 3.46Å; L410-F414 PolarHBondContact O-N 3.05Å; A411-F414 PolarHBondContact O-N 2.98Å; E412-F414 VanDerWaalsContact C-N 3.33Å; E412-F414 PolarHBondContact O-N 3.08Å; F414-R416 PolarHBondContact O-N 3.38Å; F414-K417 PolarHBondContact O-N 3.02Å; F414-C418 VanDerWaalsContact CZ-SG 3.52Å; F414-C418 WeakPolarHBondContact O-CB 3.49Å; F414-C418 PolarHBondContact O-N 3.4Å; F414-C418 PolarHBondContact O-SG 3.04Å; F414-I469 HydrophobicContact CD2-CG2 4.17Å; F414-I469 HydrophobicContact CE2-CG2 3.66Å; F414-I472 HydrophobicContact CB-CG2 3.82Å; F414-I472 HydrophobicContact CD2-CG2 4.25Å; F414-A473 HydrophobicContact CD2-CB 4.37Å; F414-A473 HydrophobicContact CE2-CB 3.89Å; F414-L476 HydrophobicContact CB-CD1 4.08Å; F414-L476 HydrophobicContact CG-CD1 4.33Å; F414-V487 HydrophobicContact CD1-CG1 4.24Å; F414-V487 HydrophobicContact CD1-CG2 4.41Å; F414-V487 HydrophobicContact CD2-CG1 4.39Å; F414-V487 HydrophobicContact CE1-CB 4.3Å; F414-V487 HydrophobicContact CE1-CG1 3.86Å; F414-V487 HydrophobicContact CE1-CG2 4.29Å; F414-V487 HydrophobicContact CE2-CG1 4.03Å; F414-V487 HydrophobicContact CG-CG1 4.49Å; F414-V487 HydrophobicContact CZ-CG1 3.75Å; F414-R490 HydrophobicContact CE1-CB 4.37Å; F414-R490 HydrophobicContact CE1-CG 4.35Å; F414-R490 HydrophobicContact CZ-CB 4.33Å; F414-R490 HydrophobicContact CZ-CG 4.39Å; F414-C491 HydrophobicContact CZ-CB 4.44Å
415	R	93.1	Very high	91.2	Very high	141 Å²	141	65.3 Å²	65.3	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-49	177.8	-72.9	-175.9	-147.9	126.2	-0.3	112.1	A411 E412 C418 A419	A411-R415 WeakPolarHBondContact O-CG 3.46Å; A411-R415 PolarHBondContact O-N 3.01Å; E412-R415 PolarHBondContact O-N 3.23Å; E412-R415 IonicContact OE2-CZ 3.29Å; E412-R415 IonicContact OE2-NH1 2.91Å; E412-R415 PolarHBondContact OE2-NH1 3.45Å; R415-C418 PolarHBondContact O-N 2.93Å; R415-A419 WeakPolarHBondContact O-CB 3.46Å; R415-A419 PolarHBondContact O-N 3.27Å
416	R	93	Very high	91	Very high	160 Å²	160	66.6 Å²	66.6	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-46.6	-179.9	-71.9	-178.1	-173.3	-160.7	2.4	111.9	E412 F414 A419 I420	E412-R416 WeakPolarHBondContact O-CG 3.39Å; E412-R416 PolarHBondContact O-N 2.92Å; E412-R416 IonicContact OE1-CZ 3.03Å; E412-R416 IonicContact OE1-NE 3.11Å; E412-R416 PolarHBondContact OE1-NE 2.9Å; E412-R416 IonicContact OE1-NH2 2.77Å; E412-R416 PolarHBondContact OE1-NH2 3.13Å; F414-R416 PolarHBondContact O-N 3.38Å; R416-A419 PolarHBondContact O-N 2.85Å; R416-I420 WeakPolarHBondContact O-CD1 3.37Å; R416-I420 VanDerWaalsContact O-CG1 3.23Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.16Å
417	K	92.8	Very high	90.7	Very high	39 Å²	39	65.4 Å²	65.4	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-40.3	179.2	-78.1	-178.9	169.8	-71.1	0	112.2	K413 F414 I420 H421 I469 I472	K413-K417 HydrophobicContact CG-CD 4.24Å; K413-K417 WeakPolarHBondContact O-CB 3.49Å; K413-K417 WeakPolarHBondContact O-CG 3.42Å; K413-K417 PolarHBondContact O-N 3.12Å; F414-K417 PolarHBondContact O-N 3.02Å; K417-I420 PolarHBondContact O-N 3.49Å; K417-H421 WeakPolarHBondContact O-CB 3.49Å; K417-H421 PolarHBondContact O-N 3.36Å; K417-I469 HydrophobicContact CB-CD1 4.17Å; K417-I469 HydrophobicContact CB-CG1 3.76Å; K417-I472 HydrophobicContact CD-CD1 3.56Å
418	C	92.5	Very high	90.4	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.034	32%	0.315	C	S	.	.	H	α-helix	trans	-59.1	-50.9	172.6	-68.3	0	0	0	0	110.6	F414 R415 I420 H421 D422 I494	F414-C418 VanDerWaalsContact CZ-SG 3.52Å; F414-C418 WeakPolarHBondContact O-CB 3.49Å; F414-C418 PolarHBondContact O-N 3.4Å; F414-C418 PolarHBondContact O-SG 3.04Å; R415-C418 PolarHBondContact O-N 2.93Å; C418-I420 VanDerWaalsContact C-N 3.32Å; C418-I420 PolarHBondContact O-N 3.22Å; C418-H421 CarbonylContact O-C 3.6Å; C418-H421 WeakPolarHBondContact O-CA 3.44Å; C418-H421 WeakPolarHBondContact O-CB 3.45Å; C418-H421 PolarHBondContact O-N 3Å; C418-D422 PolarHBondContact O-N 3.31Å; C418-I494 HydrophobicContact CB-CD1 3.98Å
419	A	92.7	Very high	90.2	Very high	58 Å²	58	65.2 Å²	65.2	48%	0.479	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-40.4	179.7	0	0	0	0	0	112.9	R415 R416 D422 E423	R415-A419 WeakPolarHBondContact O-CB 3.46Å; R415-A419 PolarHBondContact O-N 3.27Å; R416-A419 PolarHBondContact O-N 2.85Å; A419-D422 PolarHBondContact O-N 3.22Å; A419-E423 PolarHBondContact O-N 3.36Å
420	I	89.7	Confident	89.9	Confident	94 Å²	94	64.7 Å²	64.7	48%	0.482	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-39.7	175.6	-67	163.8	0	0	0	111	R416 K417 C418 W424	R416-I420 WeakPolarHBondContact O-CD1 3.37Å; R416-I420 VanDerWaalsContact O-CG1 3.23Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.16Å; K417-I420 PolarHBondContact O-N 3.49Å; C418-I420 VanDerWaalsContact C-N 3.32Å; C418-I420 PolarHBondContact O-N 3.22Å; I420-W424 PolarHBondContact O-N 3.31Å
421	H	90.9	Very high	89.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-42.7	175.6	178.5	-83.9	0	0	0	111.9	K417 C418 E423 W424 T425 V466 I469 W498	K417-H421 WeakPolarHBondContact O-CB 3.49Å; K417-H421 PolarHBondContact O-N 3.36Å; C418-H421 CarbonylContact O-C 3.6Å; C418-H421 WeakPolarHBondContact O-CA 3.44Å; C418-H421 WeakPolarHBondContact O-CB 3.45Å; C418-H421 PolarHBondContact O-N 3Å; H421-E423 VanDerWaalsContact C-N 3.32Å; H421-E423 PolarHBondContact O-N 3.01Å; H421-W424 PolarHBondContact O-N 3.4Å; H421-T425 WeakPolarHBondContact CE1-CG2 3.44Å; H421-T425 WeakPolarHBondContact O-CG2 3.45Å; H421-T425 PolarHBondContact O-N 3.44Å; H421-T425 PolarHBondContact O-OG1 3.1Å; H421-T425 VanDerWaalsContact O-OG1 3.08Å; H421-V466 WeakPolarHBondContact NE2-CG2 3.44Å; H421-I469 HydrophobicContact CB-CD1 3.88Å; H421-W498 AromaticContact NE2-CE3 3.7Å
422	D	89.4	Confident	89	Confident	42 Å²	42	67.5 Å²	67.5	23%	0.225	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-43.2	175.9	-63.7	-52.1	0	0	0	111.3	C418 A419 W424 T425 K426 R490	C418-D422 PolarHBondContact O-N 3.31Å; A419-D422 PolarHBondContact O-N 3.22Å; D422-W424 VanDerWaalsContact C-N 3.32Å; D422-W424 PolarHBondContact O-N 3.43Å; D422-T425 WeakPolarHBondContact CA-OG1 3.46Å; D422-T425 PolarHBondContact O-N 3.13Å; D422-T425 PolarHBondContact O-OG1 3.49Å; D422-K426 PolarHBondContact O-N 2.86Å; D422-R490 IonicContact OD1-CZ 3.05Å; D422-R490 IonicContact OD1-NH2 3.73Å; D422-R490 PolarHBondContact OD1-NH2 3.32Å; D422-R490 IonicContact OD2-CZ 2.77Å; D422-R490 IonicContact OD2-NH2 2.72Å; D422-R490 PolarHBondContact OD2-NH2 2.83Å
423	E	89.1	Confident	88.6	Confident	127 Å²	127	67.7 Å²	67.7	59%	0.593	33%	0.327	S	S	*	.	H	α-helix	trans	-66.7	-35.6	177.3	-167.3	60.9	-157.1	0	0	111.6	A419 H421 K426	A419-E423 PolarHBondContact O-N 3.36Å; H421-E423 VanDerWaalsContact C-N 3.32Å; H421-E423 PolarHBondContact O-N 3.01Å; E423-K426 WeakPolarHBondContact O-CB 3.49Å
424	W	87.6	Confident	88.1	Confident	30 Å²	30	65.1 Å²	65.1	11%	0.114	32%	0.323	C	S	.	.	H	α-helix	trans	-68.4	-42	175.7	179	86.9	0	0	0	112.5	I420 H421 D422 K426 K428 F455 D458 M459 N462 W498 I501	I420-W424 PolarHBondContact O-N 3.31Å; H421-W424 PolarHBondContact O-N 3.4Å; D422-W424 VanDerWaalsContact C-N 3.32Å; D422-W424 PolarHBondContact O-N 3.43Å; W424-K426 PolarHBondContact O-N 2.83Å; W424-K428 WeakPolarHBondContact O-CE 3.43Å; W424-K428 WeakPolarHBondContact O-CG 3.06Å; W424-F455 HydrophobicContact CH2-CE2 4.15Å; W424-F455 HydrophobicContact CH2-CZ 4.23Å; W424-F455 AromaticContact CZ2-CE2 3.87Å; W424-F455 HydrophobicContact CZ2-CE2 3.87Å; W424-F455 HydrophobicContact CZ2-CZ 4.38Å; W424-D458 PolarHBondContact NE1-OD2 3.13Å; W424-M459 HydrophobicContact CH2-CB 4.33Å; W424-M459 HydrophobicContact CH2-CG 4.26Å; W424-N462 VanDerWaalsContact CE2-ND2 3.28Å; W424-N462 PolarHBondContact NE1-ND2 3.34Å; W424-W498 HydrophobicContact CE3-CZ3 4.2Å; W424-W498 HydrophobicContact CH2-CH2 4.07Å; W424-W498 AromaticContact CH2-CZ3 3.65Å; W424-W498 HydrophobicContact CH2-CZ3 3.65Å; W424-W498 HydrophobicContact CZ3-CE3 4.07Å; W424-W498 HydrophobicContact CZ3-CH2 4.22Å; W424-W498 AromaticContact CZ3-CZ3 3.34Å; W424-W498 HydrophobicContact CZ3-CZ3 3.34Å; W424-I501 HydrophobicContact CZ3-CD1 4.29Å
425	T	87.4	Confident	87.2	Confident	6 Å²	6	69.1 Å²	69.1	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-71.1	-19.9	-178.8	49.7	0	0	0	0	113.1	H421 D422 N427 K428 I501	H421-T425 WeakPolarHBondContact CE1-CG2 3.44Å; H421-T425 WeakPolarHBondContact O-CG2 3.45Å; H421-T425 PolarHBondContact O-N 3.44Å; H421-T425 PolarHBondContact O-OG1 3.1Å; H421-T425 VanDerWaalsContact O-OG1 3.08Å; D422-T425 WeakPolarHBondContact CA-OG1 3.46Å; D422-T425 PolarHBondContact O-N 3.13Å; D422-T425 PolarHBondContact O-OG1 3.49Å; T425-N427 PolarHBondContact O-N 3.36Å; T425-K428 PolarHBondContact O-N 3.17Å; T425-K428 VanDerWaalsContact O-N 3.16Å; T425-I501 HydrophobicContact CG2-CD1 3.74Å
426	K	87.2	Confident	86.4	Confident	117 Å²	117	65.4 Å²	65.4	51%	0.509	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	127	-179.7	-163.8	174.9	179.4	-178.4	0	111.9	D422 E423 W424 K428	D422-K426 PolarHBondContact O-N 2.86Å; E423-K426 WeakPolarHBondContact O-CB 3.49Å; W424-K426 PolarHBondContact O-N 2.83Å; K426-K428 PolarHBondContact O-N 3.38Å; K426-K428 VanDerWaalsContact O-N 3.13Å
427	N	82.9	Confident	85.5	Confident	111 Å²	111	59.7 Å²	59.7	59%	0.594	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	4.1	-179.3	-46.9	-34.7	0	0	0	115.8	T425 D430 M431	T425-N427 PolarHBondContact O-N 3.36Å; N427-D430 PolarHBondContact O-N 3.23Å; N427-M431 PolarHBondContact O-N 2.85Å
428	K	85.5	Confident	84.1	Confident	55 Å²	55	64.4 Å²	64.4	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-71.4	-38.3	179.5	-59.4	-58	-175.6	179.6	0	112.3	W424 T425 K426 D430 M431 L432 F455	W424-K428 WeakPolarHBondContact O-CE 3.43Å; W424-K428 WeakPolarHBondContact O-CG 3.06Å; T425-K428 PolarHBondContact O-N 3.17Å; T425-K428 VanDerWaalsContact O-N 3.16Å; K426-K428 PolarHBondContact O-N 3.38Å; K426-K428 VanDerWaalsContact O-N 3.13Å; K428-D430 VanDerWaalsContact C-N 3.27Å; K428-D430 PolarHBondContact O-N 3.5Å; K428-M431 PolarHBondContact O-N 3.42Å; K428-L432 WeakPolarHBondContact O-CB 3.33Å; K428-L432 VanDerWaalsContact O-CG 3.31Å; K428-L432 WeakPolarHBondContact O-CG 3.11Å; K428-L432 PolarHBondContact O-N 2.79Å; K428-F455 HydrophobicContact CB-CE2 4.39Å; K428-F455 HydrophobicContact CD-CE2 4.02Å; K428-F455 HydrophobicContact CG-CE2 4.36Å
429	E	85.2	Confident	82.7	Confident	56 Å²	56	75.8 Å²	75.8	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-39.2	174.9	-68.4	-172.7	-167.7	0	0	111.7	S433 I501 L504	E429-S433 PolarHBondContact O-N 2.95Å; E429-S433 PolarHBondContact O-OG 3.43Å; E429-I501 HydrophobicContact CG-CG1 3.9Å; E429-L504 HydrophobicContact CB-CD1 4.25Å; E429-L504 HydrophobicContact CG-CD1 4.33Å
430	D	83.7	Confident	81.3	Confident	116 Å²	116	74.1 Å²	74.1	62%	0.62	36%	0.362	S	S	*	.	H	α-helix	trans	-70	-43.3	176.9	-62	-37.8	0	0	0	111.8	N427 K428 L432 S433	N427-D430 PolarHBondContact O-N 3.23Å; K428-D430 VanDerWaalsContact C-N 3.27Å; K428-D430 PolarHBondContact O-N 3.5Å; D430-L432 VanDerWaalsContact C-N 3.34Å; D430-L432 PolarHBondContact O-N 2.95Å; D430-S433 PolarHBondContact O-N 3.11Å; D430-S433 VanDerWaalsContact O-N 3.13Å
431	M	83.2	Confident	80	Confident	72 Å²	72	71 Å²	71	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-45.3	177.1	-175.6	-168.5	83.1	0	0	111.9	N427 K428 S433 S434 F455	N427-M431 PolarHBondContact O-N 2.85Å; K428-M431 PolarHBondContact O-N 3.42Å; M431-S433 PolarHBondContact O-N 2.64Å; M431-S434 WeakPolarHBondContact O-CB 3.28Å; M431-S434 PolarHBondContact O-N 3.21Å; M431-F455 HydrophobicContact CE-CB 4.49Å; M431-F455 HydrophobicContact CE-CD2 3.66Å; M431-F455 HydrophobicContact CE-CE2 4.01Å; M431-F455 HydrophobicContact CE-CG 3.95Å
432	L	84.5	Confident	78.7	Confident	4 Å²	4	71.2 Å²	71.2	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-20	-179.8	-73.1	176.2	0	0	0	113.1	K428 D430 F455 I501 L504	K428-L432 WeakPolarHBondContact O-CB 3.33Å; K428-L432 VanDerWaalsContact O-CG 3.31Å; K428-L432 WeakPolarHBondContact O-CG 3.11Å; K428-L432 PolarHBondContact O-N 2.79Å; D430-L432 VanDerWaalsContact C-N 3.34Å; D430-L432 PolarHBondContact O-N 2.95Å; L432-F455 HydrophobicContact CD1-CE1 3.72Å; L432-F455 HydrophobicContact CD1-CZ 3.86Å; L432-F455 HydrophobicContact CD2-CD1 3.8Å; L432-F455 HydrophobicContact CD2-CE1 3.57Å; L432-F455 HydrophobicContact CD2-CZ 4.21Å; L432-F455 HydrophobicContact CG-CE1 4.01Å; L432-F455 HydrophobicContact CG-CZ 4.21Å; L432-I501 HydrophobicContact CD1-CG2 3.87Å; L432-L504 HydrophobicContact CB-CB 3.88Å; L432-L504 HydrophobicContact CD1-CB 3.76Å; L432-L504 HydrophobicContact CG-CB 4.46Å
433	S	82.7	Confident	77	Confident	69 Å²	69	73.7 Å²	73.7	48%	0.483	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.7	-178.9	-57.3	0	0	0	0	114	E429 D430 M431	E429-S433 PolarHBondContact O-N 2.95Å; E429-S433 PolarHBondContact O-OG 3.43Å; D430-S433 PolarHBondContact O-N 3.11Å; D430-S433 VanDerWaalsContact O-N 3.13Å; M431-S433 PolarHBondContact O-N 2.64Å
434	S	82.3	Confident	76.2	Confident	54 Å²	54	69.4 Å²	69.4	38%	0.378	33%	0.332	S	S	.	.			trans	-85.5	155.4	-176	-176.6	0	0	0	0	115.3	M431 R508	M431-S434 WeakPolarHBondContact O-CB 3.28Å; M431-S434 PolarHBondContact O-N 3.21Å; S434-R508 PolarHBondContact O-NH1 3.46Å
435	D	75.3	Confident	75.4	Confident	95 Å²	95	68.5 Å²	68.5	51%	0.508	33%	0.329	S	S	.	.			trans	-111.9	19.8	-175	-101.3	23.3	0	0	0	114.3	Y437 K438	D435-Y437 VanDerWaalsContact C-N 3.32Å; D435-Y437 PolarHBondContact O-N 3.5Å; D435-K438 IonicContact OD2-NZ 3.92Å; D435-K438 PolarHBondContact OD2-NZ 3.01Å
436	D	77.2	Confident	74.5	Confident	62 Å²	62	69.5 Å²	69.5	33%	0.332	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.5	-24.4	-172.4	53.3	-13.1	0	0	0	117.8	K438 S440 L448 R508	D436-K438 PolarHBondContact O-N 2.62Å; D436-K438 VanDerWaalsContact O-N 3.09Å; D436-S440 PolarHBondContact O-OG 3.41Å; D436-L448 VanDerWaalsContact OD2-CD2 3.23Å; D436-L448 WeakPolarHBondContact OD2-CD2 3.45Å; D436-R508 VanDerWaalsContact CG-NH2 3.31Å; D436-R508 IonicContact OD1-CZ 3.4Å; D436-R508 VanDerWaalsContact OD1-CZ 3.27Å; D436-R508 IonicContact OD1-NH1 2.66Å; D436-R508 PolarHBondContact OD1-NH1 3.33Å; D436-R508 IonicContact OD1-NH2 3.67Å; D436-R508 PolarHBondContact OD1-NH2 3.04Å; D436-R508 IonicContact OD2-CZ 3.62Å; D436-R508 IonicContact OD2-NH1 3.21Å; D436-R508 IonicContact OD2-NH2 3.52Å; D436-R508 PolarHBondContact OD2-NH2 3.28Å
437	Y	73.1	Confident	73.6	Confident	40 Å²	40	65.2 Å²	65.2	16%	0.157	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64.5	-13.3	-174.3	64.6	-83.9	0	0	0	116.1	D435 R439 L445 N511 L512	D435-Y437 VanDerWaalsContact C-N 3.32Å; D435-Y437 PolarHBondContact O-N 3.5Å; Y437-R439 VanDerWaalsContact C-N 3.32Å; Y437-R439 PolarHBondContact O-N 2.82Å; Y437-L445 WeakPolarHBondContact O-CD2 3.47Å; Y437-N511 HydrophobicContact CE1-CB 4.15Å; Y437-N511 HydrophobicContact CE2-CB 4.26Å; Y437-L512 VanDerWaalsContact CB-CD2 3.44Å; Y437-L512 HydrophobicContact CG-CD2 4.16Å
438	K	63.4	Low	73.5	Confident	138 Å²	138	60.1 Å²	60.1	60%	0.6	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-75.7	-7.8	-173.2	-67	172.7	-176.8	157.3	0	115.4	D435 D436	D435-K438 IonicContact OD2-NZ 3.92Å; D435-K438 PolarHBondContact OD2-NZ 3.01Å; D436-K438 PolarHBondContact O-N 2.62Å; D436-K438 VanDerWaalsContact O-N 3.09Å
439	R	63.9	Low	73.3	Confident	244 Å²	244	60 Å²	60	92%	0.921	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-131.7	20.3	-174.5	-69.8	-177	175.5	174.5	-1	114.1	Y437	Y437-R439 VanDerWaalsContact C-N 3.32Å; Y437-R439 PolarHBondContact O-N 2.82Å
440	S	63.2	Low	72.6	Confident	24 Å²	24	63.4 Å²	63.4	17%	0.168	30%	0.304	C	S	.	.			trans	-104.4	148.4	-162.4	-66.7	0	0	0	0	113.3	D436 E444 L445	D436-S440 PolarHBondContact O-OG 3.41Å; S440-E444 WeakPolarHBondContact CA-OE2 3.36Å; S440-E444 WeakPolarHBondContact CB-OE2 3.12Å; S440-L445 WeakPolarHBondContact O-CD1 3.45Å
441	Y	63.2	Low	72.4	Confident	27 Å²	27	64.5 Å²	64.5	11%	0.106	30%	0.3	C	S	.	.			trans	-69.2	174.1	174.4	-65.4	-61.1	0	0	0	112.9	Y443 E444 L445 M519 L599 G600 E602 V603	Y441-Y443 HydrophobicContact CD2-CE1 4.3Å; Y441-Y443 HydrophobicContact CG-CE1 4.36Å; Y441-Y443 PolarHBondContact O-N 3.04Å; Y441-E444 HydrophobicContact CD2-CG 4.43Å; Y441-E444 WeakPolarHBondContact CD2-OE1 3.32Å; Y441-E444 PolarHBondContact N-OE2 2.85Å; Y441-E444 CarbonylContact O-C 3.53Å; Y441-E444 WeakPolarHBondContact O-CA 3.47Å; Y441-E444 WeakPolarHBondContact O-CB 3.37Å; Y441-E444 PolarHBondContact O-N 3.12Å; Y441-L445 WeakPolarHBondContact O-CB 3.34Å; Y441-L445 VanDerWaalsContact O-CG 3.3Å; Y441-L445 WeakPolarHBondContact O-CG 3.45Å; Y441-L445 PolarHBondContact O-N 2.88Å; Y441-M519 HydrophobicContact CD1-CE 3.88Å; Y441-L599 HydrophobicContact CE1-CB 4.34Å; Y441-G600 WeakPolarHBondContact OH-CA 3.36Å; Y441-G600 PolarHBondContact OH-N 2.76Å; Y441-G600 PolarHBondContact OH-O 3.07Å; Y441-E602 HydrophobicContact CE2-CB 3.78Å; Y441-E602 HydrophobicContact CE2-CG 4.44Å; Y441-V603 HydrophobicContact CD1-CB 4.37Å; Y441-V603 HydrophobicContact CD1-CG2 3.06Å; Y441-V603 HydrophobicContact CE1-CB 4.41Å; Y441-V603 HydrophobicContact CE1-CG2 2.96Å; Y441-V603 HydrophobicContact CG-CG2 3.92Å
442	L	63.4	Low	72.5	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-58.9	-175.9	175.5	64.4	0	0	0	109.6	E444 L445 K446 E516 M519 E520 D523	L442-E444 PolarHBondContact O-N 3.41Å; L442-E444 VanDerWaalsContact O-N 3.13Å; L442-L445 CarbonylContact O-C 3.24Å; L442-L445 WeakPolarHBondContact O-CA 3.49Å; L442-L445 PolarHBondContact O-N 3.31Å; L442-K446 HydrophobicContact CD1-CB 4.44Å; L442-K446 HydrophobicContact CD1-CD 3.79Å; L442-K446 HydrophobicContact CD1-CG 3.64Å; L442-K446 HydrophobicContact CD2-CD 3.66Å; L442-K446 HydrophobicContact CD2-CG 4.35Å; L442-K446 HydrophobicContact CG-CB 4.44Å; L442-K446 HydrophobicContact CG-CD 3.8Å; L442-K446 HydrophobicContact CG-CG 3.95Å; L442-K446 WeakPolarHBondContact O-CA 3.26Å; L442-K446 VanDerWaalsContact O-CB 3.25Å; L442-K446 WeakPolarHBondContact O-CB 3.29Å; L442-K446 PolarHBondContact O-N 3.5Å; L442-E516 HydrophobicContact CD1-CG 4.17Å; L442-E516 WeakPolarHBondContact CD1-O 3.46Å; L442-M519 VanDerWaalsContact CA-SD 3.58Å; L442-M519 HydrophobicContact CB-CB 3.11Å; L442-M519 HydrophobicContact CB-CG 3.53Å; L442-M519 WeakPolarHBondContact CB-O 3.37Å; L442-M519 HydrophobicContact CB-SD 3.55Å; L442-M519 VanDerWaalsContact CB-SD 3.55Å; L442-M519 HydrophobicContact CD1-CB 3.29Å; L442-M519 WeakPolarHBondContact CD2-O 3.3Å; L442-M519 HydrophobicContact CG-CB 3.63Å; L442-M519 PolarHBondContact N-SD 3Å; L442-E520 HydrophobicContact CD1-CB 4.44Å; L442-E520 HydrophobicContact CD1-CG 3.73Å; L442-E520 HydrophobicContact CD2-CB 4.35Å; L442-E520 HydrophobicContact CD2-CG 4.33Å; L442-E520 VanDerWaalsContact CD2-N 3.29Å; L442-D523 HydrophobicContact CD2-CB 2.91Å; L442-D523 VanDerWaalsContact CD2-OD1 3.3Å; L442-D523 WeakPolarHBondContact CD2-OD1 3.15Å; L442-D523 WeakPolarHBondContact CD2-OD2 3.22Å; L442-D523 HydrophobicContact CG-CB 4.32Å
443	Y	54	Low	72.4	Confident	93 Å²	93	64 Å²	64	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-31.5	-176.1	82.2	-87.8	0	0	0	106.6	Y441 L445 K446 A447 P607	Y441-Y443 HydrophobicContact CD2-CE1 4.3Å; Y441-Y443 HydrophobicContact CG-CE1 4.36Å; Y441-Y443 PolarHBondContact O-N 3.04Å; Y443-L445 PolarHBondContact O-N 3.38Å; Y443-K446 CarbonylContact O-C 3.52Å; Y443-A447 WeakPolarHBondContact O-CA 3.41Å; Y443-A447 WeakPolarHBondContact O-CB 2.97Å; Y443-A447 PolarHBondContact O-N 3.19Å; Y443-P607 VanDerWaalsContact CB-CB 3.43Å; Y443-P607 HydrophobicContact CD1-CB 4.13Å; Y443-P607 HydrophobicContact CD1-CG 4.25Å; Y443-P607 HydrophobicContact CD2-CB 4.39Å; Y443-P607 HydrophobicContact CG-CB 3.72Å; Y443-P607 HydrophobicContact CG-CG 4.27Å
444	E	71.5	Confident	72.2	Confident	38 Å²	38	63.3 Å²	63.3	18%	0.178	30%	0.295	C	S	.	.	H	α-helix	trans	-70.5	-27.2	174.3	-63.4	177.6	172.7	0	0	114	S440 Y441 L442 A447 L448	S440-E444 WeakPolarHBondContact CA-OE2 3.36Å; S440-E444 WeakPolarHBondContact CB-OE2 3.12Å; Y441-E444 HydrophobicContact CD2-CG 4.43Å; Y441-E444 WeakPolarHBondContact CD2-OE1 3.32Å; Y441-E444 PolarHBondContact N-OE2 2.85Å; Y441-E444 CarbonylContact O-C 3.53Å; Y441-E444 WeakPolarHBondContact O-CA 3.47Å; Y441-E444 WeakPolarHBondContact O-CB 3.37Å; Y441-E444 PolarHBondContact O-N 3.12Å; L442-E444 PolarHBondContact O-N 3.41Å; L442-E444 VanDerWaalsContact O-N 3.13Å; E444-A447 CarbonylContact O-C 3.53Å; E444-L448 WeakPolarHBondContact O-CA 3.39Å; E444-L448 WeakPolarHBondContact O-CB 3.48Å; E444-L448 WeakPolarHBondContact O-CD1 3.41Å; E444-L448 WeakPolarHBondContact O-CG 3.46Å; E444-L448 PolarHBondContact O-N 2.95Å
445	L	69.8	Low	72.4	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-85	-48	177.8	-76.5	167.6	0	0	0	110.7	Y437 S440 Y441 L442 Y443 A447 L448 R449 A515 E516	Y437-L445 WeakPolarHBondContact O-CD2 3.47Å; S440-L445 WeakPolarHBondContact O-CD1 3.45Å; Y441-L445 WeakPolarHBondContact O-CB 3.34Å; Y441-L445 VanDerWaalsContact O-CG 3.3Å; Y441-L445 WeakPolarHBondContact O-CG 3.45Å; Y441-L445 PolarHBondContact O-N 2.88Å; L442-L445 CarbonylContact O-C 3.24Å; L442-L445 WeakPolarHBondContact O-CA 3.49Å; L442-L445 PolarHBondContact O-N 3.31Å; Y443-L445 PolarHBondContact O-N 3.38Å; L445-A447 PolarHBondContact O-N 3.15Å; L445-L448 PolarHBondContact O-N 3.18Å; L445-R449 VanDerWaalsContact O-CB 3.3Å; L445-R449 WeakPolarHBondContact O-CB 3.43Å; L445-R449 PolarHBondContact O-N 3.43Å; L445-A515 HydrophobicContact CD1-CB 3.78Å; L445-A515 WeakPolarHBondContact CD1-O 3.5Å; L445-A515 HydrophobicContact CD2-CB 3.39Å; L445-A515 HydrophobicContact CG-CB 4.09Å; L445-E516 HydrophobicContact CB-CB 4.34Å
446	K	69.7	Low	72.9	Confident	28 Å²	28	59.4 Å²	59.4	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-51.1	-36.8	160.2	-88.1	-172.4	173.6	172.8	0	112.2	L442 Y443 K450 E516 E520 D523	L442-K446 HydrophobicContact CD1-CB 4.44Å; L442-K446 HydrophobicContact CD1-CD 3.79Å; L442-K446 HydrophobicContact CD1-CG 3.64Å; L442-K446 HydrophobicContact CD2-CD 3.66Å; L442-K446 HydrophobicContact CD2-CG 4.35Å; L442-K446 HydrophobicContact CG-CB 4.44Å; L442-K446 HydrophobicContact CG-CD 3.8Å; L442-K446 HydrophobicContact CG-CG 3.95Å; L442-K446 WeakPolarHBondContact O-CA 3.26Å; L442-K446 VanDerWaalsContact O-CB 3.25Å; L442-K446 WeakPolarHBondContact O-CB 3.29Å; L442-K446 PolarHBondContact O-N 3.5Å; Y443-K446 CarbonylContact O-C 3.52Å; K446-K450 VanDerWaalsContact O-CA 3.29Å; K446-K450 WeakPolarHBondContact O-CA 3.21Å; K446-K450 WeakPolarHBondContact O-CB 3.45Å; K446-K450 WeakPolarHBondContact O-CG 3.5Å; K446-K450 PolarHBondContact O-N 3.46Å; K446-E516 WeakPolarHBondContact CA-OE2 3.37Å; K446-E516 HydrophobicContact CD-CG 4.45Å; K446-E516 WeakPolarHBondContact CE-OE1 3.49Å; K446-E516 HydrophobicContact CG-CB 4.39Å; K446-E516 HydrophobicContact CG-CG 3.51Å; K446-E516 VanDerWaalsContact CG-OE1 3.24Å; K446-E516 WeakPolarHBondContact CG-OE1 3.33Å; K446-E520 VanDerWaalsContact CE-CG 3.45Å; K446-E520 WeakPolarHBondContact CE-OE1 3.33Å; K446-E520 VanDerWaalsContact NZ-CG 3.32Å; K446-E520 IonicContact NZ-OE1 2.71Å; K446-E520 PolarHBondContact NZ-OE1 3.03Å; K446-D523 IonicContact NZ-OD2 2.78Å; K446-D523 PolarHBondContact NZ-OD2 3.18Å
447	A	68.3	Low	73.1	Confident	27 Å²	27	60.1 Å²	60.1	22%	0.223	28%	0.278	C	S	.	.	H	α-helix	trans	-93.6	-17.6	-179.3	0	0	0	0	0	111.3	Y443 E444 L445 R451	Y443-A447 WeakPolarHBondContact O-CA 3.41Å; Y443-A447 WeakPolarHBondContact O-CB 2.97Å; Y443-A447 PolarHBondContact O-N 3.19Å; E444-A447 CarbonylContact O-C 3.53Å; L445-A447 PolarHBondContact O-N 3.15Å; A447-R451 VanDerWaalsContact O-CA 3.24Å; A447-R451 WeakPolarHBondContact O-CA 3.18Å; A447-R451 WeakPolarHBondContact O-CB 3.36Å; A447-R451 WeakPolarHBondContact O-CD 3.32Å; A447-R451 WeakPolarHBondContact O-CG 3.38Å; A447-R451 PolarHBondContact O-N 2.95Å; A447-R451 PolarHBondContact O-NE 3.39Å
448	L	80.8	Confident	73.6	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-77.2	-43.9	167.7	-82.1	167.6	0	0	0	107.1	D436 E444 L445 R451 H452 L512	D436-L448 VanDerWaalsContact OD2-CD2 3.23Å; D436-L448 WeakPolarHBondContact OD2-CD2 3.45Å; E444-L448 WeakPolarHBondContact O-CA 3.39Å; E444-L448 WeakPolarHBondContact O-CB 3.48Å; E444-L448 WeakPolarHBondContact O-CD1 3.41Å; E444-L448 WeakPolarHBondContact O-CG 3.46Å; E444-L448 PolarHBondContact O-N 2.95Å; L445-L448 PolarHBondContact O-N 3.18Å; L448-R451 CarbonylContact O-C 3.59Å; L448-R451 PolarHBondContact O-N 3.47Å; L448-H452 WeakPolarHBondContact O-CB 3.46Å; L448-H452 PolarHBondContact O-N 2.9Å; L448-L512 HydrophobicContact CB-CD1 4.42Å; L448-L512 HydrophobicContact CB-CD2 3.37Å; L448-L512 HydrophobicContact CB-CG 4.49Å; L448-L512 HydrophobicContact CD1-CD2 4.31Å; L448-L512 HydrophobicContact CG-CD2 4.39Å; L448-L512 WeakPolarHBondContact O-CD1 2.99Å
449	R	81.2	Confident	74.7	Confident	52 Å²	52	55.7 Å²	55.7	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-53.8	169.7	-166.2	-173	62	128.5	-17.6	111.2	L445 R451 H452 E453 L512 K513 E516	L445-R449 VanDerWaalsContact O-CB 3.3Å; L445-R449 WeakPolarHBondContact O-CB 3.43Å; L445-R449 PolarHBondContact O-N 3.43Å; R449-R451 VanDerWaalsContact C-N 3.31Å; R449-R451 PolarHBondContact O-N 2.91Å; R449-H452 CarbonylContact O-C 3.46Å; R449-H452 WeakPolarHBondContact O-CA 3.38Å; R449-H452 WeakPolarHBondContact O-CB 3.5Å; R449-H452 PolarHBondContact O-N 3.46Å; R449-E453 HydrophobicContact CG-CG 4.35Å; R449-E453 IonicContact CZ-OE1 3.34Å; R449-E453 IonicContact CZ-OE2 3.95Å; R449-E453 IonicContact NE-OE1 2.58Å; R449-E453 IonicContact NH1-OE1 3.32Å; R449-E453 PolarHBondContact NH1-OE1 3.15Å; R449-E453 IonicContact NH1-OE2 2.82Å; R449-E453 WeakPolarHBondContact O-CB 3.36Å; R449-E453 WeakPolarHBondContact O-CG 3.47Å; R449-E453 PolarHBondContact O-N 2.71Å; R449-L512 HydrophobicContact CB-CB 3.8Å; R449-L512 HydrophobicContact CG-CB 4.06Å; R449-K513 HydrophobicContact CG-CG 4.24Å; R449-E516 WeakPolarHBondContact CB-OE2 3.08Å; R449-E516 VanDerWaalsContact CD-OE2 3.32Å; R449-E516 WeakPolarHBondContact CD-OE2 3.43Å; R449-E516 IonicContact CZ-OE1 2.76Å; R449-E516 IonicContact CZ-OE2 3.47Å; R449-E516 IonicContact NE-OE1 2.68Å; R449-E516 IonicContact NE-OE2 3.54Å; R449-E516 PolarHBondContact NE-OE2 2.9Å; R449-E516 VanDerWaalsContact NH2-CD 3.32Å; R449-E516 IonicContact NH2-OE1 3.49Å; R449-E516 PolarHBondContact NH2-OE1 3.27Å; R449-E516 IonicContact NH2-OE2 2.66Å; R449-E516 PolarHBondContact NH2-OE2 2.66Å
450	K	69.9	Low	75.7	Confident	127 Å²	127	48.2 Å²	48.2	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-64.7	-30.8	174.5	-75.2	-179.2	176.2	-174	0	111.9	K446 H452 A454	K446-K450 VanDerWaalsContact O-CA 3.29Å; K446-K450 WeakPolarHBondContact O-CA 3.21Å; K446-K450 WeakPolarHBondContact O-CB 3.45Å; K446-K450 WeakPolarHBondContact O-CG 3.5Å; K446-K450 PolarHBondContact O-N 3.46Å; K450-H452 VanDerWaalsContact C-N 3.26Å; K450-A454 WeakPolarHBondContact O-CA 3.46Å; K450-A454 WeakPolarHBondContact O-CB 3.29Å; K450-A454 PolarHBondContact O-N 3.12Å
451	R	80.8	Confident	76.7	Confident	139 Å²	139	50.1 Å²	50.1	53%	0.525	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-31.7	170.4	-87	174.9	-82.6	168.1	-11.4	110.7	A447 L448 R449 A454 F455	A447-R451 VanDerWaalsContact O-CA 3.24Å; A447-R451 WeakPolarHBondContact O-CA 3.18Å; A447-R451 WeakPolarHBondContact O-CB 3.36Å; A447-R451 WeakPolarHBondContact O-CD 3.32Å; A447-R451 WeakPolarHBondContact O-CG 3.38Å; A447-R451 PolarHBondContact O-N 2.95Å; A447-R451 PolarHBondContact O-NE 3.39Å; L448-R451 CarbonylContact O-C 3.59Å; L448-R451 PolarHBondContact O-N 3.47Å; R449-R451 VanDerWaalsContact C-N 3.31Å; R449-R451 PolarHBondContact O-N 2.91Å; R451-A454 CarbonylContact O-C 3.44Å; R451-F455 WeakPolarHBondContact O-CA 3.36Å; R451-F455 WeakPolarHBondContact O-CB 3.5Å; R451-F455 PolarHBondContact O-N 3.47Å
452	H	85.3	Confident	77.7	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-77.8	-41.8	177.8	-169.8	80.6	0	0	0	111	L448 R449 K450 A454 F455 E456 S505 R508 S509 L512	L448-H452 WeakPolarHBondContact O-CB 3.46Å; L448-H452 PolarHBondContact O-N 2.9Å; R449-H452 CarbonylContact O-C 3.46Å; R449-H452 WeakPolarHBondContact O-CA 3.38Å; R449-H452 WeakPolarHBondContact O-CB 3.5Å; R449-H452 PolarHBondContact O-N 3.46Å; K450-H452 VanDerWaalsContact C-N 3.26Å; H452-A454 VanDerWaalsContact C-N 3.34Å; H452-F455 CarbonylContact O-C 3.42Å; H452-F455 WeakPolarHBondContact O-CB 3.31Å; H452-F455 PolarHBondContact O-N 3.28Å; H452-E456 IonicContact CD2-OE1 2.7Å; H452-E456 IonicContact CD2-OE2 2.71Å; H452-E456 IonicContact NE2-OE1 3.57Å; H452-E456 PolarHBondContact NE2-OE1 2.93Å; H452-E456 WeakPolarHBondContact O-CB 3.45Å; H452-E456 WeakPolarHBondContact O-CG 3.43Å; H452-E456 PolarHBondContact O-N 3.27Å; H452-S505 PolarHBondContact CE1-O 2.76Å; H452-S505 PolarHBondContact CE1-OG 3.28Å; H452-S505 VanDerWaalsContact CE1-OG 3.27Å; H452-S505 PolarHBondContact NE2-O 2.93Å; H452-S505 PolarHBondContact NE2-OG 3.27Å; H452-R508 WeakPolarHBondContact ND1-CD 3.45Å; H452-R508 WeakPolarHBondContact ND1-CG 3.48Å; H452-S509 WeakPolarHBondContact CD2-CA 3.42Å; H452-S509 WeakPolarHBondContact CD2-CB 3.35Å; H452-S509 PolarHBondContact CD2-N 2.88Å; H452-S509 WeakPolarHBondContact NE2-CB 3.25Å; H452-S509 PolarHBondContact NE2-N 3.4Å; H452-L512 HydrophobicContact CB-CD1 3.39Å
453	E	82.2	Confident	79	Confident	64 Å²	64	51.9 Å²	51.9	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-37	170	-71.4	176.9	172.8	0	0	110.8	R449 E456 S457	R449-E453 HydrophobicContact CG-CG 4.35Å; R449-E453 IonicContact CZ-OE1 3.34Å; R449-E453 IonicContact CZ-OE2 3.95Å; R449-E453 IonicContact NE-OE1 2.58Å; R449-E453 IonicContact NH1-OE1 3.32Å; R449-E453 PolarHBondContact NH1-OE1 3.15Å; R449-E453 IonicContact NH1-OE2 2.82Å; R449-E453 WeakPolarHBondContact O-CB 3.36Å; R449-E453 WeakPolarHBondContact O-CG 3.47Å; R449-E453 PolarHBondContact O-N 2.71Å; E453-E456 CarbonylContact O-C 3.58Å; E453-E456 PolarHBondContact O-N 3.05Å; E453-S457 WeakPolarHBondContact O-CB 3.41Å; E453-S457 PolarHBondContact O-N 3.4Å
454	A	77.3	Confident	80.6	Confident	54 Å²	54	51.5 Å²	51.5	45%	0.446	28%	0.278	S	S	.	.	H	α-helix	trans	-72.6	-31.2	171.6	0	0	0	0	0	111.1	K450 R451 H452 S457 D458	K450-A454 WeakPolarHBondContact O-CA 3.46Å; K450-A454 WeakPolarHBondContact O-CB 3.29Å; K450-A454 PolarHBondContact O-N 3.12Å; R451-A454 CarbonylContact O-C 3.44Å; H452-A454 VanDerWaalsContact C-N 3.34Å; A454-S457 PolarHBondContact O-N 3.38Å; A454-D458 WeakPolarHBondContact O-CA 3.28Å; A454-D458 WeakPolarHBondContact O-CB 3.38Å; A454-D458 PolarHBondContact O-N 3.38Å
455	F	86.3	Confident	81.5	Confident	11 Å²	11	53.2 Å²	53.2	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-38.3	170.1	173.8	-93.2	0	0	0	110.1	W424 K428 M431 L432 R451 H452 D458 M459 I501	W424-F455 HydrophobicContact CH2-CE2 4.15Å; W424-F455 HydrophobicContact CH2-CZ 4.23Å; W424-F455 AromaticContact CZ2-CE2 3.87Å; W424-F455 HydrophobicContact CZ2-CE2 3.87Å; W424-F455 HydrophobicContact CZ2-CZ 4.38Å; K428-F455 HydrophobicContact CB-CE2 4.39Å; K428-F455 HydrophobicContact CD-CE2 4.02Å; K428-F455 HydrophobicContact CG-CE2 4.36Å; M431-F455 HydrophobicContact CE-CB 4.49Å; M431-F455 HydrophobicContact CE-CD2 3.66Å; M431-F455 HydrophobicContact CE-CE2 4.01Å; M431-F455 HydrophobicContact CE-CG 3.95Å; L432-F455 HydrophobicContact CD1-CE1 3.72Å; L432-F455 HydrophobicContact CD1-CZ 3.86Å; L432-F455 HydrophobicContact CD2-CD1 3.8Å; L432-F455 HydrophobicContact CD2-CE1 3.57Å; L432-F455 HydrophobicContact CD2-CZ 4.21Å; L432-F455 HydrophobicContact CG-CE1 4.01Å; L432-F455 HydrophobicContact CG-CZ 4.21Å; R451-F455 WeakPolarHBondContact O-CA 3.36Å; R451-F455 WeakPolarHBondContact O-CB 3.5Å; R451-F455 PolarHBondContact O-N 3.47Å; H452-F455 CarbonylContact O-C 3.42Å; H452-F455 WeakPolarHBondContact O-CB 3.31Å; H452-F455 PolarHBondContact O-N 3.28Å; F455-D458 PolarHBondContact O-N 3.43Å; F455-M459 HydrophobicContact CE1-CB 4.47Å; F455-M459 HydrophobicContact CE1-SD 4.44Å; F455-M459 WeakPolarHBondContact O-CA 3.43Å; F455-M459 WeakPolarHBondContact O-CB 3.35Å; F455-M459 PolarHBondContact O-N 2.98Å; F455-I501 HydrophobicContact CE1-CG2 4.29Å; F455-I501 HydrophobicContact CZ-CG2 3.81Å
456	E	85.7	Confident	82.5	Confident	56 Å²	56	53.1 Å²	53.1	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-37.5	173.8	-76.2	175.7	163.8	0	0	111	H452 E453 S460 S505 S509	H452-E456 IonicContact CD2-OE1 2.7Å; H452-E456 IonicContact CD2-OE2 2.71Å; H452-E456 IonicContact NE2-OE1 3.57Å; H452-E456 PolarHBondContact NE2-OE1 2.93Å; H452-E456 WeakPolarHBondContact O-CB 3.45Å; H452-E456 WeakPolarHBondContact O-CG 3.43Å; H452-E456 PolarHBondContact O-N 3.27Å; E453-E456 CarbonylContact O-C 3.58Å; E453-E456 PolarHBondContact O-N 3.05Å; E456-S460 VanDerWaalsContact O-CB 3.23Å; E456-S460 WeakPolarHBondContact O-CB 3.45Å; E456-S460 PolarHBondContact O-N 3.3Å; E456-S505 WeakPolarHBondContact CG-OG 3.31Å; E456-S505 PolarHBondContact OE1-OG 2.86Å; E456-S505 VanDerWaalsContact OE1-OG 3.06Å; E456-S509 PolarHBondContact OE2-OG 2.97Å
457	S	83	Confident	83.6	Confident	77 Å²	77	56.7 Å²	56.7	54%	0.538	30%	0.3	S	S	.	.	H	α-helix	trans	-70.1	-41.1	173.5	-171.9	0	0	0	0	111.5	E453 A454 S460 A461	E453-S457 WeakPolarHBondContact O-CB 3.41Å; E453-S457 PolarHBondContact O-N 3.4Å; A454-S457 PolarHBondContact O-N 3.38Å; S457-S460 CarbonylContact O-C 3.59Å; S457-S460 PolarHBondContact O-N 3.03Å; S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 3.41Å
458	D	83.1	Confident	84.8	Confident	64 Å²	64	58.6 Å²	58.6	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-68.3	-40.7	175.2	179	47.2	0	0	0	109.8	W424 A454 F455 S460 A461 N462	W424-D458 PolarHBondContact NE1-OD2 3.13Å; A454-D458 WeakPolarHBondContact O-CA 3.28Å; A454-D458 WeakPolarHBondContact O-CB 3.38Å; A454-D458 PolarHBondContact O-N 3.38Å; F455-D458 PolarHBondContact O-N 3.43Å; D458-S460 VanDerWaalsContact C-N 3.35Å; D458-A461 CarbonylContact O-C 3.36Å; D458-A461 PolarHBondContact O-N 2.86Å; D458-A461 VanDerWaalsContact O-N 3.15Å; D458-N462 WeakPolarHBondContact O-CB 3.46Å; D458-N462 PolarHBondContact O-N 3.06Å; D458-N462 PolarHBondContact O-ND2 3.25Å; D458-N462 PolarHBondContact OD1-ND2 3.49Å; D458-N462 PolarHBondContact OD2-ND2 3.42Å
459	M	85.7	Confident	85.4	Confident	21 Å²	21	58.4 Å²	58.4	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-47.2	171	-173.6	-174.6	176.9	0	0	109.6	W424 F455 A461 N462 Q463 W498 I501 G502	W424-M459 HydrophobicContact CH2-CB 4.33Å; W424-M459 HydrophobicContact CH2-CG 4.26Å; F455-M459 HydrophobicContact CE1-CB 4.47Å; F455-M459 HydrophobicContact CE1-SD 4.44Å; F455-M459 WeakPolarHBondContact O-CA 3.43Å; F455-M459 WeakPolarHBondContact O-CB 3.35Å; F455-M459 PolarHBondContact O-N 2.98Å; M459-A461 PolarHBondContact O-N 3.33Å; M459-N462 CarbonylContact O-C 3.57Å; M459-N462 PolarHBondContact O-N 3.06Å; M459-N462 VanDerWaalsContact O-N 3.13Å; M459-Q463 PolarHBondContact O-N 3.15Å; M459-W498 HydrophobicContact CB-CH2 4.31Å; M459-W498 HydrophobicContact CE-CD2 4.18Å; M459-W498 HydrophobicContact CE-CH2 4.16Å; M459-W498 HydrophobicContact CE-CZ2 3.7Å; M459-W498 HydrophobicContact CG-CH2 3.44Å; M459-W498 VanDerWaalsContact CG-CH2 3.44Å; M459-W498 HydrophobicContact CG-CZ2 3.58Å; M459-W498 HydrophobicContact CG-CZ3 4.26Å; M459-W498 WeakPolarHBondContact O-CH2 3.49Å; M459-W498 WeakPolarHBondContact O-CZ2 3.34Å; M459-I501 HydrophobicContact CE-CB 4.38Å; M459-I501 HydrophobicContact CE-CG2 4.1Å; M459-I501 HydrophobicContact SD-CG2 4.05Å; M459-G502 VanDerWaalsContact CE-N 3.34Å
460	S	85.9	Confident	85.9	Confident	87 Å²	87	57.3 Å²	57.3	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-63	-29.1	174.8	-170.9	0	0	0	0	112.7	E456 S457 D458 Q463	E456-S460 VanDerWaalsContact O-CB 3.23Å; E456-S460 WeakPolarHBondContact O-CB 3.45Å; E456-S460 PolarHBondContact O-N 3.3Å; S457-S460 CarbonylContact O-C 3.59Å; S457-S460 PolarHBondContact O-N 3.03Å; D458-S460 VanDerWaalsContact C-N 3.35Å; S460-Q463 VanDerWaalsContact O-CB 3.23Å; S460-Q463 WeakPolarHBondContact O-CB 3.41Å
461	A	83	Confident	87.1	Confident	63 Å²	63	53.7 Å²	53.7	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-78.1	-33.2	174.6	0	0	0	0	0	112.1	S457 D458 M459 Q463	S457-A461 WeakPolarHBondContact O-CB 3.43Å; S457-A461 PolarHBondContact O-N 3.41Å; D458-A461 CarbonylContact O-C 3.36Å; D458-A461 PolarHBondContact O-N 2.86Å; D458-A461 VanDerWaalsContact O-N 3.15Å; M459-A461 PolarHBondContact O-N 3.33Å; A461-Q463 VanDerWaalsContact C-N 3.26Å
462	N	85.8	Confident	87.6	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.011	27%	0.274	C	S	.	.	H	α-helix	trans	-77.2	-13.7	174.9	-73.1	-59.1	0	0	0	112.4	W424 D458 M459 D464 R465 V466 W498	W424-N462 VanDerWaalsContact CE2-ND2 3.28Å; W424-N462 PolarHBondContact NE1-ND2 3.34Å; D458-N462 WeakPolarHBondContact O-CB 3.46Å; D458-N462 PolarHBondContact O-N 3.06Å; D458-N462 PolarHBondContact O-ND2 3.25Å; D458-N462 PolarHBondContact OD1-ND2 3.49Å; D458-N462 PolarHBondContact OD2-ND2 3.42Å; M459-N462 CarbonylContact O-C 3.57Å; M459-N462 PolarHBondContact O-N 3.06Å; M459-N462 VanDerWaalsContact O-N 3.13Å; N462-D464 VanDerWaalsContact C-N 3.3Å; N462-D464 PolarHBondContact O-N 3.4Å; N462-R465 WeakPolarHBondContact O-CA 3.33Å; N462-R465 VanDerWaalsContact O-CB 3.3Å; N462-R465 WeakPolarHBondContact O-CB 3.45Å; N462-R465 PolarHBondContact O-N 3.48Å; N462-R465 PolarHBondContact OD1-NH1 3.2Å; N462-R465 PolarHBondContact OD1-NH2 3.36Å; N462-V466 PolarHBondContact O-N 3.43Å; N462-W498 HydrophobicContact CB-CH2 3.67Å; N462-W498 HydrophobicContact CB-CZ3 4Å
463	Q	89.9	Confident	88	Confident	69 Å²	69	47.6 Å²	47.6	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-51.7	-50.7	168.7	179.9	64.1	26.4	0	0	111	M459 S460 A461 R465 V466 E467 W498	M459-Q463 PolarHBondContact O-N 3.15Å; S460-Q463 VanDerWaalsContact O-CB 3.23Å; S460-Q463 WeakPolarHBondContact O-CB 3.41Å; A461-Q463 VanDerWaalsContact C-N 3.26Å; Q463-R465 PolarHBondContact O-N 3.48Å; Q463-V466 PolarHBondContact O-N 3.15Å; Q463-V466 VanDerWaalsContact O-N 3.08Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.32Å; Q463-E467 PolarHBondContact NE2-OE1 3.19Å; Q463-E467 WeakPolarHBondContact O-CG 3.27Å; Q463-E467 PolarHBondContact O-N 3.03Å; Q463-W498 HydrophobicContact CB-CZ2 4.18Å
464	D	88.1	Confident	88.5	Confident	85 Å²	85	53.2 Å²	53.2	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-34.3	178.2	177.7	70.2	0	0	0	111.4	N462 E467 Q468	N462-D464 VanDerWaalsContact C-N 3.3Å; N462-D464 PolarHBondContact O-N 3.4Å; D464-E467 PolarHBondContact O-N 2.96Å; D464-Q468 WeakPolarHBondContact O-CB 3.42Å; D464-Q468 WeakPolarHBondContact O-CG 3.29Å; D464-Q468 PolarHBondContact O-N 2.97Å; D464-Q468 PolarHBondContact OD2-NE2 3.31Å
465	R	89	Confident	89.3	Confident	74 Å²	74	53.4 Å²	53.4	28%	0.279	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-42.2	175.6	-169.8	179.2	-58.2	159.9	10.1	112.2	N462 Q463 Q468 I469	N462-R465 WeakPolarHBondContact O-CA 3.33Å; N462-R465 VanDerWaalsContact O-CB 3.3Å; N462-R465 WeakPolarHBondContact O-CB 3.45Å; N462-R465 PolarHBondContact O-N 3.48Å; N462-R465 PolarHBondContact OD1-NH1 3.2Å; N462-R465 PolarHBondContact OD1-NH2 3.36Å; Q463-R465 PolarHBondContact O-N 3.48Å; R465-Q468 PolarHBondContact O-N 3.15Å; R465-I469 WeakPolarHBondContact O-CG1 3.07Å; R465-I469 PolarHBondContact O-N 3.09Å
466	V	91.8	Very high	89.6	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-64.3	-44.8	175.7	177.7	0	0	0	0	109.8	H421 N462 Q463 Q468 I469 V470 I494 W498	H421-V466 WeakPolarHBondContact NE2-CG2 3.44Å; N462-V466 PolarHBondContact O-N 3.43Å; Q463-V466 PolarHBondContact O-N 3.15Å; Q463-V466 VanDerWaalsContact O-N 3.08Å; V466-Q468 VanDerWaalsContact C-N 3.33Å; V466-Q468 PolarHBondContact O-N 3.35Å; V466-I469 PolarHBondContact O-N 3.38Å; V466-I469 VanDerWaalsContact O-N 3.14Å; V466-V470 WeakPolarHBondContact O-CG2 3.47Å; V466-V470 PolarHBondContact O-N 3.3Å; V466-I494 HydrophobicContact CG1-CG2 4.37Å; V466-W498 HydrophobicContact CG2-CD2 3.84Å; V466-W498 HydrophobicContact CG2-CE3 3.72Å; V466-W498 HydrophobicContact CG2-CG 4.25Å; V466-W498 HydrophobicContact CG2-CZ3 4.11Å
467	E	92.3	Very high	89.9	Confident	104 Å²	104	51.9 Å²	51.9	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-41.7	175.6	-70.1	177.5	-167.8	0	0	112	Q463 D464 V470 A471	Q463-E467 WeakPolarHBondContact CG-OE1 3.32Å; Q463-E467 PolarHBondContact NE2-OE1 3.19Å; Q463-E467 WeakPolarHBondContact O-CG 3.27Å; Q463-E467 PolarHBondContact O-N 3.03Å; D464-E467 PolarHBondContact O-N 2.96Å; E467-V470 PolarHBondContact O-N 2.91Å; E467-A471 WeakPolarHBondContact O-CB 3.49Å; E467-A471 PolarHBondContact O-N 3.18Å
468	Q	92.9	Very high	90.3	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174	-75.5	-178.8	28.6	0	0	112.6	D464 R465 V466 V470 A471 I472	D464-Q468 WeakPolarHBondContact O-CB 3.42Å; D464-Q468 WeakPolarHBondContact O-CG 3.29Å; D464-Q468 PolarHBondContact O-N 2.97Å; D464-Q468 PolarHBondContact OD2-NE2 3.31Å; R465-Q468 PolarHBondContact O-N 3.15Å; V466-Q468 VanDerWaalsContact C-N 3.33Å; V466-Q468 PolarHBondContact O-N 3.35Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; Q468-A471 PolarHBondContact O-N 2.88Å; Q468-I472 WeakPolarHBondContact O-CB 3.45Å; Q468-I472 WeakPolarHBondContact O-CD1 3.35Å; Q468-I472 VanDerWaalsContact O-CG1 3.23Å; Q468-I472 WeakPolarHBondContact O-CG1 3.23Å; Q468-I472 PolarHBondContact O-N 3.37Å
469	I	93.3	Very high	90.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-46.1	175.9	-71.7	166.9	0	0	0	109.8	F414 K417 H421 R465 V466 A471 I472 A473 I494	F414-I469 HydrophobicContact CD2-CG2 4.17Å; F414-I469 HydrophobicContact CE2-CG2 3.66Å; K417-I469 HydrophobicContact CB-CD1 4.17Å; K417-I469 HydrophobicContact CB-CG1 3.76Å; H421-I469 HydrophobicContact CB-CD1 3.88Å; R465-I469 WeakPolarHBondContact O-CG1 3.07Å; R465-I469 PolarHBondContact O-N 3.09Å; V466-I469 PolarHBondContact O-N 3.38Å; V466-I469 VanDerWaalsContact O-N 3.14Å; I469-A471 VanDerWaalsContact C-N 3.35Å; I469-A471 PolarHBondContact O-N 3.36Å; I469-I472 PolarHBondContact O-N 3Å; I469-A473 PolarHBondContact O-N 2.89Å; I469-I494 HydrophobicContact CG2-CD1 4.41Å
470	V	93.6	Very high	90.7	Very high	29 Å²	29	56.9 Å²	56.9	18%	0.176	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-42.2	176.1	176.9	0	0	0	0	111.1	V466 E467 Q468 A473 R474	V466-V470 WeakPolarHBondContact O-CG2 3.47Å; V466-V470 PolarHBondContact O-N 3.3Å; E467-V470 PolarHBondContact O-N 2.91Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; V470-A473 PolarHBondContact O-N 3.44Å; V470-R474 WeakPolarHBondContact O-CG 3.33Å; V470-R474 PolarHBondContact O-N 3.35Å
471	A	93.4	Very high	90.7	Very high	51 Å²	51	54 Å²	54	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-45	178	0	0	0	0	0	111.9	E467 Q468 I469 A473 R474 E475	E467-A471 WeakPolarHBondContact O-CB 3.49Å; E467-A471 PolarHBondContact O-N 3.18Å; Q468-A471 PolarHBondContact O-N 2.88Å; I469-A471 VanDerWaalsContact C-N 3.35Å; I469-A471 PolarHBondContact O-N 3.36Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 3.36Å; A471-R474 PolarHBondContact O-N 3.45Å; A471-E475 PolarHBondContact O-N 3.44Å
472	I	92.9	Very high	90.9	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-40.8	176.7	-67.3	163.1	0	0	0	110.8	L410 K413 F414 K417 Q468 I469 R474 E475 L476	L410-I472 HydrophobicContact CB-CG2 4.43Å; L410-I472 HydrophobicContact CD2-CG2 4.27Å; K413-I472 HydrophobicContact CD-CD1 3.91Å; K413-I472 HydrophobicContact CG-CD1 3.97Å; F414-I472 HydrophobicContact CB-CG2 3.82Å; F414-I472 HydrophobicContact CD2-CG2 4.25Å; K417-I472 HydrophobicContact CD-CD1 3.56Å; Q468-I472 WeakPolarHBondContact O-CB 3.45Å; Q468-I472 WeakPolarHBondContact O-CD1 3.35Å; Q468-I472 VanDerWaalsContact O-CG1 3.23Å; Q468-I472 WeakPolarHBondContact O-CG1 3.23Å; Q468-I472 PolarHBondContact O-N 3.37Å; I469-I472 PolarHBondContact O-N 3Å; I472-R474 VanDerWaalsContact C-N 3.34Å; I472-R474 PolarHBondContact O-N 3.43Å; I472-E475 PolarHBondContact O-N 2.84Å; I472-L476 HydrophobicContact CG2-CD1 4.17Å; I472-L476 HydrophobicContact CG2-CG 4.49Å; I472-L476 WeakPolarHBondContact O-CG 3.14Å; I472-L476 PolarHBondContact O-N 3.33Å
473	A	93.3	Very high	91	Very high	3 Å²	3	61.7 Å²	61.7	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-42.3	175.8	0	0	0	0	0	111.9	F414 I469 V470 A471 L476 A477 V487 C491	F414-A473 HydrophobicContact CD2-CB 4.37Å; F414-A473 HydrophobicContact CE2-CB 3.89Å; I469-A473 PolarHBondContact O-N 2.89Å; V470-A473 PolarHBondContact O-N 3.44Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 3.36Å; A473-L476 PolarHBondContact O-N 3.41Å; A473-A477 PolarHBondContact O-N 3.34Å; A473-V487 HydrophobicContact CB-CG1 3.85Å; A473-C491 HydrophobicContact CB-CB 4.26Å
474	R	93	Very high	91	Very high	183 Å²	183	60.2 Å²	60.2	69%	0.691	31%	0.306	S	S	*	.	H	α-helix	trans	-64.2	-39.3	174.3	-71.5	175.4	-178.7	170.3	3	112.3	V470 A471 I472 A477 A478	V470-R474 WeakPolarHBondContact O-CG 3.33Å; V470-R474 PolarHBondContact O-N 3.35Å; A471-R474 PolarHBondContact O-N 3.45Å; I472-R474 VanDerWaalsContact C-N 3.34Å; I472-R474 PolarHBondContact O-N 3.43Å; R474-A477 WeakPolarHBondContact O-CB 3.46Å; R474-A477 PolarHBondContact O-N 3.31Å; R474-A478 PolarHBondContact O-N 2.99Å
475	E	92.9	Very high	91.2	Very high	58 Å²	58	59.9 Å²	59.9	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-66.1	-42.7	177	-166.9	-178.9	163.3	0	0	111.8	R406 L410 A471 I472 A477 A478 L479	R406-E475 IonicContact CZ-OE1 2.7Å; R406-E475 IonicContact NE-OE1 2.88Å; R406-E475 PolarHBondContact NE-OE1 2.87Å; R406-E475 IonicContact NH2-OE1 2.9Å; R406-E475 PolarHBondContact NH2-OE1 3.17Å; L410-E475 HydrophobicContact CD1-CB 4.43Å; L410-E475 HydrophobicContact CD1-CG 3.83Å; L410-E475 WeakPolarHBondContact CD1-OE1 3.33Å; A471-E475 PolarHBondContact O-N 3.44Å; I472-E475 PolarHBondContact O-N 2.84Å; E475-A477 VanDerWaalsContact C-N 3.26Å; E475-A477 PolarHBondContact O-N 3.2Å; E475-A478 PolarHBondContact O-N 3.21Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 2.91Å
476	L	93.3	Very high	91.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-39.4	171.6	-76.1	168.6	0	0	0	111.6	L407 L410 A411 F414 I472 A473 L479 H480 Y481 L484 V487	L407-L476 HydrophobicContact CD2-CD2 3.73Å; L410-L476 HydrophobicContact CB-CD2 3.63Å; L410-L476 HydrophobicContact CB-CG 4.04Å; L410-L476 HydrophobicContact CD1-CD2 4.46Å; A411-L476 HydrophobicContact CB-CD2 4.39Å; F414-L476 HydrophobicContact CB-CD1 4.08Å; F414-L476 HydrophobicContact CG-CD1 4.33Å; I472-L476 HydrophobicContact CG2-CD1 4.17Å; I472-L476 HydrophobicContact CG2-CG 4.49Å; I472-L476 WeakPolarHBondContact O-CG 3.14Å; I472-L476 PolarHBondContact O-N 3.33Å; A473-L476 PolarHBondContact O-N 3.41Å; L476-L479 PolarHBondContact O-N 3.11Å; L476-H480 PolarHBondContact O-N 3.37Å; L476-Y481 HydrophobicContact CD2-CD2 4.34Å; L476-Y481 HydrophobicContact CD2-CG 4.22Å; L476-Y481 WeakPolarHBondContact O-CB 3.25Å; L476-Y481 PolarHBondContact O-N 2.77Å; L476-L484 HydrophobicContact CB-CD2 4.39Å; L476-V487 HydrophobicContact CD1-CG1 4.08Å; L476-V487 HydrophobicContact CD1-CG2 4.4Å
477	A	90.8	Very high	91.5	Very high	35 Å²	35	59.3 Å²	59.3	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-43.6	175.4	0	0	0	0	0	112.7	A473 R474 E475 L479 H480 L484	A473-A477 PolarHBondContact O-N 3.34Å; R474-A477 WeakPolarHBondContact O-CB 3.46Å; R474-A477 PolarHBondContact O-N 3.31Å; E475-A477 VanDerWaalsContact C-N 3.26Å; E475-A477 PolarHBondContact O-N 3.2Å; A477-L479 PolarHBondContact O-N 2.8Å; A477-H480 PolarHBondContact O-N 2.91Å; A477-H480 VanDerWaalsContact O-N 3.16Å; A477-L484 HydrophobicContact CB-CD2 3.82Å
478	A	91.9	Very high	91.5	Very high	74 Å²	74	58.2 Å²	58.2	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-62.3	-31	176.5	0	0	0	0	0	112.6	R474 E475 H480	R474-A478 PolarHBondContact O-N 2.99Å; E475-A478 PolarHBondContact O-N 3.21Å; A478-H480 VanDerWaalsContact C-N 3.34Å
479	L	90.1	Very high	91.5	Very high	37 Å²	37	59.2 Å²	59.2	19%	0.194	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	8.4	178.5	-66.7	175.7	0	0	0	114.1	R403 R406 L407 L410 E475 L476 A477 Y481	R403-L479 HydrophobicContact CG-CD2 4.23Å; R403-L479 PolarHBondContact NH1-O 3.36Å; R406-L479 HydrophobicContact CG-CD1 4.22Å; L407-L479 HydrophobicContact CD2-CB 3.53Å; L407-L479 HydrophobicContact CD2-CD1 4.04Å; L407-L479 HydrophobicContact CD2-CG 4.46Å; L407-L479 HydrophobicContact CG-CB 4.13Å; L407-L479 HydrophobicContact CG-CD1 4.39Å; L410-L479 HydrophobicContact CD1-CD1 3.78Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 2.91Å; L476-L479 PolarHBondContact O-N 3.11Å; A477-L479 PolarHBondContact O-N 2.8Å; L479-Y481 PolarHBondContact O-N 3.12Å
480	H	87.3	Confident	91.5	Very high	155 Å²	155	62.9 Å²	62.9	72%	0.718	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	51.7	-179.6	-57.5	-59.3	0	0	0	113.4	L476 A477 A478	L476-H480 PolarHBondContact O-N 3.37Å; A477-H480 PolarHBondContact O-N 2.91Å; A477-H480 VanDerWaalsContact O-N 3.16Å; A478-H480 VanDerWaalsContact C-N 3.34Å
481	Y	87.1	Confident	91.6	Very high	27 Å²	27	62.1 Å²	62.1	11%	0.106	34%	0.337	C	S	.	.			trans	-58.3	147.9	172.7	-173.6	-118.3	0	0	0	111.8	L407 A411 L476 L479 D483 L484 V487	L407-Y481 HydrophobicContact CB-CD2 4.36Å; L407-Y481 HydrophobicContact CD1-CD2 4.43Å; L407-Y481 HydrophobicContact CD2-CD2 3.92Å; L407-Y481 HydrophobicContact CD2-CG 4.35Å; L407-Y481 HydrophobicContact CG-CD2 4.48Å; A411-Y481 HydrophobicContact CB-CE2 4.05Å; L476-Y481 HydrophobicContact CD2-CD2 4.34Å; L476-Y481 HydrophobicContact CD2-CG 4.22Å; L476-Y481 WeakPolarHBondContact O-CB 3.25Å; L476-Y481 PolarHBondContact O-N 2.77Å; L479-Y481 PolarHBondContact O-N 3.12Å; Y481-D483 HydrophobicContact CD1-CB 4.27Å; Y481-D483 HydrophobicContact CE1-CB 3.78Å; Y481-L484 VanDerWaalsContact O-CD1 3.26Å; Y481-L484 WeakPolarHBondContact O-CD1 3.4Å; Y481-L484 WeakPolarHBondContact O-CG 3.45Å; Y481-V487 HydrophobicContact CD1-CG2 4.23Å; Y481-V487 HydrophobicContact CE1-CG2 4.18Å
482	H	86.2	Confident	91.5	Very high	156 Å²	156	64.9 Å²	64.9	72%	0.722	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-33.5	-173.9	63.4	-85.8	0	0	0	113.2
483	D	88.5	Confident	91.6	Very high	70 Å²	70	69.8 Å²	69.8	37%	0.374	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	48.6	-178.4	-171.5	22.3	0	0	0	112.3	Y481 A485 S486 V487	Y481-D483 HydrophobicContact CD1-CB 4.27Å; Y481-D483 HydrophobicContact CE1-CB 3.78Å; D483-A485 VanDerWaalsContact C-N 3.29Å; D483-A485 PolarHBondContact O-N 2.9Å; D483-S486 WeakPolarHBondContact OD1-CB 3.36Å; D483-S486 WeakPolarHBondContact OD2-CB 3.47Å; D483-V487 WeakPolarHBondContact O-CG2 3.47Å; D483-V487 PolarHBondContact O-N 2.99Å
484	L	90.4	Very high	91.5	Very high	39 Å²	39	69.8 Å²	69.8	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-65.6	-29.8	-178.4	-80.1	167.6	0	0	0	114.1	L476 A477 Y481 V487 N488	L476-L484 HydrophobicContact CB-CD2 4.39Å; A477-L484 HydrophobicContact CB-CD2 3.82Å; Y481-L484 VanDerWaalsContact O-CD1 3.26Å; Y481-L484 WeakPolarHBondContact O-CD1 3.4Å; Y481-L484 WeakPolarHBondContact O-CG 3.45Å; L484-V487 PolarHBondContact O-N 3.28Å; L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.93Å; L484-N488 PolarHBondContact O-ND2 3.45Å
485	A	91.6	Very high	91.5	Very high	78 Å²	78	62.7 Å²	62.7	65%	0.645	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-46.6	-179.8	0	0	0	0	0	111.3	D483 D489	D483-A485 VanDerWaalsContact C-N 3.29Å; D483-A485 PolarHBondContact O-N 2.9Å; A485-D489 WeakPolarHBondContact O-CB 3.45Å; A485-D489 PolarHBondContact O-N 3.22Å; A485-D489 VanDerWaalsContact O-N 3.11Å
486	S	92.7	Very high	91.5	Very high	60 Å²	60	63.8 Å²	63.8	42%	0.42	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-42.8	178.4	-176	0	0	0	0	112.2	D483 R490	D483-S486 WeakPolarHBondContact OD1-CB 3.36Å; D483-S486 WeakPolarHBondContact OD2-CB 3.47Å; S486-R490 WeakPolarHBondContact O-CB 3.44Å; S486-R490 PolarHBondContact O-N 3.13Å
487	V	93.6	Very high	91.4	Very high	10 Å²	10	66.4 Å²	66.4	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-47.4	178.8	172.9	0	0	0	0	111.4	F414 A473 L476 Y481 D483 L484 R490 C491	F414-V487 HydrophobicContact CD1-CG1 4.24Å; F414-V487 HydrophobicContact CD1-CG2 4.41Å; F414-V487 HydrophobicContact CD2-CG1 4.39Å; F414-V487 HydrophobicContact CE1-CB 4.3Å; F414-V487 HydrophobicContact CE1-CG1 3.86Å; F414-V487 HydrophobicContact CE1-CG2 4.29Å; F414-V487 HydrophobicContact CE2-CG1 4.03Å; F414-V487 HydrophobicContact CG-CG1 4.49Å; F414-V487 HydrophobicContact CZ-CG1 3.75Å; A473-V487 HydrophobicContact CB-CG1 3.85Å; L476-V487 HydrophobicContact CD1-CG1 4.08Å; L476-V487 HydrophobicContact CD1-CG2 4.4Å; Y481-V487 HydrophobicContact CD1-CG2 4.23Å; Y481-V487 HydrophobicContact CE1-CG2 4.18Å; D483-V487 WeakPolarHBondContact O-CG2 3.47Å; D483-V487 PolarHBondContact O-N 2.99Å; L484-V487 PolarHBondContact O-N 3.28Å; V487-R490 PolarHBondContact O-N 3.49Å; V487-C491 WeakPolarHBondContact O-CB 3.23Å; V487-C491 PolarHBondContact O-N 2.94Å
488	N	92.4	Very high	91.5	Very high	81 Å²	81	65.4 Å²	65.4	43%	0.433	35%	0.345	S	S	.	.	H	α-helix	trans	-66.4	-44.5	-178.6	-74.1	-21.3	0	0	0	112.3	L484 R490 C491 Q492	L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.93Å; L484-N488 PolarHBondContact O-ND2 3.45Å; N488-R490 VanDerWaalsContact C-N 3.31Å; N488-R490 PolarHBondContact O-N 3.13Å; N488-C491 PolarHBondContact O-N 3.32Å; N488-Q492 PolarHBondContact O-N 3.41Å
489	D	93.9	Very high	91.4	Very high	86 Å²	86	67 Å²	67	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-61.6	-39.1	176.8	175.3	57.5	0	0	0	111.7	A485 R493	A485-D489 WeakPolarHBondContact O-CB 3.45Å; A485-D489 PolarHBondContact O-N 3.22Å; A485-D489 VanDerWaalsContact O-N 3.11Å; D489-R493 PolarHBondContact O-N 2.94Å; D489-R493 IonicContact OD1-CZ 2.85Å; D489-R493 IonicContact OD1-NH1 2.84Å; D489-R493 PolarHBondContact OD1-NH1 2.97Å; D489-R493 IonicContact OD2-CZ 3.46Å; D489-R493 IonicContact OD2-NH1 2.9Å; D489-R493 PolarHBondContact OD2-NH1 3.38Å; D489-R493 IonicContact OD2-NH2 3.33Å; D489-R493 PolarHBondContact OD2-NH2 3.39Å
490	R	93.8	Very high	91.5	Very high	79 Å²	79	72 Å²	72	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-42	174.1	-173.9	54.4	170.1	172.2	-5.1	112.7	F414 D422 S486 V487 N488 R493 I494	F414-R490 HydrophobicContact CE1-CB 4.37Å; F414-R490 HydrophobicContact CE1-CG 4.35Å; F414-R490 HydrophobicContact CZ-CB 4.33Å; F414-R490 HydrophobicContact CZ-CG 4.39Å; D422-R490 IonicContact OD1-CZ 3.05Å; D422-R490 IonicContact OD1-NH2 3.73Å; D422-R490 PolarHBondContact OD1-NH2 3.32Å; D422-R490 IonicContact OD2-CZ 2.77Å; D422-R490 IonicContact OD2-NH2 2.72Å; D422-R490 PolarHBondContact OD2-NH2 2.83Å; S486-R490 WeakPolarHBondContact O-CB 3.44Å; S486-R490 PolarHBondContact O-N 3.13Å; V487-R490 PolarHBondContact O-N 3.49Å; N488-R490 VanDerWaalsContact C-N 3.31Å; N488-R490 PolarHBondContact O-N 3.13Å; R490-R493 PolarHBondContact O-N 3.01Å; R490-I494 PolarHBondContact O-N 2.99Å
491	C	93.8	Very high	91.6	Very high	12 Å²	12	64.6 Å²	64.6	8%	0.081	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-43.2	179.2	-169.4	0	0	0	0	111.8	F414 A473 V487 N488 R493 I494 C495	F414-C491 HydrophobicContact CZ-CB 4.44Å; A473-C491 HydrophobicContact CB-CB 4.26Å; V487-C491 WeakPolarHBondContact O-CB 3.23Å; V487-C491 PolarHBondContact O-N 2.94Å; N488-C491 PolarHBondContact O-N 3.32Å; C491-R493 PolarHBondContact O-N 3.46Å; C491-I494 PolarHBondContact O-N 3.03Å; C491-C495 PolarHBondContact O-N 3.26Å
492	Q	93.1	Very high	91.7	Very high	110 Å²	110	64.3 Å²	64.3	51%	0.514	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-45.8	-179.8	-172.8	62.4	39.9	0	0	112.1	N488 I494 C495 D496	N488-Q492 PolarHBondContact O-N 3.41Å; Q492-I494 PolarHBondContact O-N 3.47Å; Q492-C495 PolarHBondContact O-N 3.12Å; Q492-C495 VanDerWaalsContact O-N 3.16Å; Q492-D496 PolarHBondContact NE2-OD1 3.47Å; Q492-D496 PolarHBondContact O-N 3.44Å
493	R	93.3	Very high	91.9	Very high	113 Å²	113	63.4 Å²	63.4	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-57.2	-36.5	178.1	-76.9	-171.8	-74.3	-99.1	-3.1	113.5	D489 R490 C491 Q497	D489-R493 PolarHBondContact O-N 2.94Å; D489-R493 IonicContact OD1-CZ 2.85Å; D489-R493 IonicContact OD1-NH1 2.84Å; D489-R493 PolarHBondContact OD1-NH1 2.97Å; D489-R493 IonicContact OD2-CZ 3.46Å; D489-R493 IonicContact OD2-NH1 2.9Å; D489-R493 PolarHBondContact OD2-NH1 3.38Å; D489-R493 IonicContact OD2-NH2 3.33Å; D489-R493 PolarHBondContact OD2-NH2 3.39Å; R490-R493 PolarHBondContact O-N 3.01Å; C491-R493 PolarHBondContact O-N 3.46Å; R493-Q497 PolarHBondContact O-N 3.3Å
494	I	92.6	Very high	91.9	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-44.5	179.2	-74.6	172.8	0	0	0	110.5	C418 V466 I469 R490 C491 Q492 Q497 W498	C418-I494 HydrophobicContact CB-CD1 3.98Å; V466-I494 HydrophobicContact CG1-CG2 4.37Å; I469-I494 HydrophobicContact CG2-CD1 4.41Å; R490-I494 PolarHBondContact O-N 2.99Å; C491-I494 PolarHBondContact O-N 3.03Å; Q492-I494 PolarHBondContact O-N 3.47Å; I494-Q497 PolarHBondContact O-N 2.89Å; I494-W498 PolarHBondContact O-N 3.46Å
495	C	92.5	Very high	91.9	Very high	34 Å²	34	59.9 Å²	59.9	23%	0.23	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-46.2	176.8	-65	0	0	0	0	111.8	C491 Q492 Q497 W498 D499	C491-C495 PolarHBondContact O-N 3.26Å; Q492-C495 PolarHBondContact O-N 3.12Å; Q492-C495 VanDerWaalsContact O-N 3.16Å; C495-Q497 VanDerWaalsContact C-N 3.29Å; C495-Q497 PolarHBondContact O-N 2.83Å; C495-W498 WeakPolarHBondContact O-CB 3.34Å; C495-W498 PolarHBondContact O-N 3.05Å; C495-W498 VanDerWaalsContact O-N 3.17Å; C495-D499 PolarHBondContact O-N 3.36Å
496	D	92.5	Very high	91.6	Very high	81 Å²	81	61 Å²	61	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-34	-178.8	-61.9	-16	0	0	0	112.6	Q492	Q492-D496 PolarHBondContact NE2-OD1 3.47Å; Q492-D496 PolarHBondContact O-N 3.44Å
497	Q	92.5	Very high	91.3	Very high	56 Å²	56	65.7 Å²	65.7	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-72.2	-38.3	175.9	-172.4	-179.8	22.7	0	0	111.8	R493 I494 C495 R500 I501	R493-Q497 PolarHBondContact O-N 3.3Å; I494-Q497 PolarHBondContact O-N 2.89Å; C495-Q497 VanDerWaalsContact C-N 3.29Å; C495-Q497 PolarHBondContact O-N 2.83Å; Q497-R500 WeakPolarHBondContact O-CB 3.42Å; Q497-R500 PolarHBondContact O-N 2.9Å; Q497-I501 HydrophobicContact CG-CD1 4.48Å; Q497-I501 PolarHBondContact O-N 3.24Å
498	W	92.1	Very high	90.9	Very high	14 Å²	14	66.1 Å²	66.1	5%	0.053	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-47.6	-179.3	-177.7	-103.2	0	0	0	112.7	H421 W424 M459 N462 Q463 V466 I494 C495 R500 I501 G502	H421-W498 AromaticContact NE2-CE3 3.7Å; W424-W498 HydrophobicContact CE3-CZ3 4.2Å; W424-W498 HydrophobicContact CH2-CH2 4.07Å; W424-W498 AromaticContact CH2-CZ3 3.65Å; W424-W498 HydrophobicContact CH2-CZ3 3.65Å; W424-W498 HydrophobicContact CZ3-CE3 4.07Å; W424-W498 HydrophobicContact CZ3-CH2 4.22Å; W424-W498 AromaticContact CZ3-CZ3 3.34Å; W424-W498 HydrophobicContact CZ3-CZ3 3.34Å; M459-W498 HydrophobicContact CB-CH2 4.31Å; M459-W498 HydrophobicContact CE-CD2 4.18Å; M459-W498 HydrophobicContact CE-CH2 4.16Å; M459-W498 HydrophobicContact CE-CZ2 3.7Å; M459-W498 HydrophobicContact CG-CH2 3.44Å; M459-W498 VanDerWaalsContact CG-CH2 3.44Å; M459-W498 HydrophobicContact CG-CZ2 3.58Å; M459-W498 HydrophobicContact CG-CZ3 4.26Å; M459-W498 WeakPolarHBondContact O-CH2 3.49Å; M459-W498 WeakPolarHBondContact O-CZ2 3.34Å; N462-W498 HydrophobicContact CB-CH2 3.67Å; N462-W498 HydrophobicContact CB-CZ3 4Å; Q463-W498 HydrophobicContact CB-CZ2 4.18Å; V466-W498 HydrophobicContact CG2-CD2 3.84Å; V466-W498 HydrophobicContact CG2-CE3 3.72Å; V466-W498 HydrophobicContact CG2-CG 4.25Å; V466-W498 HydrophobicContact CG2-CZ3 4.11Å; I494-W498 PolarHBondContact O-N 3.46Å; C495-W498 WeakPolarHBondContact O-CB 3.34Å; C495-W498 PolarHBondContact O-N 3.05Å; C495-W498 VanDerWaalsContact O-N 3.17Å; W498-R500 PolarHBondContact O-N 3.36Å; W498-I501 PolarHBondContact O-N 3.41Å; W498-G502 PolarHBondContact O-N 2.89Å
499	D	90.1	Very high	90.6	Very high	108 Å²	108	62.8 Å²	62.8	58%	0.578	30%	0.301	S	S	*	.	H	α-helix	trans	-58.1	-33.8	179	-70.1	-18.9	0	0	0	111.9	C495	C495-D499 PolarHBondContact O-N 3.36Å
500	R	90.7	Very high	90	Very high	140 Å²	140	63.9 Å²	63.9	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-43.3	179	-167.6	-179.8	-57.9	-164.8	2.3	113	Q497 W498 G502 M503 L504	Q497-R500 WeakPolarHBondContact O-CB 3.42Å; Q497-R500 PolarHBondContact O-N 2.9Å; W498-R500 PolarHBondContact O-N 3.36Å; R500-G502 VanDerWaalsContact C-N 3.29Å; R500-G502 PolarHBondContact O-N 3.45Å; R500-M503 PolarHBondContact O-N 2.78Å; R500-L504 PolarHBondContact O-N 3.38Å
501	I	90.6	Very high	89.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-39.1	179.1	-69.7	174.5	0	0	0	110.6	W424 T425 E429 L432 F455 M459 Q497 W498 M503 L504 S505	W424-I501 HydrophobicContact CZ3-CD1 4.29Å; T425-I501 HydrophobicContact CG2-CD1 3.74Å; E429-I501 HydrophobicContact CG-CG1 3.9Å; L432-I501 HydrophobicContact CD1-CG2 3.87Å; F455-I501 HydrophobicContact CE1-CG2 4.29Å; F455-I501 HydrophobicContact CZ-CG2 3.81Å; M459-I501 HydrophobicContact CE-CB 4.38Å; M459-I501 HydrophobicContact CE-CG2 4.1Å; M459-I501 HydrophobicContact SD-CG2 4.05Å; Q497-I501 HydrophobicContact CG-CD1 4.48Å; Q497-I501 PolarHBondContact O-N 3.24Å; W498-I501 PolarHBondContact O-N 3.41Å; I501-M503 PolarHBondContact O-N 2.94Å; I501-L504 PolarHBondContact O-N 3.2Å; I501-S505 PolarHBondContact O-N 3.32Å; I501-S505 VanDerWaalsContact O-N 3.11Å
502	G	89.8	Confident	88.5	Confident	21 Å²	21	62.6 Å²	62.6	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-46.5	178.5	0	0	0	0	0	113.3	M459 W498 R500 L504 S505 T506	M459-G502 VanDerWaalsContact CE-N 3.34Å; W498-G502 PolarHBondContact O-N 2.89Å; R500-G502 VanDerWaalsContact C-N 3.29Å; R500-G502 PolarHBondContact O-N 3.45Å; G502-L504 VanDerWaalsContact C-N 3.32Å; G502-L504 PolarHBondContact O-N 2.87Å; G502-S505 PolarHBondContact O-N 3.26Å; G502-T506 PolarHBondContact O-N 2.87Å; G502-T506 PolarHBondContact O-OG1 3.32Å
503	M	89.1	Confident	87.8	Confident	138 Å²	138	61.9 Å²	61.9	68%	0.68	30%	0.297	S	S	*	.	H	α-helix	trans	-60.6	-39.4	178	-68.5	-173.4	-74.8	0	0	112.8	R500 I501	R500-M503 PolarHBondContact O-N 2.78Å; I501-M503 PolarHBondContact O-N 2.94Å
504	L	89.6	Confident	86.7	Confident	33 Å²	33	62.7 Å²	62.7	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-70.6	-34.1	179.7	-72.4	173.3	0	0	0	112.6	E429 L432 R500 I501 G502	E429-L504 HydrophobicContact CB-CD1 4.25Å; E429-L504 HydrophobicContact CG-CD1 4.33Å; L432-L504 HydrophobicContact CB-CB 3.88Å; L432-L504 HydrophobicContact CD1-CB 3.76Å; L432-L504 HydrophobicContact CG-CB 4.46Å; R500-L504 PolarHBondContact O-N 3.38Å; I501-L504 PolarHBondContact O-N 3.2Å; G502-L504 VanDerWaalsContact C-N 3.32Å; G502-L504 PolarHBondContact O-N 2.87Å
505	S	88.7	Confident	85.8	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-52.2	-179	-169.5	0	0	0	0	112.2	H452 E456 I501 G502 R507 R508 S509	H452-S505 PolarHBondContact CE1-O 2.76Å; H452-S505 PolarHBondContact CE1-OG 3.28Å; H452-S505 VanDerWaalsContact CE1-OG 3.27Å; H452-S505 PolarHBondContact NE2-O 2.93Å; H452-S505 PolarHBondContact NE2-OG 3.27Å; E456-S505 WeakPolarHBondContact CG-OG 3.31Å; E456-S505 PolarHBondContact OE1-OG 2.86Å; E456-S505 VanDerWaalsContact OE1-OG 3.06Å; I501-S505 PolarHBondContact O-N 3.32Å; I501-S505 VanDerWaalsContact O-N 3.11Å; G502-S505 PolarHBondContact O-N 3.26Å; S505-R507 PolarHBondContact O-N 2.91Å; S505-R508 PolarHBondContact O-N 3.49Å; S505-S509 PolarHBondContact O-N 2.77Å
506	T	87.2	Confident	84.7	Confident	101 Å²	101	62.8 Å²	62.8	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-54.2	-36.2	-176.4	-52	0	0	0	0	112.3	G502	G502-T506 PolarHBondContact O-N 2.87Å; G502-T506 PolarHBondContact O-OG1 3.32Å
507	R	84.9	Confident	83.9	Confident	158 Å²	158	62.9 Å²	62.9	60%	0.596	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-41	179.1	-172.1	173.7	67.4	-175.3	0.9	113.3	S505	S505-R507 PolarHBondContact O-N 2.91Å
508	R	86.1	Confident	82.6	Confident	19 Å²	19	67.3 Å²	67.3	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-75	-32.4	-176.7	175.6	176.3	168.5	92.1	-2	112.9	S434 D436 H452 S505 Q510 N511 L512	S434-R508 PolarHBondContact O-NH1 3.46Å; D436-R508 VanDerWaalsContact CG-NH2 3.31Å; D436-R508 IonicContact OD1-CZ 3.4Å; D436-R508 VanDerWaalsContact OD1-CZ 3.27Å; D436-R508 IonicContact OD1-NH1 2.66Å; D436-R508 PolarHBondContact OD1-NH1 3.33Å; D436-R508 IonicContact OD1-NH2 3.67Å; D436-R508 PolarHBondContact OD1-NH2 3.04Å; D436-R508 IonicContact OD2-CZ 3.62Å; D436-R508 IonicContact OD2-NH1 3.21Å; D436-R508 IonicContact OD2-NH2 3.52Å; D436-R508 PolarHBondContact OD2-NH2 3.28Å; H452-R508 WeakPolarHBondContact ND1-CD 3.45Å; H452-R508 WeakPolarHBondContact ND1-CG 3.48Å; S505-R508 PolarHBondContact O-N 3.49Å; R508-Q510 VanDerWaalsContact C-N 3.28Å; R508-Q510 PolarHBondContact O-N 3.14Å; R508-N511 PolarHBondContact O-N 2.88Å; R508-L512 HydrophobicContact CG-CD1 3.97Å
509	S	84.8	Confident	81.5	Confident	11 Å²	11	67 Å²	67	8%	0.077	34%	0.342	C	S	.	.	H	α-helix	trans	-53.9	-42.9	177	-165.1	0	0	0	0	112.7	H452 E456 S505 N511 L512	H452-S509 WeakPolarHBondContact CD2-CA 3.42Å; H452-S509 WeakPolarHBondContact CD2-CB 3.35Å; H452-S509 PolarHBondContact CD2-N 2.88Å; H452-S509 WeakPolarHBondContact NE2-CB 3.25Å; H452-S509 PolarHBondContact NE2-N 3.4Å; E456-S509 PolarHBondContact OE2-OG 2.97Å; S505-S509 PolarHBondContact O-N 2.77Å; S509-N511 PolarHBondContact O-N 2.92Å; S509-L512 PolarHBondContact O-N 3.26Å
510	Q	81.4	Confident	80.7	Confident	109 Å²	109	65.3 Å²	65.3	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-41.8	-177.1	-173.7	57.3	41.9	0	0	112.5	R508 L512	R508-Q510 VanDerWaalsContact C-N 3.28Å; R508-Q510 PolarHBondContact O-N 3.14Å; Q510-L512 VanDerWaalsContact C-N 3.28Å; Q510-L512 PolarHBondContact O-N 3.29Å
511	N	78.8	Confident	79.6	Confident	65 Å²	65	67.1 Å²	67.1	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-70.9	-23	-176.8	-70.5	-13.6	0	0	0	113.6	Y437 R508 S509	Y437-N511 HydrophobicContact CE1-CB 4.15Å; Y437-N511 HydrophobicContact CE2-CB 4.26Å; R508-N511 PolarHBondContact O-N 2.88Å; S509-N511 PolarHBondContact O-N 2.92Å
512	L	77.3	Confident	78.6	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-81.6	-30.3	-176.5	-73.5	166.7	0	0	0	113.7	Y437 L448 R449 H452 R508 S509 Q510 D514	Y437-L512 VanDerWaalsContact CB-CD2 3.44Å; Y437-L512 HydrophobicContact CG-CD2 4.16Å; L448-L512 HydrophobicContact CB-CD1 4.42Å; L448-L512 HydrophobicContact CB-CD2 3.37Å; L448-L512 HydrophobicContact CB-CG 4.49Å; L448-L512 HydrophobicContact CD1-CD2 4.31Å; L448-L512 HydrophobicContact CG-CD2 4.39Å; L448-L512 WeakPolarHBondContact O-CD1 2.99Å; R449-L512 HydrophobicContact CB-CB 3.8Å; R449-L512 HydrophobicContact CG-CB 4.06Å; H452-L512 HydrophobicContact CB-CD1 3.39Å; R508-L512 HydrophobicContact CG-CD1 3.97Å; S509-L512 PolarHBondContact O-N 3.26Å; Q510-L512 VanDerWaalsContact C-N 3.28Å; Q510-L512 PolarHBondContact O-N 3.29Å; L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.39Å
513	K	79.2	Confident	77.5	Confident	94 Å²	94	68 Å²	68	41%	0.409	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.8	-76.5	172.3	-177.7	174.5	0	112.6	R449 A515	R449-K513 HydrophobicContact CG-CG 4.24Å; K513-A515 VanDerWaalsContact C-N 3.35Å; K513-A515 PolarHBondContact O-N 3.49Å
514	D	70.8	Confident	77	Confident	130 Å²	130	66.4 Å²	66.4	70%	0.695	33%	0.328	S	S	*	.	H	α-helix	trans	-68.5	-28.8	-173.4	-67.6	-14.4	0	0	0	113.5	L512	L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.39Å
515	A	73.6	Confident	76	Confident	27 Å²	27	67.6 Å²	67.6	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-88.7	-24.8	-176	0	0	0	0	0	113.9	L445 K513	L445-A515 HydrophobicContact CD1-CB 3.78Å; L445-A515 WeakPolarHBondContact CD1-O 3.5Å; L445-A515 HydrophobicContact CD2-CB 3.39Å; L445-A515 HydrophobicContact CG-CB 4.09Å; K513-A515 VanDerWaalsContact C-N 3.35Å; K513-A515 PolarHBondContact O-N 3.49Å
516	E	68.6	Low	75.4	Confident	12 Å²	12	67.6 Å²	67.6	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-40.6	-177.3	154.5	168.1	175.4	0	0	114.6	L442 L445 K446 R449 L518 M519	L442-E516 HydrophobicContact CD1-CG 4.17Å; L442-E516 WeakPolarHBondContact CD1-O 3.46Å; L445-E516 HydrophobicContact CB-CB 4.34Å; K446-E516 WeakPolarHBondContact CA-OE2 3.37Å; K446-E516 HydrophobicContact CD-CG 4.45Å; K446-E516 WeakPolarHBondContact CE-OE1 3.49Å; K446-E516 HydrophobicContact CG-CB 4.39Å; K446-E516 HydrophobicContact CG-CG 3.51Å; K446-E516 VanDerWaalsContact CG-OE1 3.24Å; K446-E516 WeakPolarHBondContact CG-OE1 3.33Å; R449-E516 WeakPolarHBondContact CB-OE2 3.08Å; R449-E516 VanDerWaalsContact CD-OE2 3.32Å; R449-E516 WeakPolarHBondContact CD-OE2 3.43Å; R449-E516 IonicContact CZ-OE1 2.76Å; R449-E516 IonicContact CZ-OE2 3.47Å; R449-E516 IonicContact NE-OE1 2.68Å; R449-E516 IonicContact NE-OE2 3.54Å; R449-E516 PolarHBondContact NE-OE2 2.9Å; R449-E516 VanDerWaalsContact NH2-CD 3.32Å; R449-E516 IonicContact NH2-OE1 3.49Å; R449-E516 PolarHBondContact NH2-OE1 3.27Å; R449-E516 IonicContact NH2-OE2 2.66Å; R449-E516 PolarHBondContact NH2-OE2 2.66Å; E516-L518 VanDerWaalsContact C-N 3.28Å; E516-L518 PolarHBondContact O-N 3.23Å; E516-L518 VanDerWaalsContact O-N 3.08Å; E516-M519 PolarHBondContact O-N 2.97Å
517	S	75.7	Confident	74.7	Confident	83 Å²	83	65.7 Å²	65.7	58%	0.58	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-57.8	-34.4	-169	-177.8	0	0	0	0	115.1	M519	S517-M519 PolarHBondContact O-N 3.42Å; S517-M519 VanDerWaalsContact O-N 3.14Å
518	L	65.6	Low	74.2	Confident	148 Å²	148	62.9 Å²	62.9	78%	0.775	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-59.1	-30.8	-177.4	173.4	62.5	0	0	0	113.7	E516	E516-L518 VanDerWaalsContact C-N 3.28Å; E516-L518 PolarHBondContact O-N 3.23Å; E516-L518 VanDerWaalsContact O-N 3.08Å
519	M	69.8	Low	73.7	Confident	7 Å²	7	62.3 Å²	62.3	3%	0.034	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-104.7	-13.4	-150.5	-128.7	-47.4	169.5	0	0	106.8	Y441 L442 E516 S517 R521 I522 L599	Y441-M519 HydrophobicContact CD1-CE 3.88Å; L442-M519 VanDerWaalsContact CA-SD 3.58Å; L442-M519 HydrophobicContact CB-CB 3.11Å; L442-M519 HydrophobicContact CB-CG 3.53Å; L442-M519 WeakPolarHBondContact CB-O 3.37Å; L442-M519 HydrophobicContact CB-SD 3.55Å; L442-M519 VanDerWaalsContact CB-SD 3.55Å; L442-M519 HydrophobicContact CD1-CB 3.29Å; L442-M519 WeakPolarHBondContact CD2-O 3.3Å; L442-M519 HydrophobicContact CG-CB 3.63Å; L442-M519 PolarHBondContact N-SD 3Å; E516-M519 PolarHBondContact O-N 2.97Å; S517-M519 PolarHBondContact O-N 3.42Å; S517-M519 VanDerWaalsContact O-N 3.14Å; M519-R521 PolarHBondContact O-N 2.7Å; M519-I522 PolarHBondContact O-N 2.75Å; M519-L599 HydrophobicContact CE-CD1 3.39Å; M519-L599 HydrophobicContact CE-CD2 3.37Å; M519-L599 HydrophobicContact CE-CG 3.95Å; M519-L599 HydrophobicContact SD-CD1 4.25Å
520	E	72.4	Confident	73	Confident	73 Å²	73	62.1 Å²	62.1	34%	0.341	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.9	-178.6	-59.8	-158.4	102.9	0	0	115.7	L442 K446 D523	L442-E520 HydrophobicContact CD1-CB 4.44Å; L442-E520 HydrophobicContact CD1-CG 3.73Å; L442-E520 HydrophobicContact CD2-CB 4.35Å; L442-E520 HydrophobicContact CD2-CG 4.33Å; L442-E520 VanDerWaalsContact CD2-N 3.29Å; K446-E520 VanDerWaalsContact CE-CG 3.45Å; K446-E520 WeakPolarHBondContact CE-OE1 3.33Å; K446-E520 VanDerWaalsContact NZ-CG 3.32Å; K446-E520 IonicContact NZ-OE1 2.71Å; K446-E520 PolarHBondContact NZ-OE1 3.03Å; E520-D523 CarbonylContact O-C 3.55Å; E520-D523 VanDerWaalsContact O-C 3.24Å; E520-D523 WeakPolarHBondContact O-CB 3.46Å
521	R	66.6	Low	72.9	Confident	179 Å²	179	63.6 Å²	63.6	68%	0.675	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-38.3	-175.3	-176.9	55.7	176	174.2	-0.9	113.4	M519 D523 Q524	M519-R521 PolarHBondContact O-N 2.7Å; R521-D523 PolarHBondContact O-N 3.45Å; R521-Q524 PolarHBondContact O-N 2.87Å
522	I	70.2	Confident	72.9	Confident	19 Å²	19	65.8 Å²	65.8	10%	0.097	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-31.5	173.1	-65.1	172.2	0	0	0	109.1	M519 Q524 H526 L593 V594 L599 V603	M519-I522 PolarHBondContact O-N 2.75Å; I522-Q524 PolarHBondContact O-N 3.16Å; I522-H526 PolarHBondContact O-CD2 3.04Å; I522-L593 HydrophobicContact CG1-CB 4.38Å; I522-V594 HydrophobicContact CG2-CG2 4.5Å; I522-L599 HydrophobicContact CD1-CD1 4.19Å; I522-V603 HydrophobicContact CD1-CG1 4.22Å; I522-V603 HydrophobicContact CG2-CG1 3.88Å
523	D	67.5	Low	73	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.107	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	48.7	168.2	-172.2	94.5	0	0	0	113.4	L442 K446 E520 R521 Y608	L442-D523 HydrophobicContact CD2-CB 2.91Å; L442-D523 VanDerWaalsContact CD2-OD1 3.3Å; L442-D523 WeakPolarHBondContact CD2-OD1 3.15Å; L442-D523 WeakPolarHBondContact CD2-OD2 3.22Å; L442-D523 HydrophobicContact CG-CB 4.32Å; K446-D523 IonicContact NZ-OD2 2.78Å; K446-D523 PolarHBondContact NZ-OD2 3.18Å; E520-D523 CarbonylContact O-C 3.55Å; E520-D523 VanDerWaalsContact O-C 3.24Å; E520-D523 WeakPolarHBondContact O-CB 3.46Å; R521-D523 PolarHBondContact O-N 3.45Å; D523-Y608 VanDerWaalsContact C-CZ 3.43Å; D523-Y608 WeakPolarHBondContact CA-OH 3.14Å; D523-Y608 HydrophobicContact CB-CE1 4.28Å; D523-Y608 HydrophobicContact CB-CE2 3.78Å; D523-Y608 VanDerWaalsContact CG-CE2 3.43Å; D523-Y608 VanDerWaalsContact O-CZ 3.31Å; D523-Y608 PolarHBondContact O-OH 3.47Å; D523-Y608 WeakPolarHBondContact OD1-CE1 3.33Å; D523-Y608 WeakPolarHBondContact OD1-CE2 3.29Å; D523-Y608 WeakPolarHBondContact OD2-CE1 3.47Å
524	Q	77.9	Confident	72.7	Confident	104 Å²	104	63.4 Å²	63.4	49%	0.486	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-34	159.3	-79.7	173.4	-14.3	0	0	112.8	R521 I522 L527 Y608	R521-Q524 PolarHBondContact O-N 2.87Å; I522-Q524 PolarHBondContact O-N 3.16Å; Q524-L527 VanDerWaalsContact O-CB 3.25Å; Q524-L527 WeakPolarHBondContact O-CB 3.34Å; Q524-L527 PolarHBondContact O-N 2.84Å; Q524-Y608 PolarHBondContact N-OH 3.05Å; Q524-Y608 VanDerWaalsContact N-OH 3.17Å
525	L	69.3	Low	73.2	Confident	58 Å²	58	61 Å²	61	30%	0.304	31%	0.308	S	S	.	.	H	α-helix	trans	-71.7	-39.8	176.2	-67.9	171.5	0	0	0	111.6	L527 E528 I590 L593	L525-L527 PolarHBondContact O-N 3.03Å; L525-E528 PolarHBondContact O-N 3.38Å; L525-I590 HydrophobicContact CB-CG1 4.07Å; L525-L593 HydrophobicContact CD1-CD1 3.58Å
526	H	74.7	Confident	73.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-29.8	170.8	-77.3	-70	0	0	0	114.2	I522 A530 I590 V603 I605 N606 P607 Y608	I522-H526 PolarHBondContact O-CD2 3.04Å; H526-A530 PolarHBondContact O-N 3.45Å; H526-I590 HydrophobicContact CB-CD1 4.25Å; H526-I590 HydrophobicContact CB-CG1 4.44Å; H526-I590 WeakPolarHBondContact CE1-CG2 3.34Å; H526-I590 WeakPolarHBondContact ND1-CD1 3.26Å; H526-I590 WeakPolarHBondContact ND1-CG1 3.46Å; H526-I590 WeakPolarHBondContact ND1-CG2 3.42Å; H526-I590 WeakPolarHBondContact NE2-CG2 3.19Å; H526-V603 PolarHBondContact NE2-O 3.44Å; H526-I605 PolarHBondContact CE1-O 3.17Å; H526-I605 VanDerWaalsContact CE1-O 3.29Å; H526-N606 WeakPolarHBondContact CA-ND2 3.35Å; H526-N606 WeakPolarHBondContact CB-OD1 3.49Å; H526-N606 WeakPolarHBondContact CE1-CA 3.28Å; H526-N606 WeakPolarHBondContact ND1-CA 3.14Å; H526-N606 WeakPolarHBondContact ND1-CB 3.42Å; H526-N606 PolarHBondContact ND1-ND2 3.29Å; H526-N606 PolarHBondContact ND1-OD1 3.41Å; H526-N606 PolarHBondContact O-ND2 2.95Å; H526-N606 PolarHBondContact O-OD1 3.03Å; H526-P607 VanDerWaalsContact CD2-CD 3.49Å; H526-P607 WeakPolarHBondContact CD2-CD 3.47Å; H526-P607 VanDerWaalsContact CE1-CD 3.43Å; H526-P607 WeakPolarHBondContact CE1-CD 3.49Å; H526-P607 VanDerWaalsContact CG-CD 3.41Å; H526-P607 WeakPolarHBondContact ND1-CD 3.43Å; H526-Y608 HydrophobicContact CB-CD2 3.22Å; H526-Y608 HydrophobicContact CB-CE2 3.21Å; H526-Y608 HydrophobicContact CB-CG 4.28Å
527	L	72.8	Confident	74.3	Confident	62 Å²	62	60 Å²	60	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-68.3	-32.5	177.8	-175.7	65.7	0	0	0	112.3	Q524 L525 A530 K531 Y608	Q524-L527 VanDerWaalsContact O-CB 3.25Å; Q524-L527 WeakPolarHBondContact O-CB 3.34Å; Q524-L527 PolarHBondContact O-N 2.84Å; L525-L527 PolarHBondContact O-N 3.03Å; L527-A530 PolarHBondContact O-N 3.38Å; L527-K531 HydrophobicContact CG-CD 4.31Å; L527-K531 HydrophobicContact CG-CG 4.45Å; L527-K531 WeakPolarHBondContact O-CB 3.47Å; L527-K531 VanDerWaalsContact O-CG 3.24Å; L527-K531 WeakPolarHBondContact O-CG 3.45Å; L527-K531 PolarHBondContact O-N 3.25Å; L527-Y608 HydrophobicContact CB-CD1 4.2Å; L527-Y608 HydrophobicContact CB-CE1 3.99Å; L527-Y608 WeakPolarHBondContact CB-OH 3.18Å; L527-Y608 HydrophobicContact CD1-CD1 3.72Å; L527-Y608 HydrophobicContact CD1-CE1 3.96Å; L527-Y608 HydrophobicContact CG-CE1 4.5Å; L527-Y608 PolarHBondContact N-OH 3.07Å
528	E	74.5	Confident	74.6	Confident	99 Å²	99	61 Å²	61	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-72.7	-41.8	-177.5	-170.7	170.8	173.6	0	0	112.4	L525 A530 K531 L586	L525-E528 PolarHBondContact O-N 3.38Å; E528-A530 VanDerWaalsContact C-N 3.29Å; E528-A530 PolarHBondContact O-N 3.46Å; E528-K531 PolarHBondContact O-N 2.89Å; E528-L586 HydrophobicContact CG-CD1 4.19Å; E528-L586 HydrophobicContact CG-CD2 4.24Å
529	L	76.4	Confident	75.6	Confident	7 Å²	7	58 Å²	58	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-46	170.7	177.4	63.3	0	0	0	110.9	K531 R532 A533 I583 L586 E587 I590 N606 A609	L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 3.36Å; L529-R532 PolarHBondContact O-N 3.33Å; L529-A533 WeakPolarHBondContact O-CB 3.38Å; L529-A533 PolarHBondContact O-N 3.28Å; L529-A533 VanDerWaalsContact O-N 3.13Å; L529-I583 HydrophobicContact CD1-CG2 4.16Å; L529-I583 WeakPolarHBondContact CD1-O 3.32Å; L529-L586 HydrophobicContact CB-CB 3.8Å; L529-L586 HydrophobicContact CD1-CB 3.53Å; L529-L586 HydrophobicContact CG-CB 4.2Å; L529-E587 HydrophobicContact CD2-CB 3.88Å; L529-E587 HydrophobicContact CD2-CG 4.03Å; L529-I590 HydrophobicContact CD2-CD1 4.4Å; L529-N606 HydrophobicContact CD2-CB 4.48Å; L529-N606 WeakPolarHBondContact CD2-ND2 3.48Å; L529-A609 HydrophobicContact CD2-CB 4.35Å; L529-A609 HydrophobicContact CG-CB 4.39Å
530	A	69.1	Low	76.4	Confident	7 Å²	7	57.9 Å²	57.9	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-38.8	177	0	0	0	0	0	112.8	H526 L527 E528 R532 A533 A534 Y608 A609	H526-A530 PolarHBondContact O-N 3.45Å; L527-A530 PolarHBondContact O-N 3.38Å; E528-A530 VanDerWaalsContact C-N 3.29Å; E528-A530 PolarHBondContact O-N 3.46Å; A530-R532 VanDerWaalsContact C-N 3.25Å; A530-R532 PolarHBondContact O-N 3.41Å; A530-A533 PolarHBondContact O-N 3.13Å; A530-A534 WeakPolarHBondContact O-CB 3.49Å; A530-A534 PolarHBondContact O-N 3.49Å; A530-Y608 WeakPolarHBondContact CB-O 3.48Å; A530-A609 HydrophobicContact CB-CB 4.33Å
531	K	80.5	Confident	76.8	Confident	139 Å²	139	56.9 Å²	56.9	60%	0.604	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-27.8	-178.1	-86.7	174.5	175.7	-179.4	0	114.1	L527 E528 L529 P535	L527-K531 HydrophobicContact CG-CD 4.31Å; L527-K531 HydrophobicContact CG-CG 4.45Å; L527-K531 WeakPolarHBondContact O-CB 3.47Å; L527-K531 VanDerWaalsContact O-CG 3.24Å; L527-K531 WeakPolarHBondContact O-CG 3.45Å; L527-K531 PolarHBondContact O-N 3.25Å; E528-K531 PolarHBondContact O-N 2.89Å; L529-K531 VanDerWaalsContact C-N 3.32Å; L529-K531 PolarHBondContact O-N 3.36Å; K531-P535 WeakPolarHBondContact O-CD 3.27Å; K531-P535 WeakPolarHBondContact O-CG 3.43Å
532	R	78.6	Confident	77.7	Confident	112 Å²	112	49.5 Å²	49.5	42%	0.423	25%	0.252	S	S	.	.	H	α-helix	trans	-93.4	-37.8	174.9	-64.2	-174	-179.9	-130.9	5.2	112.1	L529 A530 I583	L529-R532 PolarHBondContact O-N 3.33Å; A530-R532 VanDerWaalsContact C-N 3.25Å; A530-R532 PolarHBondContact O-N 3.41Å; R532-I583 HydrophobicContact CB-CG1 3.94Å
533	A	78.8	Confident	78.5	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-39.4	179.9	0	0	0	0	0	113.1	L529 A530 S537 I583	L529-A533 WeakPolarHBondContact O-CB 3.38Å; L529-A533 PolarHBondContact O-N 3.28Å; L529-A533 VanDerWaalsContact O-N 3.13Å; A530-A533 PolarHBondContact O-N 3.13Å; A533-S537 WeakPolarHBondContact O-CB 3.43Å; A533-S537 PolarHBondContact O-N 2.97Å; A533-I583 HydrophobicContact CB-CD1 4.36Å; A533-I583 HydrophobicContact CB-CG1 4.28Å; A533-I583 HydrophobicContact CB-CG2 3.64Å
534	A	74	Confident	79.4	Confident	41 Å²	41	48.4 Å²	48.4	34%	0.339	25%	0.249	S	C	.	.	H	α-helix	trans	-69.5	-48.9	-174.5	0	0	0	0	0	113.3	A530 F536 S537 N538	A530-A534 WeakPolarHBondContact O-CB 3.49Å; A530-A534 PolarHBondContact O-N 3.49Å; A534-F536 VanDerWaalsContact C-N 3.28Å; A534-F536 PolarHBondContact O-N 2.66Å; A534-S537 PolarHBondContact O-N 3.09Å; A534-N538 WeakPolarHBondContact O-CB 3.41Å; A534-N538 PolarHBondContact O-N 3.29Å; A534-N538 PolarHBondContact O-OD1 3.01Å
535	P	80.5	Confident	79.7	Confident	80 Å²	80	49.8 Å²	49.8	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-37.3	176.5	-23.4	34.3	0	0	0	112.8	K531 N538 W539	K531-P535 WeakPolarHBondContact O-CD 3.27Å; K531-P535 WeakPolarHBondContact O-CG 3.43Å; P535-N538 PolarHBondContact O-N 3.41Å; P535-W539 WeakPolarHBondContact O-CB 3.35Å; P535-W539 PolarHBondContact O-N 2.69Å
536	F	83.5	Confident	80.5	Confident	14 Å²	14	52.2 Å²	52.2	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-41.7	177.5	-170.8	-109.1	0	0	0	112.3	A534 N538 W539 L540 A576 E579 F580 I583 V616 W620	A534-F536 VanDerWaalsContact C-N 3.28Å; A534-F536 PolarHBondContact O-N 2.66Å; F536-N538 VanDerWaalsContact C-N 3.33Å; F536-W539 HydrophobicContact CE2-CE3 4.43Å; F536-W539 PolarHBondContact O-N 3.22Å; F536-L540 HydrophobicContact CD1-CD1 4.2Å; F536-L540 HydrophobicContact CE1-CD1 3.87Å; F536-L540 HydrophobicContact CZ-CD1 4.42Å; F536-L540 WeakPolarHBondContact O-CG 3.27Å; F536-L540 PolarHBondContact O-N 3.36Å; F536-A576 HydrophobicContact CE2-CB 3.91Å; F536-A576 WeakPolarHBondContact CE2-O 3.39Å; F536-A576 HydrophobicContact CZ-CB 4.43Å; F536-A576 WeakPolarHBondContact CZ-O 3.29Å; F536-E579 HydrophobicContact CB-CG 4.3Å; F536-E579 HydrophobicContact CD2-CB 3.84Å; F536-E579 HydrophobicContact CD2-CG 3.87Å; F536-E579 HydrophobicContact CE2-CB 4.02Å; F536-E579 HydrophobicContact CG-CB 4.48Å; F536-E579 HydrophobicContact CG-CG 4.17Å; F536-F580 HydrophobicContact CD1-CD2 4.43Å; F536-F580 HydrophobicContact CE1-CB 3.65Å; F536-F580 AromaticContact CE1-CD2 3.76Å; F536-F580 HydrophobicContact CE1-CD2 3.76Å; F536-F580 HydrophobicContact CE1-CG 4.16Å; F536-F580 HydrophobicContact CZ-CB 3.84Å; F536-I583 HydrophobicContact CB-CD1 3.93Å; F536-I583 HydrophobicContact CD1-CD1 4.02Å; F536-I583 HydrophobicContact CG-CD1 4.2Å; F536-V616 HydrophobicContact CD1-CG1 3.79Å; F536-V616 HydrophobicContact CE1-CG1 4.15Å; F536-W620 HydrophobicContact CE1-CE3 4.14Å; F536-W620 HydrophobicContact CE2-CZ3 4.38Å; F536-W620 AromaticContact CZ-CE3 3.63Å; F536-W620 HydrophobicContact CZ-CE3 3.63Å; F536-W620 AromaticContact CZ-CZ3 3.72Å; F536-W620 HydrophobicContact CZ-CZ3 3.72Å
537	S	82.6	Confident	81.1	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-40.4	171.3	-179.1	0	0	0	0	111.5	A533 A534 L540 D541 T611 K619	A533-S537 WeakPolarHBondContact O-CB 3.43Å; A533-S537 PolarHBondContact O-N 2.97Å; A534-S537 PolarHBondContact O-N 3.09Å; S537-L540 CarbonylContact O-C 3.58Å; S537-L540 WeakPolarHBondContact O-CB 3.45Å; S537-L540 PolarHBondContact O-N 2.76Å; S537-D541 VanDerWaalsContact O-CG 3.26Å; S537-D541 PolarHBondContact O-N 3.12Å; S537-D541 VanDerWaalsContact O-OD2 3.13Å; S537-D541 PolarHBondContact OG-OD2 2.99Å; S537-T611 WeakPolarHBondContact OG-CG2 3.36Å; S537-K619 PolarHBondContact OG-NZ 3.37Å
538	N	80.8	Confident	81.7	Confident	104 Å²	104	54.6 Å²	54.6	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-69	-36.9	178.8	-72.1	-3.1	0	0	0	111.6	A534 P535 F536 L540 D541 G542	A534-N538 WeakPolarHBondContact O-CB 3.41Å; A534-N538 PolarHBondContact O-N 3.29Å; A534-N538 PolarHBondContact O-OD1 3.01Å; P535-N538 PolarHBondContact O-N 3.41Å; F536-N538 VanDerWaalsContact C-N 3.33Å; N538-L540 PolarHBondContact O-N 3.19Å; N538-D541 PolarHBondContact O-N 3.21Å; N538-G542 PolarHBondContact O-N 3.35Å
539	W	87.4	Confident	82.3	Confident	86 Å²	86	54.5 Å²	54.5	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-37.9	171.9	179	83.4	0	0	0	110.7	P535 F536 A543 L573 A576 W620 M623	P535-W539 WeakPolarHBondContact O-CB 3.35Å; P535-W539 PolarHBondContact O-N 2.69Å; F536-W539 HydrophobicContact CE2-CE3 4.43Å; F536-W539 PolarHBondContact O-N 3.22Å; W539-A543 WeakPolarHBondContact O-CB 3.34Å; W539-A543 PolarHBondContact O-N 2.96Å; W539-L573 HydrophobicContact CH2-CD2 4.08Å; W539-A576 HydrophobicContact CE3-CB 3.92Å; W539-A576 HydrophobicContact CH2-CB 3.27Å; W539-A576 HydrophobicContact CZ2-CB 3.95Å; W539-A576 HydrophobicContact CZ3-CB 3.27Å; W539-W620 AromaticContact CZ3-CZ3 3.83Å; W539-W620 HydrophobicContact CZ3-CZ3 3.83Å; W539-M623 HydrophobicContact CH2-CE 4.31Å; W539-M623 HydrophobicContact CZ3-CE 4.05Å
540	L	86.5	Confident	82.5	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-40.2	173.5	-74.5	169.9	0	0	0	113.7	F536 S537 N538 A544 K619 W620 M623	F536-L540 HydrophobicContact CD1-CD1 4.2Å; F536-L540 HydrophobicContact CE1-CD1 3.87Å; F536-L540 HydrophobicContact CZ-CD1 4.42Å; F536-L540 WeakPolarHBondContact O-CG 3.27Å; F536-L540 PolarHBondContact O-N 3.36Å; S537-L540 CarbonylContact O-C 3.58Å; S537-L540 WeakPolarHBondContact O-CB 3.45Å; S537-L540 PolarHBondContact O-N 2.76Å; N538-L540 PolarHBondContact O-N 3.19Å; L540-A544 WeakPolarHBondContact O-CB 3.49Å; L540-A544 PolarHBondContact O-N 3Å; L540-K619 HydrophobicContact CD1-CB 4.19Å; L540-W620 HydrophobicContact CD1-CB 4.16Å; L540-W620 HydrophobicContact CD1-CE3 4.16Å; L540-W620 HydrophobicContact CD2-CD2 4.47Å; L540-W620 HydrophobicContact CD2-CE3 3.57Å; L540-W620 HydrophobicContact CD2-CZ3 4.03Å; L540-W620 HydrophobicContact CG-CE3 4.3Å; L540-M623 HydrophobicContact CD2-CB 4.01Å; L540-M623 HydrophobicContact CD2-CE 3.5Å; L540-M623 VanDerWaalsContact CD2-CE 3.5Å; L540-M623 HydrophobicContact CD2-CG 4.19Å
541	D	81.7	Confident	83.4	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-44.9	176.8	-66.7	-38.7	0	0	0	110.6	S537 N538 A544 E545 K619	S537-D541 VanDerWaalsContact O-CG 3.26Å; S537-D541 PolarHBondContact O-N 3.12Å; S537-D541 VanDerWaalsContact O-OD2 3.13Å; S537-D541 PolarHBondContact OG-OD2 2.99Å; N538-D541 PolarHBondContact O-N 3.21Å; D541-A544 CarbonylContact O-C 3.08Å; D541-A544 WeakPolarHBondContact O-CA 3.34Å; D541-A544 WeakPolarHBondContact O-CB 3.3Å; D541-A544 PolarHBondContact O-N 3.27Å; D541-A544 VanDerWaalsContact O-N 3.09Å; D541-E545 WeakPolarHBondContact O-CG 3.41Å; D541-E545 PolarHBondContact O-N 3.25Å; D541-K619 WeakPolarHBondContact OD1-CD 3.29Å; D541-K619 VanDerWaalsContact OD1-CE 3.25Å; D541-K619 WeakPolarHBondContact OD1-CE 3.37Å; D541-K619 IonicContact OD1-NZ 3.48Å; D541-K619 PolarHBondContact OD1-NZ 2.98Å; D541-K619 IonicContact OD2-NZ 3.66Å; D541-K619 PolarHBondContact OD2-NZ 3.28Å
542	G	85.3	Confident	83.5	Confident	23 Å²	23	64.4 Å²	64.4	24%	0.237	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.4	0	0	0	0	0	112.3	N538 A544 E545 D546	N538-G542 PolarHBondContact O-N 3.35Å; G542-A544 VanDerWaalsContact C-N 3.27Å; G542-A544 PolarHBondContact O-N 2.97Å; G542-E545 PolarHBondContact O-N 3.44Å; G542-D546 WeakPolarHBondContact O-CB 3.19Å; G542-D546 VanDerWaalsContact O-CG 3.3Å; G542-D546 PolarHBondContact O-N 3.26Å
543	A	86.3	Confident	83.9	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-57.8	-41.4	170.4	0	0	0	0	0	111.9	W539 L547 F569 M623	W539-A543 WeakPolarHBondContact O-CB 3.34Å; W539-A543 PolarHBondContact O-N 2.96Å; A543-L547 WeakPolarHBondContact O-CB 3.5Å; A543-L547 VanDerWaalsContact O-CD1 3.26Å; A543-L547 WeakPolarHBondContact O-CD1 3.46Å; A543-L547 WeakPolarHBondContact O-CG 3.46Å; A543-L547 PolarHBondContact O-N 3.47Å; A543-L547 VanDerWaalsContact O-N 3.16Å; A543-F569 HydrophobicContact CB-CE2 3.89Å; A543-F569 HydrophobicContact CB-CZ 3.6Å; A543-M623 HydrophobicContact CB-CG 4.11Å
544	A	86.5	Confident	84.1	Confident	13 Å²	13	65.6 Å²	65.6	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-68.3	-39.9	176.8	0	0	0	0	0	112.2	L540 D541 G542 Q548 L626	L540-A544 WeakPolarHBondContact O-CB 3.49Å; L540-A544 PolarHBondContact O-N 3Å; D541-A544 CarbonylContact O-C 3.08Å; D541-A544 WeakPolarHBondContact O-CA 3.34Å; D541-A544 WeakPolarHBondContact O-CB 3.3Å; D541-A544 PolarHBondContact O-N 3.27Å; D541-A544 VanDerWaalsContact O-N 3.09Å; G542-A544 VanDerWaalsContact C-N 3.27Å; G542-A544 PolarHBondContact O-N 2.97Å; A544-Q548 WeakPolarHBondContact O-CB 3.48Å; A544-Q548 VanDerWaalsContact O-CG 3.23Å; A544-Q548 WeakPolarHBondContact O-CG 3.49Å; A544-Q548 PolarHBondContact O-N 2.98Å; A544-L626 HydrophobicContact CB-CD1 3.72Å
545	E	84.8	Confident	84.6	Confident	134 Å²	134	65.5 Å²	65.5	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-64.8	-49	176.2	-76	-178.5	179.3	0	0	111.5	D541 G542 L547 Q548 D549	D541-E545 WeakPolarHBondContact O-CG 3.41Å; D541-E545 PolarHBondContact O-N 3.25Å; G542-E545 PolarHBondContact O-N 3.44Å; E545-L547 VanDerWaalsContact C-N 3.26Å; E545-L547 PolarHBondContact O-N 3.07Å; E545-Q548 CarbonylContact O-C 3.49Å; E545-Q548 WeakPolarHBondContact O-CA 3.47Å; E545-Q548 PolarHBondContact O-N 3.19Å; E545-D549 WeakPolarHBondContact O-CA 3.45Å; E545-D549 PolarHBondContact O-N 3Å
546	D	85.1	Confident	84.8	Confident	109 Å²	109	63.6 Å²	63.6	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-59.5	-39.1	178.2	-71.5	-19.5	0	0	0	111.5	G542 Q548 D549 R630	G542-D546 WeakPolarHBondContact O-CB 3.19Å; G542-D546 VanDerWaalsContact O-CG 3.3Å; G542-D546 PolarHBondContact O-N 3.26Å; D546-Q548 VanDerWaalsContact C-N 3.26Å; D546-Q548 PolarHBondContact O-N 3.41Å; D546-D549 PolarHBondContact O-N 3.49Å; D546-R630 PolarHBondContact O-NH2 2.83Å
547	L	87	Confident	85	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-70.2	-22.1	174.9	-70.6	170.4	0	0	0	112.9	A543 E545 H566 F569 L626 V627 R630	A543-L547 WeakPolarHBondContact O-CB 3.5Å; A543-L547 VanDerWaalsContact O-CD1 3.26Å; A543-L547 WeakPolarHBondContact O-CD1 3.46Å; A543-L547 WeakPolarHBondContact O-CG 3.46Å; A543-L547 PolarHBondContact O-N 3.47Å; A543-L547 VanDerWaalsContact O-N 3.16Å; E545-L547 VanDerWaalsContact C-N 3.26Å; E545-L547 PolarHBondContact O-N 3.07Å; L547-H566 WeakPolarHBondContact CD2-CE1 3.49Å; L547-F569 HydrophobicContact CD1-CE1 3.94Å; L547-F569 HydrophobicContact CD1-CZ 4.45Å; L547-F569 HydrophobicContact CD2-CD1 4.2Å; L547-F569 HydrophobicContact CD2-CE1 4.21Å; L547-F569 HydrophobicContact CG-CE1 4.23Å; L547-L626 HydrophobicContact CB-CB 4.32Å; L547-L626 HydrophobicContact CD1-CB 4.05Å; L547-V627 HydrophobicContact CD1-CG2 3.62Å; L547-V627 HydrophobicContact CD2-CG2 4.4Å; L547-R630 HydrophobicContact CB-CB 4.41Å; L547-R630 HydrophobicContact CD2-CB 3.95Å; L547-R630 HydrophobicContact CD2-CG 4.04Å; L547-R630 WeakPolarHBondContact O-CB 3.45Å; L547-R630 WeakPolarHBondContact O-CD 3.34Å; L547-R630 WeakPolarHBondContact O-CG 3.4Å
548	Q	85.5	Confident	85.4	Confident	107 Å²	107	71.4 Å²	71.4	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-102.9	-5.3	179.1	-71	-179.6	-26.4	0	0	113.4	A544 E545 D546 L626	A544-Q548 WeakPolarHBondContact O-CB 3.48Å; A544-Q548 VanDerWaalsContact O-CG 3.23Å; A544-Q548 WeakPolarHBondContact O-CG 3.49Å; A544-Q548 PolarHBondContact O-N 2.98Å; E545-Q548 CarbonylContact O-C 3.49Å; E545-Q548 WeakPolarHBondContact O-CA 3.47Å; E545-Q548 PolarHBondContact O-N 3.19Å; D546-Q548 VanDerWaalsContact C-N 3.26Å; D546-Q548 PolarHBondContact O-N 3.41Å; Q548-L626 HydrophobicContact CG-CD1 4.12Å; Q548-L626 HydrophobicContact CG-CD2 4.28Å; Q548-L626 VanDerWaalsContact NE2-CD2 3.33Å
549	D	87	Confident	85.9	Confident	97 Å²	97	66.5 Å²	66.5	52%	0.519	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-61.3	138.6	-170.6	-175.5	29.4	0	0	0	112.5	E545 D546 F551 R630	E545-D549 WeakPolarHBondContact O-CA 3.45Å; E545-D549 PolarHBondContact O-N 3Å; D546-D549 PolarHBondContact O-N 3.49Å; D549-F551 PolarHBondContact O-N 3.15Å; D549-R630 PolarHBondContact O-NH1 2.95Å; D549-R630 PolarHBondContact O-NH2 3.25Å
550	M	82	Confident	86.1	Confident	174 Å²	174	67.5 Å²	67.5	86%	0.857	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-84.9	116.5	-179.7	-69.5	-175.3	65.5	0	0	110.3
551	F	86.7	Confident	86.3	Confident	50 Å²	50	72.3 Å²	72.3	22%	0.219	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-99.4	146.1	176	53.6	-86.4	0	0	0	111.5	D549 V553 I559 L562 L634 E637	D549-F551 PolarHBondContact O-N 3.15Å; F551-V553 HydrophobicContact CD2-CG2 3.97Å; F551-I559 HydrophobicContact CD2-CD1 4.44Å; F551-I559 HydrophobicContact CE2-CD1 3.93Å; F551-L562 HydrophobicContact CB-CD1 3.72Å; F551-L562 HydrophobicContact CD2-CD1 3.88Å; F551-L562 HydrophobicContact CG-CD1 3.85Å; F551-L634 HydrophobicContact CD1-CD2 4.24Å; F551-L634 HydrophobicContact CE1-CD2 3.69Å; F551-L634 HydrophobicContact CE1-CG 4.38Å; F551-L634 HydrophobicContact CE2-CD2 4.08Å; F551-L634 HydrophobicContact CZ-CD2 3.61Å; F551-L634 HydrophobicContact CZ-CG 4.32Å; F551-E637 HydrophobicContact CD2-CG 4.48Å; F551-E637 HydrophobicContact CE2-CB 3.71Å; F551-E637 HydrophobicContact CE2-CG 3.75Å; F551-E637 HydrophobicContact CZ-CB 4.23Å
552	I	83.8	Confident	86.8	Confident	137 Å²	137	72.8 Å²	72.8	70%	0.703	37%	0.372	S	S	*	.			trans	-119.3	122.9	170.3	-53.8	175.7	0	0	0	107.5	H554	I552-H554 VanDerWaalsContact CG2-CE1 3.45Å; I552-H554 WeakPolarHBondContact CG2-CE1 3.5Å
553	V	86.2	Confident	87.1	Confident	5 Å²	5	74 Å²	74	3%	0.03	37%	0.372	C	S	.	.			trans	-122.9	135.1	-177.7	174.5	0	0	0	0	110.1	F551 S555 E558 I559 L562 Q641	F551-V553 HydrophobicContact CD2-CG2 3.97Å; V553-S555 WeakPolarHBondContact CG1-O 3.42Å; V553-E558 WeakPolarHBondContact CA-OE2 3.44Å; V553-E558 HydrophobicContact CB-CB 4.39Å; V553-E558 HydrophobicContact CG1-CB 3.54Å; V553-E558 HydrophobicContact CG2-CB 4.24Å; V553-I559 HydrophobicContact CG1-CB 3.94Å; V553-I559 HydrophobicContact CG1-CG2 4.47Å; V553-I559 HydrophobicContact CG2-CB 4.35Å; V553-I559 HydrophobicContact CG2-CD1 4.44Å; V553-L562 HydrophobicContact CG2-CD1 3.78Å; V553-Q641 HydrophobicContact CG1-CG 4.2Å; V553-Q641 PolarHBondContact O-NE2 3.08Å
554	H	82.1	Confident	87.5	Confident	134 Å²	134	79.6 Å²	79.6	62%	0.62	40%	0.398	S	S	*	.			trans	-114.6	-8.3	178.5	-54.1	88.4	0	0	0	112.9	I552 E558	I552-H554 VanDerWaalsContact CG2-CE1 3.45Å; I552-H554 WeakPolarHBondContact CG2-CE1 3.5Å; H554-E558 PolarHBondContact N-OE2 2.94Å; H554-E558 IonicContact ND1-OE2 3.77Å
555	S	84.4	Confident	87.7	Confident	38 Å²	38	81.5 Å²	81.5	27%	0.266	41%	0.414	S	S	.	.	S	Bend	trans	-137.6	156.2	-176.8	71	0	0	0	0	113.4	V553 D557 E558	V553-S555 WeakPolarHBondContact CG1-O 3.42Å; S555-D557 PolarHBondContact O-N 3.2Å; S555-E558 WeakPolarHBondContact OG-CB 3.43Å; S555-E558 VanDerWaalsContact OG-CG 3.27Å; S555-E558 WeakPolarHBondContact OG-CG 3.48Å; S555-E558 PolarHBondContact OG-N 3.27Å; S555-E558 PolarHBondContact OG-OE1 3.37Å
556	M	86.3	Confident	88	Confident	40 Å²	40	75.8 Å²	75.8	20%	0.197	39%	0.387	C	S	.	.	H	α-helix	trans	-64	-24.8	175.7	-81.3	-66.4	-59.5	0	0	113.2	I559 K560 L638 Q641 Q642	M556-I559 VanDerWaalsContact O-CG2 3.3Å; M556-I559 WeakPolarHBondContact O-CG2 3.39Å; M556-K560 WeakPolarHBondContact O-CG 3.39Å; M556-L638 HydrophobicContact CE-CD1 3.75Å; M556-L638 HydrophobicContact SD-CD1 4.36Å; M556-Q641 HydrophobicContact CG-CB 4.36Å; M556-Q641 VanDerWaalsContact SD-C 3.5Å; M556-Q641 HydrophobicContact SD-CB 3.54Å; M556-Q641 VanDerWaalsContact SD-CB 3.54Å; M556-Q642 HydrophobicContact CE-CG 3.51Å; M556-Q642 HydrophobicContact SD-CB 4.36Å; M556-Q642 HydrophobicContact SD-CG 3.68Å; M556-Q642 PolarHBondContact SD-N 2.8Å; M556-Q642 VanDerWaalsContact SD-N 3.43Å
557	D	87.8	Confident	88.2	Confident	104 Å²	104	75.1 Å²	75.1	56%	0.556	38%	0.381	S	S	*	.	H	α-helix	trans	-83.6	-37.2	-177.3	-63.8	-34.4	0	0	0	111.4	S555 I559 K560 N561	S555-D557 PolarHBondContact O-N 3.2Å; D557-I559 PolarHBondContact O-N 3.16Å; D557-K560 PolarHBondContact O-N 3.07Å; D557-K560 IonicContact OD1-NZ 3.9Å; D557-N561 PolarHBondContact O-N 3.41Å; D557-N561 PolarHBondContact O-ND2 3.12Å
558	E	89.2	Confident	88.4	Confident	79 Å²	79	81.2 Å²	81.2	37%	0.369	41%	0.409	S	S	.	.	H	α-helix	trans	-57	-46	173.5	-83.1	160	-132.1	0	0	112.6	V553 H554 S555 K560 N561 L562	V553-E558 WeakPolarHBondContact CA-OE2 3.44Å; V553-E558 HydrophobicContact CB-CB 4.39Å; V553-E558 HydrophobicContact CG1-CB 3.54Å; V553-E558 HydrophobicContact CG2-CB 4.24Å; H554-E558 PolarHBondContact N-OE2 2.94Å; H554-E558 IonicContact ND1-OE2 3.77Å; S555-E558 WeakPolarHBondContact OG-CB 3.43Å; S555-E558 VanDerWaalsContact OG-CG 3.27Å; S555-E558 WeakPolarHBondContact OG-CG 3.48Å; S555-E558 PolarHBondContact OG-N 3.27Å; S555-E558 PolarHBondContact OG-OE1 3.37Å; E558-K560 PolarHBondContact O-N 3.33Å; E558-N561 PolarHBondContact O-N 2.68Å; E558-L562 PolarHBondContact O-N 3.48Å
559	I	91.5	Very high	88.7	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-68.5	-34	-178.9	-175	59.2	0	0	0	112.3	F551 V553 M556 D557 N561 L562 I563 L634 E637 L638 Q641	F551-I559 HydrophobicContact CD2-CD1 4.44Å; F551-I559 HydrophobicContact CE2-CD1 3.93Å; V553-I559 HydrophobicContact CG1-CB 3.94Å; V553-I559 HydrophobicContact CG1-CG2 4.47Å; V553-I559 HydrophobicContact CG2-CB 4.35Å; V553-I559 HydrophobicContact CG2-CD1 4.44Å; M556-I559 VanDerWaalsContact O-CG2 3.3Å; M556-I559 WeakPolarHBondContact O-CG2 3.39Å; D557-I559 PolarHBondContact O-N 3.16Å; I559-N561 VanDerWaalsContact C-N 3.35Å; I559-L562 HydrophobicContact CD1-CD1 4.47Å; I559-L562 PolarHBondContact O-N 2.83Å; I559-I563 HydrophobicContact CG1-CD1 4.39Å; I559-I563 WeakPolarHBondContact O-CG1 3.42Å; I559-I563 PolarHBondContact O-N 3.23Å; I559-L634 HydrophobicContact CD1-CD2 4Å; I559-E637 HydrophobicContact CD1-CB 3.94Å; I559-E637 HydrophobicContact CD1-CG 3.88Å; I559-E637 HydrophobicContact CG1-CB 4.45Å; I559-E637 HydrophobicContact CG1-CG 4.29Å; I559-L638 HydrophobicContact CG1-CB 4.05Å; I559-L638 HydrophobicContact CG1-CD1 4.43Å; I559-L638 HydrophobicContact CG2-CD1 3.67Å; I559-Q641 HydrophobicContact CG2-CB 4.5Å; I559-Q641 HydrophobicContact CG2-CG 4.41Å
560	K	91.8	Very high	88.8	Confident	107 Å²	107	76.2 Å²	76.2	47%	0.465	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-39.4	177.4	-74	173.2	-174.6	168.3	0	111.9	M556 D557 E558 L562 I563 E564	M556-K560 WeakPolarHBondContact O-CG 3.39Å; D557-K560 PolarHBondContact O-N 3.07Å; D557-K560 IonicContact OD1-NZ 3.9Å; E558-K560 PolarHBondContact O-N 3.33Å; K560-L562 VanDerWaalsContact C-N 3.31Å; K560-L562 PolarHBondContact O-N 3.27Å; K560-I563 PolarHBondContact O-N 3.46Å; K560-E564 PolarHBondContact O-N 3.18Å; K560-E564 VanDerWaalsContact O-N 3.17Å
561	N	91.6	Very high	89.1	Confident	105 Å²	105	71.2 Å²	71.2	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-64	-37.4	178.1	-65.8	-19.5	0	0	0	111.8	D557 E558 I559 E564 A565	D557-N561 PolarHBondContact O-N 3.41Å; D557-N561 PolarHBondContact O-ND2 3.12Å; E558-N561 PolarHBondContact O-N 2.68Å; I559-N561 VanDerWaalsContact C-N 3.35Å; N561-E564 PolarHBondContact O-N 3.01Å; N561-A565 PolarHBondContact O-N 3.27Å
562	L	92.1	Very high	89.1	Confident	62 Å²	62	72 Å²	72	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-38.1	176.1	-69.8	172.9	0	0	0	112.5	F551 V553 E558 I559 K560 E564 A565 H566 L634	F551-L562 HydrophobicContact CB-CD1 3.72Å; F551-L562 HydrophobicContact CD2-CD1 3.88Å; F551-L562 HydrophobicContact CG-CD1 3.85Å; V553-L562 HydrophobicContact CG2-CD1 3.78Å; E558-L562 PolarHBondContact O-N 3.48Å; I559-L562 HydrophobicContact CD1-CD1 4.47Å; I559-L562 PolarHBondContact O-N 2.83Å; K560-L562 VanDerWaalsContact C-N 3.31Å; K560-L562 PolarHBondContact O-N 3.27Å; L562-E564 VanDerWaalsContact C-N 3.34Å; L562-A565 PolarHBondContact O-N 3.23Å; L562-H566 PolarHBondContact O-N 3.03Å; L562-L634 HydrophobicContact CB-CD2 3.89Å
563	I	92.1	Very high	89.3	Confident	49 Å²	49	67.6 Å²	67.6	25%	0.251	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-42.6	175.8	-68.7	167	0	0	0	110.7	I559 K560 A565 H566 E567 L634 L638	I559-I563 HydrophobicContact CG1-CD1 4.39Å; I559-I563 WeakPolarHBondContact O-CG1 3.42Å; I559-I563 PolarHBondContact O-N 3.23Å; K560-I563 PolarHBondContact O-N 3.46Å; I563-A565 PolarHBondContact O-N 3.29Å; I563-H566 PolarHBondContact O-N 3.44Å; I563-E567 PolarHBondContact O-N 3.44Å; I563-L634 HydrophobicContact CG1-CB 3.91Å; I563-L634 HydrophobicContact CG1-CD1 4.47Å; I563-L638 HydrophobicContact CD1-CB 4.38Å; I563-L638 HydrophobicContact CD1-CD2 3.94Å
564	E	93	Very high	89.3	Confident	120 Å²	120	69.9 Å²	69.9	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-39.7	178.6	-172.2	175.3	-177	0	0	112.6	K560 N561 L562 H566 E567 Q568	K560-E564 PolarHBondContact O-N 3.18Å; K560-E564 VanDerWaalsContact O-N 3.17Å; N561-E564 PolarHBondContact O-N 3.01Å; L562-E564 VanDerWaalsContact C-N 3.34Å; E564-H566 VanDerWaalsContact C-N 3.34Å; E564-H566 PolarHBondContact O-N 3.06Å; E564-E567 PolarHBondContact O-N 2.95Å; E564-Q568 PolarHBondContact O-N 3.4Å
565	A	91	Very high	89.5	Confident	54 Å²	54	71.2 Å²	71.2	45%	0.446	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177	0	0	0	0	0	112.6	N561 L562 I563 E567 Q568 F569	N561-A565 PolarHBondContact O-N 3.27Å; L562-A565 PolarHBondContact O-N 3.23Å; I563-A565 PolarHBondContact O-N 3.29Å; A565-E567 VanDerWaalsContact C-N 3.35Å; A565-E567 PolarHBondContact O-N 3.32Å; A565-Q568 PolarHBondContact O-N 2.84Å; A565-F569 PolarHBondContact O-N 3.45Å
566	H	91.4	Very high	89.5	Confident	14 Å²	14	70 Å²	70	7%	0.065	38%	0.384	C	S	.	.	H	α-helix	trans	-63.8	-37.9	178	-176.3	67.6	0	0	0	112.6	L547 L562 I563 E564 Q568 F569 K570 V627 E631 L634	L547-H566 WeakPolarHBondContact CD2-CE1 3.49Å; L562-H566 PolarHBondContact O-N 3.03Å; I563-H566 PolarHBondContact O-N 3.44Å; E564-H566 VanDerWaalsContact C-N 3.34Å; E564-H566 PolarHBondContact O-N 3.06Å; H566-Q568 VanDerWaalsContact C-N 3.33Å; H566-Q568 PolarHBondContact O-N 2.92Å; H566-F569 PolarHBondContact O-N 3.29Å; H566-K570 PolarHBondContact O-N 2.78Å; H566-V627 PolarHBondContact CE1-O 2.72Å; H566-V627 PolarHBondContact NE2-O 3.42Å; H566-E631 IonicContact NE2-OE2 3.94Å; H566-L634 HydrophobicContact CB-CD1 3.93Å
567	E	90.1	Very high	89.6	Confident	95 Å²	95	72.7 Å²	72.7	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-63.8	-37.4	175.3	-72.1	-58.1	142.9	0	0	112.6	I563 E564 A565 K570	I563-E567 PolarHBondContact O-N 3.44Å; E564-E567 PolarHBondContact O-N 2.95Å; A565-E567 VanDerWaalsContact C-N 3.35Å; A565-E567 PolarHBondContact O-N 3.32Å; E567-K570 VanDerWaalsContact OE1-CE 3.31Å; E567-K570 WeakPolarHBondContact OE1-CE 3.37Å; E567-K570 IonicContact OE1-NZ 2.65Å; E567-K570 PolarHBondContact OE1-NZ 3.34Å; E567-K570 WeakPolarHBondContact OE2-CE 3.17Å; E567-K570 IonicContact OE2-NZ 3.24Å; E567-K570 PolarHBondContact OE2-NZ 3.4Å; E567-K570 VanDerWaalsContact OE2-NZ 3.11Å
568	Q	91.2	Very high	89.5	Confident	134 Å²	134	74.6 Å²	74.6	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-67	-40.5	177.8	-66	179.1	5.1	0	0	112	E564 A565 H566 K570 G571	E564-Q568 PolarHBondContact O-N 3.4Å; A565-Q568 PolarHBondContact O-N 2.84Å; H566-Q568 VanDerWaalsContact C-N 3.33Å; H566-Q568 PolarHBondContact O-N 2.92Å; Q568-K570 VanDerWaalsContact C-N 3.33Å; Q568-K570 PolarHBondContact O-N 3.02Å; Q568-G571 PolarHBondContact O-N 3.3Å; Q568-G571 VanDerWaalsContact O-N 3.16Å
569	F	90.8	Very high	89.3	Confident	42 Å²	42	74.1 Å²	74.1	18%	0.184	40%	0.399	C	S	.	.	H	α-helix	trans	-58.2	-43.7	178	172.1	-98.3	0	0	0	112.2	A543 L547 A565 H566 G571 T572 L573 V627	A543-F569 HydrophobicContact CB-CE2 3.89Å; A543-F569 HydrophobicContact CB-CZ 3.6Å; L547-F569 HydrophobicContact CD1-CE1 3.94Å; L547-F569 HydrophobicContact CD1-CZ 4.45Å; L547-F569 HydrophobicContact CD2-CD1 4.2Å; L547-F569 HydrophobicContact CD2-CE1 4.21Å; L547-F569 HydrophobicContact CG-CE1 4.23Å; A565-F569 PolarHBondContact O-N 3.45Å; H566-F569 PolarHBondContact O-N 3.29Å; F569-G571 PolarHBondContact O-N 2.98Å; F569-T572 PolarHBondContact O-N 2.91Å; F569-T572 PolarHBondContact O-OG1 2.93Å; F569-L573 HydrophobicContact CE1-CD2 4.26Å; F569-L573 HydrophobicContact CZ-CD2 4.21Å; F569-V627 HydrophobicContact CE1-CG2 4.22Å
570	K	88.8	Confident	88.9	Confident	57 Å²	57	75.8 Å²	75.8	25%	0.248	41%	0.406	C	S	.	.	H	α-helix	trans	-54.8	-27.7	178.6	-74.2	-171.3	-71.9	-172.3	0	113.3	H566 E567 Q568 T572 V627 E631	H566-K570 PolarHBondContact O-N 2.78Å; E567-K570 VanDerWaalsContact OE1-CE 3.31Å; E567-K570 WeakPolarHBondContact OE1-CE 3.37Å; E567-K570 IonicContact OE1-NZ 2.65Å; E567-K570 PolarHBondContact OE1-NZ 3.34Å; E567-K570 WeakPolarHBondContact OE2-CE 3.17Å; E567-K570 IonicContact OE2-NZ 3.24Å; E567-K570 PolarHBondContact OE2-NZ 3.4Å; E567-K570 VanDerWaalsContact OE2-NZ 3.11Å; Q568-K570 VanDerWaalsContact C-N 3.33Å; Q568-K570 PolarHBondContact O-N 3.02Å; K570-T572 VanDerWaalsContact C-N 3.29Å; K570-T572 PolarHBondContact O-N 3.31Å; K570-V627 HydrophobicContact CD-CG1 3.76Å; K570-V627 HydrophobicContact CG-CG1 3.72Å; K570-E631 IonicContact NZ-OE1 3.86Å; K570-E631 IonicContact NZ-OE2 2.93Å; K570-E631 PolarHBondContact NZ-OE2 2.92Å
571	G	88.7	Confident	88.5	Confident	70 Å²	70	79.4 Å²	79.4	72%	0.722	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.5	177.7	0	0	0	0	0	115.5	Q568 F569	Q568-G571 PolarHBondContact O-N 3.3Å; Q568-G571 VanDerWaalsContact O-N 3.16Å; F569-G571 PolarHBondContact O-N 2.98Å
572	T	87.7	Confident	88.1	Confident	66 Å²	66	79.7 Å²	79.7	41%	0.405	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.7	-172	64.1	0	0	0	0	115	F569 K570 G574	F569-T572 PolarHBondContact O-N 2.91Å; F569-T572 PolarHBondContact O-OG1 2.93Å; K570-T572 VanDerWaalsContact C-N 3.29Å; K570-T572 PolarHBondContact O-N 3.31Å; T572-G574 VanDerWaalsContact C-N 3.25Å; T572-G574 PolarHBondContact O-N 2.81Å; T572-G574 VanDerWaalsContact O-N 3.13Å
573	L	87.1	Confident	87.5	Confident	45 Å²	45	77 Å²	77	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-22.8	-169.3	-65.6	176.7	0	0	0	114.7	W539 F569 M623	W539-L573 HydrophobicContact CH2-CD2 4.08Å; F569-L573 HydrophobicContact CE1-CD2 4.26Å; F569-L573 HydrophobicContact CZ-CD2 4.21Å; L573-M623 HydrophobicContact CD2-CE 3.88Å; L573-M623 HydrophobicContact CD2-SD 3.6Å; L573-M623 VanDerWaalsContact CD2-SD 3.6Å
574	G	86.4	Confident	86.9	Confident	52 Å²	52	77.6 Å²	77.6	54%	0.536	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-33	-176.3	0	0	0	0	0	115.4	T572	T572-G574 VanDerWaalsContact C-N 3.25Å; T572-G574 PolarHBondContact O-N 2.81Å; T572-G574 VanDerWaalsContact O-N 3.13Å
575	E	86.7	Confident	86.3	Confident	163 Å²	163	75.7 Å²	75.7	76%	0.762	41%	0.407	S	S	*	.	H	α-helix	trans	-77	-35.4	-178.4	-66.8	-177.7	172.1	0	0	112	E577 Q578	E575-E577 VanDerWaalsContact C-N 3.25Å; E575-E577 PolarHBondContact O-N 2.72Å; E575-Q578 PolarHBondContact O-N 3.24Å
576	A	85.3	Confident	85.5	Confident	12 Å²	12	74.8 Å²	74.8	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-63.7	-30.9	-178.4	0	0	0	0	0	112.5	F536 W539 Q578 E579 W620	F536-A576 HydrophobicContact CE2-CB 3.91Å; F536-A576 WeakPolarHBondContact CE2-O 3.39Å; F536-A576 HydrophobicContact CZ-CB 4.43Å; F536-A576 WeakPolarHBondContact CZ-O 3.29Å; W539-A576 HydrophobicContact CE3-CB 3.92Å; W539-A576 HydrophobicContact CH2-CB 3.27Å; W539-A576 HydrophobicContact CZ2-CB 3.95Å; W539-A576 HydrophobicContact CZ3-CB 3.27Å; A576-Q578 PolarHBondContact O-N 3.29Å; A576-Q578 VanDerWaalsContact O-N 3.11Å; A576-E579 PolarHBondContact O-N 2.95Å; A576-W620 HydrophobicContact CB-CH2 3.77Å; A576-W620 HydrophobicContact CB-CZ3 3.58Å
577	E	87.4	Confident	84.7	Confident	97 Å²	97	77 Å²	77	45%	0.453	40%	0.404	S	S	.	.	H	α-helix	trans	-61.2	-23.8	177.8	-165.7	175.4	171.8	0	0	113.5	E575 W620	E575-E577 VanDerWaalsContact C-N 3.25Å; E575-E577 PolarHBondContact O-N 2.72Å; E577-W620 HydrophobicContact CB-CH2 4.06Å; E577-W620 HydrophobicContact CB-CZ2 3.81Å; E577-W620 HydrophobicContact CG-CZ2 4.07Å
578	Q	86.7	Confident	84.1	Confident	144 Å²	144	79.9 Å²	79.9	67%	0.673	42%	0.418	S	S	*	.	H	α-helix	trans	-77.9	-44.1	-178.3	-61.9	-176.1	16.7	0	0	113.5	E575 A576 F580 R581	E575-Q578 PolarHBondContact O-N 3.24Å; A576-Q578 PolarHBondContact O-N 3.29Å; A576-Q578 VanDerWaalsContact O-N 3.11Å; Q578-F580 PolarHBondContact O-N 3.03Å; Q578-R581 PolarHBondContact O-N 3.01Å; Q578-R581 VanDerWaalsContact O-N 3.13Å
579	E	83	Confident	83.3	Confident	69 Å²	69	79.5 Å²	79.5	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-32.6	-176.7	-176.5	57.8	-159.7	0	0	112.1	F536 A576 R581 H582	F536-E579 HydrophobicContact CB-CG 4.3Å; F536-E579 HydrophobicContact CD2-CB 3.84Å; F536-E579 HydrophobicContact CD2-CG 3.87Å; F536-E579 HydrophobicContact CE2-CB 4.02Å; F536-E579 HydrophobicContact CG-CB 4.48Å; F536-E579 HydrophobicContact CG-CG 4.17Å; A576-E579 PolarHBondContact O-N 2.95Å; E579-R581 PolarHBondContact O-N 3.36Å; E579-R581 VanDerWaalsContact O-N 3.14Å; E579-H582 PolarHBondContact O-N 2.82Å
580	F	84.1	Confident	82.5	Confident	34 Å²	34	77.8 Å²	77.8	15%	0.149	41%	0.409	C	S	.	.	H	α-helix	trans	-51.5	-35.8	174.2	-178.3	-114.8	0	0	0	114.1	F536 Q578 V616 H617	F536-F580 HydrophobicContact CD1-CD2 4.43Å; F536-F580 HydrophobicContact CE1-CB 3.65Å; F536-F580 AromaticContact CE1-CD2 3.76Å; F536-F580 HydrophobicContact CE1-CD2 3.76Å; F536-F580 HydrophobicContact CE1-CG 4.16Å; F536-F580 HydrophobicContact CZ-CB 3.84Å; Q578-F580 PolarHBondContact O-N 3.03Å; F580-V616 HydrophobicContact CD2-CG1 3.8Å; F580-V616 HydrophobicContact CE2-CB 4.29Å; F580-V616 HydrophobicContact CE2-CG1 3.86Å; F580-H617 AromaticContact CE1-CD2 3.8Å; F580-H617 AromaticContact CE1-CE1 3.97Å; F580-H617 AromaticContact CE1-NE2 3.64Å; F580-H617 HydrophobicContact CE2-CB 4.22Å; F580-H617 AromaticContact CE2-CE1 3.79Å; F580-H617 AromaticContact CE2-CG 3.75Å; F580-H617 AromaticContact CE2-ND1 3.5Å; F580-H617 WeakPolarHBondContact CE2-ND1 3.49Å; F580-H617 HydrophobicContact CZ-CB 3.83Å; F580-H617 AromaticContact CZ-CD2 3.22Å; F580-H617 WeakPolarHBondContact CZ-CD2 3.48Å; F580-H617 AromaticContact CZ-CE1 3.38Å; F580-H617 WeakPolarHBondContact CZ-CE1 3.17Å; F580-H617 AromaticContact CZ-CG 3.2Å; F580-H617 AromaticContact CZ-ND1 3.31Å; F580-H617 VanDerWaalsContact CZ-ND1 3.31Å; F580-H617 WeakPolarHBondContact CZ-ND1 3.41Å; F580-H617 AromaticContact CZ-NE2 3.34Å; F580-H617 VanDerWaalsContact CZ-NE2 3.34Å; F580-H617 WeakPolarHBondContact CZ-NE2 3.29Å
581	R	84.1	Confident	81.9	Confident	184 Å²	184	81.6 Å²	81.6	69%	0.694	42%	0.422	S	S	*	.	H	α-helix	trans	-70.6	-33.1	-176.7	-65.4	-177	-177.7	172.6	2.9	113.4	Q578 E579	Q578-R581 PolarHBondContact O-N 3.01Å; Q578-R581 VanDerWaalsContact O-N 3.13Å; E579-R581 PolarHBondContact O-N 3.36Å; E579-R581 VanDerWaalsContact O-N 3.14Å
582	H	82.2	Confident	81.4	Confident	110 Å²	110	85.7 Å²	85.7	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-72.9	-35.1	-175.8	-84.8	176.8	0	0	0	114.2	E579 T584 S585	E579-H582 PolarHBondContact O-N 2.82Å; H582-T584 PolarHBondContact O-N 2.96Å; H582-T584 VanDerWaalsContact O-N 3.12Å; H582-S585 PolarHBondContact O-N 2.9Å; H582-S585 PolarHBondContact O-OG 2.92Å; H582-S585 VanDerWaalsContact O-OG 3.11Å
583	I	80.4	Confident	80.5	Confident	6 Å²	6	85.9 Å²	85.9	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-58.1	-28.5	-179.1	-70.1	154.2	0	0	0	111.8	L529 R532 A533 F536 S585	L529-I583 HydrophobicContact CD1-CG2 4.16Å; L529-I583 WeakPolarHBondContact CD1-O 3.32Å; R532-I583 HydrophobicContact CB-CG1 3.94Å; A533-I583 HydrophobicContact CB-CD1 4.36Å; A533-I583 HydrophobicContact CB-CG1 4.28Å; A533-I583 HydrophobicContact CB-CG2 3.64Å; F536-I583 HydrophobicContact CB-CD1 3.93Å; F536-I583 HydrophobicContact CD1-CD1 4.02Å; F536-I583 HydrophobicContact CG-CD1 4.2Å; I583-S585 VanDerWaalsContact C-N 3.31Å; I583-S585 PolarHBondContact O-N 3.39Å
584	T	79.7	Confident	79.8	Confident	61 Å²	61	83.8 Å²	83.8	37%	0.374	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.8	-174.6	-52.8	0	0	0	0	114.4	H582	H582-T584 PolarHBondContact O-N 2.96Å; H582-T584 VanDerWaalsContact O-N 3.12Å
585	S	80	Confident	79.2	Confident	80 Å²	80	88.1 Å²	88.1	56%	0.559	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-38	-174.6	64.7	0	0	0	0	115.6	H582 I583 E587 Q588	H582-S585 PolarHBondContact O-N 2.9Å; H582-S585 PolarHBondContact O-OG 2.92Å; H582-S585 VanDerWaalsContact O-OG 3.11Å; I583-S585 VanDerWaalsContact C-N 3.31Å; I583-S585 PolarHBondContact O-N 3.39Å; S585-E587 PolarHBondContact O-N 3.45Å; S585-Q588 PolarHBondContact O-N 3.27Å
586	L	74.7	Confident	78.5	Confident	35 Å²	35	84.8 Å²	84.8	18%	0.183	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-66	-15.7	-176.7	-78.2	163.3	0	0	0	114.2	E528 L529 Q588	E528-L586 HydrophobicContact CG-CD1 4.19Å; E528-L586 HydrophobicContact CG-CD2 4.24Å; L529-L586 HydrophobicContact CB-CB 3.8Å; L529-L586 HydrophobicContact CD1-CB 3.53Å; L529-L586 HydrophobicContact CG-CB 4.2Å; L586-Q588 VanDerWaalsContact C-N 3.28Å; L586-Q588 PolarHBondContact O-N 3.43Å
587	E	74.3	Confident	77.7	Confident	60 Å²	60	89.7 Å²	89.7	28%	0.28	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-67.6	-25.9	179.4	-160.6	-160.8	142.1	0	0	113.4	L529 S585 E589 R591 A613	L529-E587 HydrophobicContact CD2-CB 3.88Å; L529-E587 HydrophobicContact CD2-CG 4.03Å; S585-E587 PolarHBondContact O-N 3.45Å; E587-E589 PolarHBondContact O-N 3.32Å; E587-R591 IonicContact OE1-CZ 2.75Å; E587-R591 IonicContact OE1-NH2 3.9Å; E587-R591 PolarHBondContact OE1-NH2 2.97Å; E587-A613 WeakPolarHBondContact OE2-CB 3.12Å
588	Q	76.4	Confident	76.5	Confident	157 Å²	157	89 Å²	89	73%	0.734	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-76.9	-22.6	-168.7	-63.3	179.1	-3.2	0	0	114.3	S585 L586	S585-Q588 PolarHBondContact O-N 3.27Å; L586-Q588 VanDerWaalsContact C-N 3.28Å; L586-Q588 PolarHBondContact O-N 3.43Å
589	E	75.5	Confident	75.3	Confident	125 Å²	125	84.7 Å²	84.7	58%	0.584	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-39.7	-171	-174.6	175.6	170.8	0	0	114.8	E587 R591 H592	E587-E589 PolarHBondContact O-N 3.32Å; E589-R591 PolarHBondContact O-N 3.32Å; E589-R591 VanDerWaalsContact O-N 3.12Å; E589-H592 PolarHBondContact O-N 3.07Å
590	I	73.5	Confident	74.4	Confident	7 Å²	7	83 Å²	83	4%	0.036	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-49.6	-33.8	178.9	-86	146.9	0	0	0	115.1	L525 H526 L529 H592 T604	L525-I590 HydrophobicContact CB-CG1 4.07Å; H526-I590 HydrophobicContact CB-CD1 4.25Å; H526-I590 HydrophobicContact CB-CG1 4.44Å; H526-I590 WeakPolarHBondContact CE1-CG2 3.34Å; H526-I590 WeakPolarHBondContact ND1-CD1 3.26Å; H526-I590 WeakPolarHBondContact ND1-CG1 3.46Å; H526-I590 WeakPolarHBondContact ND1-CG2 3.42Å; H526-I590 WeakPolarHBondContact NE2-CG2 3.19Å; L529-I590 HydrophobicContact CD2-CD1 4.4Å; I590-H592 PolarHBondContact O-N 2.83Å; I590-T604 WeakPolarHBondContact CG2-O 3.41Å
591	R	76.2	Confident	73.4	Confident	137 Å²	137	88.8 Å²	88.8	52%	0.517	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-67.5	-11.2	-170.4	-60.5	-172.4	-174.7	163	2.8	113.5	E587 E589 T604	E587-R591 IonicContact OE1-CZ 2.75Å; E587-R591 IonicContact OE1-NH2 3.9Å; E587-R591 PolarHBondContact OE1-NH2 2.97Å; E589-R591 PolarHBondContact O-N 3.32Å; E589-R591 VanDerWaalsContact O-N 3.12Å; R591-T604 HydrophobicContact CB-CG2 4.1Å; R591-T604 HydrophobicContact CG-CG2 4.49Å; R591-T604 WeakPolarHBondContact O-CG2 3.25Å
592	H	77.9	Confident	72.4	Confident	156 Å²	156	85.9 Å²	85.9	72%	0.722	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-85.8	-34.6	-174.2	-175.2	-92.8	0	0	0	115.8	E589 I590 V594	E589-H592 PolarHBondContact O-N 3.07Å; I590-H592 PolarHBondContact O-N 2.83Å; H592-V594 PolarHBondContact O-N 3.31Å
593	L	68.5	Low	71.6	Confident	70 Å²	70	81 Å²	81	37%	0.366	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-73.8	-19.6	-173	-84.9	172.6	0	0	0	115.9	I522 L525 Q595 S596	I522-L593 HydrophobicContact CG1-CB 4.38Å; L525-L593 HydrophobicContact CD1-CD1 3.58Å; L593-Q595 VanDerWaalsContact C-N 3.35Å; L593-Q595 PolarHBondContact O-N 3.09Å; L593-S596 PolarHBondContact O-OG 3.22Å
594	V	71.6	Confident	70.9	Confident	1 Å²	1	82.4 Å²	82.4	1%	0.006	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-74.5	-26.1	-168.8	168.7	0	0	0	0	112.7	I522 H592 S596 G600 V603 T604	I522-V594 HydrophobicContact CG2-CG2 4.5Å; H592-V594 PolarHBondContact O-N 3.31Å; V594-S596 PolarHBondContact O-N 2.93Å; V594-G600 WeakPolarHBondContact CG1-O 3.25Å; V594-V603 HydrophobicContact CB-CB 4.05Å; V594-V603 HydrophobicContact CG1-CB 3.49Å; V594-V603 VanDerWaalsContact CG1-CB 3.49Å; V594-V603 HydrophobicContact CG1-CG2 3.95Å; V594-V603 HydrophobicContact CG2-CB 3.56Å; V594-V603 HydrophobicContact CG2-CG1 3.99Å; V594-V603 VanDerWaalsContact CG2-O 3.3Å; V594-V603 WeakPolarHBondContact CG2-O 3.35Å; V594-T604 HydrophobicContact CB-CG2 3.71Å; V594-T604 HydrophobicContact CG1-CG2 3.91Å; V594-T604 HydrophobicContact CG2-CG2 3.74Å
595	Q	74.6	Confident	70.2	Confident	142 Å²	142	85.4 Å²	85.4	66%	0.664	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-80.2	-8.9	-168.5	-64.9	177.7	-1.3	0	0	114.9	L593	L593-Q595 VanDerWaalsContact C-N 3.35Å; L593-Q595 PolarHBondContact O-N 3.09Å
596	S	73.2	Confident	69.6	Low	93 Å²	93	82.9 Å²	82.9	65%	0.65	44%	0.437	S	S	*	.	S	Bend	trans	-102.4	-18.4	-167.6	60.6	0	0	0	0	118.2	L593 V594	L593-S596 PolarHBondContact O-OG 3.22Å; V594-S596 PolarHBondContact O-N 2.93Å
597	N	67.4	Low	69	Low	116 Å²	116	83.6 Å²	83.6	62%	0.62	44%	0.444	S	S	*	.	S	Bend	trans	-102.4	19.1	-174.8	-76.6	-67.3	0	0	0	114.6	L599	N597-L599 HydrophobicContact CB-CD1 3.76Å; N597-L599 HydrophobicContact CB-CG 3.88Å; N597-L599 PolarHBondContact O-N 3.4Å
598	G	61.9	Low	68.6	Low	83 Å²	83	83.1 Å²	83.1	86%	0.856	44%	0.44	S	S	*	.	S	Bend	trans	65.9	20.7	-174.7	0	0	0	0	0	113.9
599	L	62.4	Low	67.9	Low	53 Å²	53	76.2 Å²	76.2	28%	0.277	41%	0.41	S	S	.	.			trans	-91.1	143.2	178.3	-59.2	171	0	0	0	109.2	Y441 M519 I522 N597 V603	Y441-L599 HydrophobicContact CE1-CB 4.34Å; M519-L599 HydrophobicContact CE-CD1 3.39Å; M519-L599 HydrophobicContact CE-CD2 3.37Å; M519-L599 HydrophobicContact CE-CG 3.95Å; M519-L599 HydrophobicContact SD-CD1 4.25Å; I522-L599 HydrophobicContact CD1-CD1 4.19Å; N597-L599 HydrophobicContact CB-CD1 3.76Å; N597-L599 HydrophobicContact CB-CG 3.88Å; N597-L599 PolarHBondContact O-N 3.4Å; L599-V603 HydrophobicContact CB-CG2 4.22Å
600	G	64.6	Low	67	Low	34 Å²	34	74.9 Å²	74.9	35%	0.351	42%	0.421	S	S	.	.			trans	-66.7	158.9	-177.6	0	0	0	0	0	114	Y441 V594 E602 V603	Y441-G600 WeakPolarHBondContact OH-CA 3.36Å; Y441-G600 PolarHBondContact OH-N 2.76Å; Y441-G600 PolarHBondContact OH-O 3.07Å; V594-G600 WeakPolarHBondContact CG1-O 3.25Å; G600-E602 PolarHBondContact O-N 3.48Å; G600-V603 WeakPolarHBondContact O-CG2 3.22Å; G600-V603 PolarHBondContact O-N 3.47Å
601	Q	61.7	Low	66.1	Low	154 Å²	154	75.1 Å²	75.1	72%	0.72	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-53.7	-18.1	-178.1	-120.3	165	-4.8	0	0	114.8	V603 T604	Q601-V603 VanDerWaalsContact C-N 3.28Å; Q601-V603 PolarHBondContact O-N 2.85Å; Q601-T604 PolarHBondContact O-N 3.26Å; Q601-T604 PolarHBondContact O-OG1 2.94Å
602	E	62.9	Low	65.4	Low	123 Å²	123	73 Å²	73	58%	0.575	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.2	-177.7	-50.3	-175.5	-178.6	0	0	114.2	Y441 G600 T604 I605	Y441-E602 HydrophobicContact CE2-CB 3.78Å; Y441-E602 HydrophobicContact CE2-CG 4.44Å; G600-E602 PolarHBondContact O-N 3.48Å; E602-T604 PolarHBondContact O-N 3.1Å; E602-T604 VanDerWaalsContact O-N 3.1Å; E602-I605 PolarHBondContact O-N 2.89Å
603	V	66.9	Low	64.8	Low	8 Å²	8	66.8 Å²	66.8	5%	0.048	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-71.1	-5.6	178.3	-157.7	0	0	0	0	112.5	Y441 I522 H526 V594 L599 G600 Q601 I605	Y441-V603 HydrophobicContact CD1-CB 4.37Å; Y441-V603 HydrophobicContact CD1-CG2 3.06Å; Y441-V603 HydrophobicContact CE1-CB 4.41Å; Y441-V603 HydrophobicContact CE1-CG2 2.96Å; Y441-V603 HydrophobicContact CG-CG2 3.92Å; I522-V603 HydrophobicContact CD1-CG1 4.22Å; I522-V603 HydrophobicContact CG2-CG1 3.88Å; H526-V603 PolarHBondContact NE2-O 3.44Å; V594-V603 HydrophobicContact CB-CB 4.05Å; V594-V603 HydrophobicContact CG1-CB 3.49Å; V594-V603 VanDerWaalsContact CG1-CB 3.49Å; V594-V603 HydrophobicContact CG1-CG2 3.95Å; V594-V603 HydrophobicContact CG2-CB 3.56Å; V594-V603 HydrophobicContact CG2-CG1 3.99Å; V594-V603 VanDerWaalsContact CG2-O 3.3Å; V594-V603 WeakPolarHBondContact CG2-O 3.35Å; L599-V603 HydrophobicContact CB-CG2 4.22Å; G600-V603 WeakPolarHBondContact O-CG2 3.22Å; G600-V603 PolarHBondContact O-N 3.47Å; Q601-V603 VanDerWaalsContact C-N 3.28Å; Q601-V603 PolarHBondContact O-N 2.85Å; V603-I605 VanDerWaalsContact C-N 3.27Å; V603-I605 PolarHBondContact O-N 3.38Å
604	T	65.1	Low	65	Low	35 Å²	35	66.8 Å²	66.8	22%	0.215	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-76.8	-12.8	177.4	54.6	0	0	0	0	113.3	I590 R591 V594 Q601 E602	I590-T604 WeakPolarHBondContact CG2-O 3.41Å; R591-T604 HydrophobicContact CB-CG2 4.1Å; R591-T604 HydrophobicContact CG-CG2 4.49Å; R591-T604 WeakPolarHBondContact O-CG2 3.25Å; V594-T604 HydrophobicContact CB-CG2 3.71Å; V594-T604 HydrophobicContact CG1-CG2 3.91Å; V594-T604 HydrophobicContact CG2-CG2 3.74Å; Q601-T604 PolarHBondContact O-N 3.26Å; Q601-T604 PolarHBondContact O-OG1 2.94Å; E602-T604 PolarHBondContact O-N 3.1Å; E602-T604 VanDerWaalsContact O-N 3.1Å
605	I	65	Low	65	Low	125 Å²	125	69.6 Å²	69.6	64%	0.641	42%	0.42	S	S	*	.	S	Bend	trans	-78.1	131.8	177.7	-63.3	170.2	0	0	0	109.6	H526 E602 V603 P607	H526-I605 PolarHBondContact CE1-O 3.17Å; H526-I605 VanDerWaalsContact CE1-O 3.29Å; E602-I605 PolarHBondContact O-N 2.89Å; V603-I605 VanDerWaalsContact C-N 3.27Å; V603-I605 PolarHBondContact O-N 3.38Å; I605-P607 WeakPolarHBondContact O-CD 3.27Å
606	N	67.3	Low	65.2	Low	26 Å²	26	63 Å²	63	14%	0.139	39%	0.389	C	S	.	.			trans	-71.1	109.4	-175	-167.9	-30.6	0	0	0	115.1	H526 L529 Y608 A609	H526-N606 WeakPolarHBondContact CA-ND2 3.35Å; H526-N606 WeakPolarHBondContact CB-OD1 3.49Å; H526-N606 WeakPolarHBondContact CE1-CA 3.28Å; H526-N606 WeakPolarHBondContact ND1-CA 3.14Å; H526-N606 WeakPolarHBondContact ND1-CB 3.42Å; H526-N606 PolarHBondContact ND1-ND2 3.29Å; H526-N606 PolarHBondContact ND1-OD1 3.41Å; H526-N606 PolarHBondContact O-ND2 2.95Å; H526-N606 PolarHBondContact O-OD1 3.03Å; L529-N606 HydrophobicContact CD2-CB 4.48Å; L529-N606 WeakPolarHBondContact CD2-ND2 3.48Å; N606-Y608 VanDerWaalsContact C-N 3.28Å; N606-Y608 PolarHBondContact O-N 3.43Å; N606-Y608 PolarHBondContact OD1-N 3Å; N606-A609 HydrophobicContact CB-CB 4.21Å; N606-A609 PolarHBondContact OD1-N 3.16Å
607	P	61.5	Low	65.5	Low	51 Å²	51	62.2 Å²	62.2	33%	0.331	38%	0.376	S	S	.	.	S	Bend	trans	-74.9	-7.7	-177.3	6.7	2.6	0	0	0	115.7	Y443 H526 I605	Y443-P607 VanDerWaalsContact CB-CB 3.43Å; Y443-P607 HydrophobicContact CD1-CB 4.13Å; Y443-P607 HydrophobicContact CD1-CG 4.25Å; Y443-P607 HydrophobicContact CD2-CB 4.39Å; Y443-P607 HydrophobicContact CG-CB 3.72Å; Y443-P607 HydrophobicContact CG-CG 4.27Å; H526-P607 VanDerWaalsContact CD2-CD 3.49Å; H526-P607 WeakPolarHBondContact CD2-CD 3.47Å; H526-P607 VanDerWaalsContact CE1-CD 3.43Å; H526-P607 WeakPolarHBondContact CE1-CD 3.49Å; H526-P607 VanDerWaalsContact CG-CD 3.41Å; H526-P607 WeakPolarHBondContact ND1-CD 3.43Å; I605-P607 WeakPolarHBondContact O-CD 3.27Å
608	Y	66.4	Low	66.3	Low	49 Å²	49	63.3 Å²	63.3	19%	0.192	37%	0.371	C	S	.	.	S	Bend	trans	-118.4	-26.6	-168.8	-54.5	-111.7	0	0	0	112	D523 Q524 H526 L527 A530 N606 A610	D523-Y608 VanDerWaalsContact C-CZ 3.43Å; D523-Y608 WeakPolarHBondContact CA-OH 3.14Å; D523-Y608 HydrophobicContact CB-CE1 4.28Å; D523-Y608 HydrophobicContact CB-CE2 3.78Å; D523-Y608 VanDerWaalsContact CG-CE2 3.43Å; D523-Y608 VanDerWaalsContact O-CZ 3.31Å; D523-Y608 PolarHBondContact O-OH 3.47Å; D523-Y608 WeakPolarHBondContact OD1-CE1 3.33Å; D523-Y608 WeakPolarHBondContact OD1-CE2 3.29Å; D523-Y608 WeakPolarHBondContact OD2-CE1 3.47Å; Q524-Y608 PolarHBondContact N-OH 3.05Å; Q524-Y608 VanDerWaalsContact N-OH 3.17Å; H526-Y608 HydrophobicContact CB-CD2 3.22Å; H526-Y608 HydrophobicContact CB-CE2 3.21Å; H526-Y608 HydrophobicContact CB-CG 4.28Å; L527-Y608 HydrophobicContact CB-CD1 4.2Å; L527-Y608 HydrophobicContact CB-CE1 3.99Å; L527-Y608 WeakPolarHBondContact CB-OH 3.18Å; L527-Y608 HydrophobicContact CD1-CD1 3.72Å; L527-Y608 HydrophobicContact CD1-CE1 3.96Å; L527-Y608 HydrophobicContact CG-CE1 4.5Å; L527-Y608 PolarHBondContact N-OH 3.07Å; A530-Y608 WeakPolarHBondContact CB-O 3.48Å; N606-Y608 VanDerWaalsContact C-N 3.28Å; N606-Y608 PolarHBondContact O-N 3.43Å; N606-Y608 PolarHBondContact OD1-N 3Å; Y608-A610 VanDerWaalsContact C-N 3.33Å; Y608-A610 PolarHBondContact O-N 3.07Å; Y608-A610 VanDerWaalsContact O-N 3.17Å
609	A	62.1	Low	67.2	Low	13 Å²	13	61.3 Å²	61.3	11%	0.107	34%	0.339	C	S	.	.			trans	-80.7	89.9	166.8	0	0	0	0	0	106.6	L529 A530 N606 T611	L529-A609 HydrophobicContact CD2-CB 4.35Å; L529-A609 HydrophobicContact CG-CB 4.39Å; A530-A609 HydrophobicContact CB-CB 4.33Å; N606-A609 HydrophobicContact CB-CB 4.21Å; N606-A609 PolarHBondContact OD1-N 3.16Å; A609-T611 PolarHBondContact O-N 3.34Å
610	A	56.2	Low	68.4	Low	97 Å²	97	59.8 Å²	59.8	80%	0.802	33%	0.329	S	S	*	.	S	Bend	trans	-60.7	-36.8	176.9	0	0	0	0	0	111.3	Y608 N612	Y608-A610 VanDerWaalsContact C-N 3.33Å; Y608-A610 PolarHBondContact O-N 3.07Å; Y608-A610 VanDerWaalsContact O-N 3.17Å; A610-N612 PolarHBondContact O-N 3.2Å
611	T	55.7	Low	69.5	Low	12 Å²	12	64.1 Å²	64.1	7%	0.074	34%	0.341	C	S	.	.	S	Bend	trans	-79.7	111.5	164.4	48.2	0	0	0	0	108.4	S537 A609 E615 V616	S537-T611 WeakPolarHBondContact OG-CG2 3.36Å; A609-T611 PolarHBondContact O-N 3.34Å; T611-E615 HydrophobicContact CG2-CB 4.29Å; T611-E615 HydrophobicContact CG2-CG 4.05Å; T611-V616 HydrophobicContact CG2-CG2 4.07Å; T611-V616 WeakPolarHBondContact OG1-CG2 3.19Å
612	N	61.3	Low	70.6	Confident	92 Å²	92	60.5 Å²	60.5	49%	0.492	32%	0.323	S	S	.	.			trans	-54.5	153.7	162.2	72.1	44.8	0	0	0	107.7	A610 A614 E615 V616	A610-N612 PolarHBondContact O-N 3.2Å; N612-A614 PolarHBondContact O-N 3.21Å; N612-A614 WeakPolarHBondContact OD1-CA 3.39Å; N612-A614 WeakPolarHBondContact OD1-CB 3.46Å; N612-A614 PolarHBondContact OD1-N 3.24Å; N612-E615 PolarHBondContact O-N 3.47Å; N612-E615 PolarHBondContact OD1-N 3.42Å; N612-V616 PolarHBondContact O-N 3.46Å
613	A	64.9	Low	71.8	Confident	25 Å²	25	54.7 Å²	54.7	21%	0.207	30%	0.296	C	S	.	.	H	α-helix	trans	-53.3	-29	-177.4	0	0	0	0	0	112	E587 H617	E587-A613 WeakPolarHBondContact OE2-CB 3.12Å; A613-H617 PolarHBondContact O-CE1 3.11Å; A613-H617 PolarHBondContact O-ND1 3.48Å
614	A	71.5	Confident	72.8	Confident	71 Å²	71	59.5 Å²	59.5	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-76.6	-17.5	175.5	0	0	0	0	0	115.7	N612 H617 R618	N612-A614 PolarHBondContact O-N 3.21Å; N612-A614 WeakPolarHBondContact OD1-CA 3.39Å; N612-A614 WeakPolarHBondContact OD1-CB 3.46Å; N612-A614 PolarHBondContact OD1-N 3.24Å; A614-H617 WeakPolarHBondContact O-CB 3.26Å; A614-R618 PolarHBondContact O-N 2.86Å
615	E	72.9	Confident	73.9	Confident	59 Å²	59	63.8 Å²	63.8	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-86.9	-37.8	-179	-177.8	155.8	-150.4	0	0	112	T611 N612 H617 R618 K619	T611-E615 HydrophobicContact CG2-CB 4.29Å; T611-E615 HydrophobicContact CG2-CG 4.05Å; N612-E615 PolarHBondContact O-N 3.47Å; N612-E615 PolarHBondContact OD1-N 3.42Å; E615-H617 PolarHBondContact O-N 2.95Å; E615-R618 PolarHBondContact O-N 3.24Å; E615-R618 IonicContact OE1-NH2 2.69Å; E615-R618 PolarHBondContact OE1-NH2 3.12Å; E615-K619 PolarHBondContact O-N 3.44Å
616	V	77.5	Confident	75	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-54.1	-37.9	166.8	-172	0	0	0	0	109.4	F536 F580 T611 N612 R618 W620	F536-V616 HydrophobicContact CD1-CG1 3.79Å; F536-V616 HydrophobicContact CE1-CG1 4.15Å; F580-V616 HydrophobicContact CD2-CG1 3.8Å; F580-V616 HydrophobicContact CE2-CB 4.29Å; F580-V616 HydrophobicContact CE2-CG1 3.86Å; T611-V616 HydrophobicContact CG2-CG2 4.07Å; T611-V616 WeakPolarHBondContact OG1-CG2 3.19Å; N612-V616 PolarHBondContact O-N 3.46Å; V616-R618 PolarHBondContact O-N 2.98Å; V616-W620 PolarHBondContact O-N 3.45Å
617	H	80.5	Confident	76.1	Confident	78 Å²	78	57.8 Å²	57.8	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-39.6	176	-74	58.7	0	0	0	112.9	F580 A613 A614 E615	F580-H617 AromaticContact CE1-CD2 3.8Å; F580-H617 AromaticContact CE1-CE1 3.97Å; F580-H617 AromaticContact CE1-NE2 3.64Å; F580-H617 HydrophobicContact CE2-CB 4.22Å; F580-H617 AromaticContact CE2-CE1 3.79Å; F580-H617 AromaticContact CE2-CG 3.75Å; F580-H617 AromaticContact CE2-ND1 3.5Å; F580-H617 WeakPolarHBondContact CE2-ND1 3.49Å; F580-H617 HydrophobicContact CZ-CB 3.83Å; F580-H617 AromaticContact CZ-CD2 3.22Å; F580-H617 WeakPolarHBondContact CZ-CD2 3.48Å; F580-H617 AromaticContact CZ-CE1 3.38Å; F580-H617 WeakPolarHBondContact CZ-CE1 3.17Å; F580-H617 AromaticContact CZ-CG 3.2Å; F580-H617 AromaticContact CZ-ND1 3.31Å; F580-H617 VanDerWaalsContact CZ-ND1 3.31Å; F580-H617 WeakPolarHBondContact CZ-ND1 3.41Å; F580-H617 AromaticContact CZ-NE2 3.34Å; F580-H617 VanDerWaalsContact CZ-NE2 3.34Å; F580-H617 WeakPolarHBondContact CZ-NE2 3.29Å; A613-H617 PolarHBondContact O-CE1 3.11Å; A613-H617 PolarHBondContact O-ND1 3.48Å; A614-H617 WeakPolarHBondContact O-CB 3.26Å; E615-H617 PolarHBondContact O-N 2.95Å
618	R	84.3	Confident	77.5	Confident	139 Å²	139	59 Å²	59	53%	0.525	31%	0.313	S	S	.	.	H	α-helix	trans	-71.5	-43.9	179.9	-172.8	-175.8	66.6	89.1	-1.5	112.4	A614 E615 V616 W620 Q621 H622	A614-R618 PolarHBondContact O-N 2.86Å; E615-R618 PolarHBondContact O-N 3.24Å; E615-R618 IonicContact OE1-NH2 2.69Å; E615-R618 PolarHBondContact OE1-NH2 3.12Å; V616-R618 PolarHBondContact O-N 2.98Å; R618-W620 VanDerWaalsContact C-N 3.32Å; R618-W620 PolarHBondContact O-N 3.39Å; R618-Q621 WeakPolarHBondContact O-CB 3.43Å; R618-Q621 PolarHBondContact O-N 3.49Å; R618-Q621 VanDerWaalsContact O-N 3.16Å; R618-H622 PolarHBondContact O-N 3.17Å; R618-H622 VanDerWaalsContact O-N 3.13Å
619	K	81.6	Confident	78.6	Confident	41 Å²	41	62.2 Å²	62.2	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-39.7	-178.8	-73.7	-173.8	172.6	-170	0	112.3	S537 L540 D541 E615 Q621 H622 M623	S537-K619 PolarHBondContact OG-NZ 3.37Å; L540-K619 HydrophobicContact CD1-CB 4.19Å; D541-K619 WeakPolarHBondContact OD1-CD 3.29Å; D541-K619 VanDerWaalsContact OD1-CE 3.25Å; D541-K619 WeakPolarHBondContact OD1-CE 3.37Å; D541-K619 IonicContact OD1-NZ 3.48Å; D541-K619 PolarHBondContact OD1-NZ 2.98Å; D541-K619 IonicContact OD2-NZ 3.66Å; D541-K619 PolarHBondContact OD2-NZ 3.28Å; E615-K619 PolarHBondContact O-N 3.44Å; K619-Q621 VanDerWaalsContact C-N 3.27Å; K619-Q621 PolarHBondContact O-N 3.45Å; K619-H622 PolarHBondContact O-N 3.14Å; K619-H622 VanDerWaalsContact O-N 3.1Å; K619-M623 PolarHBondContact O-N 3.14Å
620	W	86.6	Confident	79.9	Confident	21 Å²	21	62.6 Å²	62.6	8%	0.08	33%	0.33	C	S	.	.	H	α-helix	trans	-54	-45.3	173.2	-179.7	-98.8	0	0	0	111.8	F536 W539 L540 A576 E577 V616 R618 H622 M623 Q624	F536-W620 HydrophobicContact CE1-CE3 4.14Å; F536-W620 HydrophobicContact CE2-CZ3 4.38Å; F536-W620 AromaticContact CZ-CE3 3.63Å; F536-W620 HydrophobicContact CZ-CE3 3.63Å; F536-W620 AromaticContact CZ-CZ3 3.72Å; F536-W620 HydrophobicContact CZ-CZ3 3.72Å; W539-W620 AromaticContact CZ3-CZ3 3.83Å; W539-W620 HydrophobicContact CZ3-CZ3 3.83Å; L540-W620 HydrophobicContact CD1-CB 4.16Å; L540-W620 HydrophobicContact CD1-CE3 4.16Å; L540-W620 HydrophobicContact CD2-CD2 4.47Å; L540-W620 HydrophobicContact CD2-CE3 3.57Å; L540-W620 HydrophobicContact CD2-CZ3 4.03Å; L540-W620 HydrophobicContact CG-CE3 4.3Å; A576-W620 HydrophobicContact CB-CH2 3.77Å; A576-W620 HydrophobicContact CB-CZ3 3.58Å; E577-W620 HydrophobicContact CB-CH2 4.06Å; E577-W620 HydrophobicContact CB-CZ2 3.81Å; E577-W620 HydrophobicContact CG-CZ2 4.07Å; V616-W620 PolarHBondContact O-N 3.45Å; R618-W620 VanDerWaalsContact C-N 3.32Å; R618-W620 PolarHBondContact O-N 3.39Å; W620-H622 PolarHBondContact O-N 2.97Å; W620-M623 HydrophobicContact CD2-CE 4.38Å; W620-M623 HydrophobicContact CE3-CE 3.95Å; W620-M623 HydrophobicContact CH2-CE 4Å; W620-M623 HydrophobicContact CZ2-CE 4.5Å; W620-M623 HydrophobicContact CZ3-CE 3.72Å; W620-Q624 WeakPolarHBondContact O-CG 3.38Å; W620-Q624 PolarHBondContact O-N 3.37Å
621	Q	86.8	Confident	81.6	Confident	125 Å²	125	62.1 Å²	62.1	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-67.7	-33.6	177.4	-66.4	-179.8	-14.1	0	0	113.4	R618 K619	R618-Q621 WeakPolarHBondContact O-CB 3.43Å; R618-Q621 PolarHBondContact O-N 3.49Å; R618-Q621 VanDerWaalsContact O-N 3.16Å; K619-Q621 VanDerWaalsContact C-N 3.27Å; K619-Q621 PolarHBondContact O-N 3.45Å
622	H	85	Confident	83.3	Confident	77 Å²	77	66.1 Å²	66.1	36%	0.356	33%	0.332	S	S	.	.	H	α-helix	trans	-71.2	-44.6	-179.8	-176.9	49.9	0	0	0	112.4	R618 K619 W620 Q624 Q625 L626	R618-H622 PolarHBondContact O-N 3.17Å; R618-H622 VanDerWaalsContact O-N 3.13Å; K619-H622 PolarHBondContact O-N 3.14Å; K619-H622 VanDerWaalsContact O-N 3.1Å; W620-H622 PolarHBondContact O-N 2.97Å; H622-Q624 PolarHBondContact O-N 2.9Å; H622-Q625 WeakPolarHBondContact O-CB 3.43Å; H622-Q625 PolarHBondContact O-N 3.05Å; H622-L626 PolarHBondContact O-N 3.28Å
623	M	89.4	Confident	84.7	Confident	2 Å²	2	66 Å²	66	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-55.6	-40.2	176.4	173.4	-84	-68.7	0	0	111.2	W539 L540 A543 L573 K619 W620 Q625 L626	W539-M623 HydrophobicContact CH2-CE 4.31Å; W539-M623 HydrophobicContact CZ3-CE 4.05Å; L540-M623 HydrophobicContact CD2-CB 4.01Å; L540-M623 HydrophobicContact CD2-CE 3.5Å; L540-M623 VanDerWaalsContact CD2-CE 3.5Å; L540-M623 HydrophobicContact CD2-CG 4.19Å; A543-M623 HydrophobicContact CB-CG 4.11Å; L573-M623 HydrophobicContact CD2-CE 3.88Å; L573-M623 HydrophobicContact CD2-SD 3.6Å; L573-M623 VanDerWaalsContact CD2-SD 3.6Å; K619-M623 PolarHBondContact O-N 3.14Å; W620-M623 HydrophobicContact CD2-CE 4.38Å; W620-M623 HydrophobicContact CE3-CE 3.95Å; W620-M623 HydrophobicContact CH2-CE 4Å; W620-M623 HydrophobicContact CZ2-CE 4.5Å; W620-M623 HydrophobicContact CZ3-CE 3.72Å; M623-Q625 PolarHBondContact O-N 3.05Å; M623-Q625 VanDerWaalsContact O-N 3.13Å; M623-L626 PolarHBondContact O-N 3.47Å; M623-L626 VanDerWaalsContact O-N 3.14Å
624	Q	87	Confident	86	Confident	108 Å²	108	65 Å²	65	51%	0.505	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-23	175.9	-70.2	-175	-35.3	0	0	114.1	W620 H622	W620-Q624 WeakPolarHBondContact O-CG 3.38Å; W620-Q624 PolarHBondContact O-N 3.37Å; H622-Q624 PolarHBondContact O-N 2.9Å
625	Q	88.9	Confident	87	Confident	126 Å²	126	66 Å²	66	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-86.2	-28.3	176.9	-64.7	176.5	-9.9	0	0	113.5	H622 M623 P628	H622-Q625 WeakPolarHBondContact O-CB 3.43Å; H622-Q625 PolarHBondContact O-N 3.05Å; M623-Q625 PolarHBondContact O-N 3.05Å; M623-Q625 VanDerWaalsContact O-N 3.13Å; Q625-P628 VanDerWaalsContact O-CD 3.31Å; Q625-P628 WeakPolarHBondContact O-CD 3.21Å; Q625-P628 WeakPolarHBondContact O-CG 3.2Å
626	L	87.7	Confident	87.8	Confident	9 Å²	9	68.8 Å²	68.8	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-76.5	-31	-175	-69.7	176.7	0	0	0	113.4	A544 L547 Q548 H622 M623 M629 R630	A544-L626 HydrophobicContact CB-CD1 3.72Å; L547-L626 HydrophobicContact CB-CB 4.32Å; L547-L626 HydrophobicContact CD1-CB 4.05Å; Q548-L626 HydrophobicContact CG-CD1 4.12Å; Q548-L626 HydrophobicContact CG-CD2 4.28Å; Q548-L626 VanDerWaalsContact NE2-CD2 3.33Å; H622-L626 PolarHBondContact O-N 3.28Å; M623-L626 PolarHBondContact O-N 3.47Å; M623-L626 VanDerWaalsContact O-N 3.14Å; L626-M629 HydrophobicContact CD2-SD 4.32Å; L626-M629 WeakPolarHBondContact O-CB 3.25Å; L626-M629 PolarHBondContact O-N 2.9Å; L626-R630 PolarHBondContact O-N 3.47Å; L626-R630 VanDerWaalsContact O-N 3.08Å
627	V	90.3	Very high	88.4	Confident	15 Å²	15	70.1 Å²	70.1	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-50.7	-52.2	-179.7	176	0	0	0	0	113.2	L547 H566 F569 K570 M629	L547-V627 HydrophobicContact CD1-CG2 3.62Å; L547-V627 HydrophobicContact CD2-CG2 4.4Å; H566-V627 PolarHBondContact CE1-O 2.72Å; H566-V627 PolarHBondContact NE2-O 3.42Å; F569-V627 HydrophobicContact CE1-CG2 4.22Å; K570-V627 HydrophobicContact CD-CG1 3.76Å; K570-V627 HydrophobicContact CG-CG1 3.72Å; V627-M629 VanDerWaalsContact C-N 3.34Å; V627-M629 PolarHBondContact O-N 3.48Å
628	P	90.2	Very high	88.9	Confident	77 Å²	77	67.4 Å²	67.4	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-26.8	177.6	26.4	-35.9	0	0	0	113.9	Q625 D632	Q625-P628 VanDerWaalsContact O-CD 3.31Å; Q625-P628 WeakPolarHBondContact O-CD 3.21Å; Q625-P628 WeakPolarHBondContact O-CG 3.2Å; P628-D632 PolarHBondContact O-N 2.76Å
629	M	89.8	Confident	89.3	Confident	117 Å²	117	64.9 Å²	64.9	58%	0.576	32%	0.316	S	S	*	.	H	α-helix	trans	-69.8	-40.1	179	-67.1	-178	65.3	0	0	111.9	L626 V627 E631 D632 Q633	L626-M629 HydrophobicContact CD2-SD 4.32Å; L626-M629 WeakPolarHBondContact O-CB 3.25Å; L626-M629 PolarHBondContact O-N 2.9Å; V627-M629 VanDerWaalsContact C-N 3.34Å; V627-M629 PolarHBondContact O-N 3.48Å; M629-E631 VanDerWaalsContact C-N 3.29Å; M629-E631 PolarHBondContact O-N 2.84Å; M629-D632 PolarHBondContact O-N 2.81Å; M629-Q633 PolarHBondContact O-N 3.31Å
630	R	90.3	Very high	89.6	Confident	20 Å²	20	67.9 Å²	67.9	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-37.9	177	-179.8	49.4	156.7	-155.3	-4.4	112.3	D546 L547 D549 L626 D632 Q633 L634	D546-R630 PolarHBondContact O-NH2 2.83Å; L547-R630 HydrophobicContact CB-CB 4.41Å; L547-R630 HydrophobicContact CD2-CB 3.95Å; L547-R630 HydrophobicContact CD2-CG 4.04Å; L547-R630 WeakPolarHBondContact O-CB 3.45Å; L547-R630 WeakPolarHBondContact O-CD 3.34Å; L547-R630 WeakPolarHBondContact O-CG 3.4Å; D549-R630 PolarHBondContact O-NH1 2.95Å; D549-R630 PolarHBondContact O-NH2 3.25Å; L626-R630 PolarHBondContact O-N 3.47Å; L626-R630 VanDerWaalsContact O-N 3.08Å; R630-D632 VanDerWaalsContact C-N 3.33Å; R630-D632 PolarHBondContact O-N 3.41Å; R630-Q633 PolarHBondContact O-N 2.9Å; R630-L634 HydrophobicContact CG-CD1 4.28Å; R630-L634 PolarHBondContact O-N 3.44Å; R630-L634 VanDerWaalsContact O-N 3.17Å
631	E	91.4	Very high	89.8	Confident	88 Å²	88	67.4 Å²	67.4	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-42.2	178.2	-163.1	168.8	149.6	0	0	111.8	H566 K570 M629 Q635	H566-E631 IonicContact NE2-OE2 3.94Å; K570-E631 IonicContact NZ-OE1 3.86Å; K570-E631 IonicContact NZ-OE2 2.93Å; K570-E631 PolarHBondContact NZ-OE2 2.92Å; M629-E631 VanDerWaalsContact C-N 3.29Å; M629-E631 PolarHBondContact O-N 2.84Å; E631-Q635 PolarHBondContact O-N 3.24Å
632	D	91.5	Very high	89.9	Confident	95 Å²	95	65 Å²	65	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-41.3	176.7	-172.9	69.8	0	0	0	112.6	P628 M629 R630 L634 Q635 Q636	P628-D632 PolarHBondContact O-N 2.76Å; M629-D632 PolarHBondContact O-N 2.81Å; R630-D632 VanDerWaalsContact C-N 3.33Å; R630-D632 PolarHBondContact O-N 3.41Å; D632-L634 PolarHBondContact O-N 2.95Å; D632-Q635 PolarHBondContact O-N 3.27Å; D632-Q636 WeakPolarHBondContact O-CG 3.49Å; D632-Q636 PolarHBondContact O-N 3.32Å; D632-Q636 PolarHBondContact OD2-NE2 3.34Å
633	Q	90.7	Very high	90.2	Very high	89 Å²	89	64.3 Å²	64.3	42%	0.416	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-45.5	178.5	-70.3	179.4	-19.1	0	0	112.7	M629 R630 Q635 Q636 E637	M629-Q633 PolarHBondContact O-N 3.31Å; R630-Q633 PolarHBondContact O-N 2.9Å; Q633-Q635 VanDerWaalsContact C-N 3.25Å; Q633-Q635 PolarHBondContact O-N 3.24Å; Q633-Q636 PolarHBondContact O-N 3.31Å; Q633-E637 PolarHBondContact O-N 2.89Å; Q633-E637 VanDerWaalsContact O-N 3.14Å
634	L	92	Very high	90.2	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-36.9	177.8	-70.2	168.6	0	0	0	111.3	F551 I559 L562 I563 H566 R630 D632 E637 L638	F551-L634 HydrophobicContact CD1-CD2 4.24Å; F551-L634 HydrophobicContact CE1-CD2 3.69Å; F551-L634 HydrophobicContact CE1-CG 4.38Å; F551-L634 HydrophobicContact CE2-CD2 4.08Å; F551-L634 HydrophobicContact CZ-CD2 3.61Å; F551-L634 HydrophobicContact CZ-CG 4.32Å; I559-L634 HydrophobicContact CD1-CD2 4Å; L562-L634 HydrophobicContact CB-CD2 3.89Å; I563-L634 HydrophobicContact CG1-CB 3.91Å; I563-L634 HydrophobicContact CG1-CD1 4.47Å; H566-L634 HydrophobicContact CB-CD1 3.93Å; R630-L634 HydrophobicContact CG-CD1 4.28Å; R630-L634 PolarHBondContact O-N 3.44Å; R630-L634 VanDerWaalsContact O-N 3.17Å; D632-L634 PolarHBondContact O-N 2.95Å; L634-E637 PolarHBondContact O-N 3.17Å; L634-L638 PolarHBondContact O-N 3.35Å; L634-L638 VanDerWaalsContact O-N 3.07Å
635	Q	92.4	Very high	90.3	Very high	92 Å²	92	61.4 Å²	61.4	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-68.9	-37.6	177.5	-171.2	58.1	57.5	0	0	112.9	E631 D632 Q633 L638 N639	E631-Q635 PolarHBondContact O-N 3.24Å; D632-Q635 PolarHBondContact O-N 3.27Å; Q633-Q635 VanDerWaalsContact C-N 3.25Å; Q633-Q635 PolarHBondContact O-N 3.24Å; Q635-L638 PolarHBondContact O-N 2.9Å; Q635-N639 PolarHBondContact O-N 3.16Å; Q635-N639 PolarHBondContact O-ND2 2.96Å
636	Q	90.8	Very high	90.4	Very high	117 Å²	117	64 Å²	64	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-44.2	175	-69.6	-178.9	27.2	0	0	111.8	D632 Q633 L638 N639 R640	D632-Q636 WeakPolarHBondContact O-CG 3.49Å; D632-Q636 PolarHBondContact O-N 3.32Å; D632-Q636 PolarHBondContact OD2-NE2 3.34Å; Q633-Q636 PolarHBondContact O-N 3.31Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 3.43Å; Q636-N639 WeakPolarHBondContact O-CB 3.39Å; Q636-N639 PolarHBondContact O-N 2.71Å; Q636-R640 PolarHBondContact O-N 3.04Å; Q636-R640 VanDerWaalsContact O-N 3.13Å
637	E	88.7	Confident	90.5	Very high	30 Å²	30	64.6 Å²	64.6	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-38.6	178.1	-178	62.4	-165.1	0	0	111.9	F551 I559 Q633 L634 N639 R640 Q641	F551-E637 HydrophobicContact CD2-CG 4.48Å; F551-E637 HydrophobicContact CE2-CB 3.71Å; F551-E637 HydrophobicContact CE2-CG 3.75Å; F551-E637 HydrophobicContact CZ-CB 4.23Å; I559-E637 HydrophobicContact CD1-CB 3.94Å; I559-E637 HydrophobicContact CD1-CG 3.88Å; I559-E637 HydrophobicContact CG1-CB 4.45Å; I559-E637 HydrophobicContact CG1-CG 4.29Å; Q633-E637 PolarHBondContact O-N 2.89Å; Q633-E637 VanDerWaalsContact O-N 3.14Å; L634-E637 PolarHBondContact O-N 3.17Å; E637-N639 PolarHBondContact O-N 3.01Å; E637-R640 VanDerWaalsContact CD-NE 3.28Å; E637-R640 WeakPolarHBondContact O-CB 3.45Å; E637-R640 PolarHBondContact O-N 2.86Å; E637-R640 IonicContact OE1-CZ 3.97Å; E637-R640 VanDerWaalsContact OE1-CZ 3.24Å; E637-R640 IonicContact OE1-NE 2.68Å; E637-R640 PolarHBondContact OE1-NE 3.35Å; E637-R640 IonicContact OE1-NH2 3.39Å; E637-R640 PolarHBondContact OE1-NH2 3.08Å; E637-R640 IonicContact OE2-CZ 3.03Å; E637-R640 IonicContact OE2-NE 2.62Å; E637-R640 PolarHBondContact OE2-NE 3.2Å; E637-R640 IonicContact OE2-NH2 2.9Å; E637-Q641 HydrophobicContact CG-CG 4.39Å; E637-Q641 WeakPolarHBondContact O-CG 3.46Å; E637-Q641 PolarHBondContact O-N 3.27Å; E637-Q641 PolarHBondContact OE1-NE2 3.12Å
638	L	92.3	Very high	90.6	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-41.6	174.4	179.8	63.3	0	0	0	111.5	M556 I559 I563 L634 Q635 Q636 Q641 Q642	M556-L638 HydrophobicContact CE-CD1 3.75Å; M556-L638 HydrophobicContact SD-CD1 4.36Å; I559-L638 HydrophobicContact CG1-CB 4.05Å; I559-L638 HydrophobicContact CG1-CD1 4.43Å; I559-L638 HydrophobicContact CG2-CD1 3.67Å; I563-L638 HydrophobicContact CD1-CB 4.38Å; I563-L638 HydrophobicContact CD1-CD2 3.94Å; L634-L638 PolarHBondContact O-N 3.35Å; L634-L638 VanDerWaalsContact O-N 3.07Å; Q635-L638 PolarHBondContact O-N 2.9Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 3.43Å; L638-Q641 PolarHBondContact O-N 3.07Å; L638-Q642 VanDerWaalsContact O-CG 3.31Å; L638-Q642 WeakPolarHBondContact O-CG 3.48Å; L638-Q642 PolarHBondContact O-N 3.38Å; L638-Q642 VanDerWaalsContact O-N 3.07Å
639	N	92	Very high	90.7	Very high	86 Å²	86	69 Å²	69	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-39	176.4	-65.7	-26.9	0	0	0	112	Q635 Q636 E637 Q642 S643	Q635-N639 PolarHBondContact O-N 3.16Å; Q635-N639 PolarHBondContact O-ND2 2.96Å; Q636-N639 WeakPolarHBondContact O-CB 3.39Å; Q636-N639 PolarHBondContact O-N 2.71Å; E637-N639 PolarHBondContact O-N 3.01Å; N639-Q642 PolarHBondContact O-N 3.07Å; N639-S643 PolarHBondContact O-N 3.4Å; N639-S643 VanDerWaalsContact O-N 3.11Å
640	R	88.9	Confident	90.8	Very high	105 Å²	105	66.8 Å²	66.8	40%	0.396	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-48.5	175.8	-168.9	178.5	76.8	112	0.1	111.3	Q636 E637 Q642 S643 N644	Q636-R640 PolarHBondContact O-N 3.04Å; Q636-R640 VanDerWaalsContact O-N 3.13Å; E637-R640 VanDerWaalsContact CD-NE 3.28Å; E637-R640 WeakPolarHBondContact O-CB 3.45Å; E637-R640 PolarHBondContact O-N 2.86Å; E637-R640 IonicContact OE1-CZ 3.97Å; E637-R640 VanDerWaalsContact OE1-CZ 3.24Å; E637-R640 IonicContact OE1-NE 2.68Å; E637-R640 PolarHBondContact OE1-NE 3.35Å; E637-R640 IonicContact OE1-NH2 3.39Å; E637-R640 PolarHBondContact OE1-NH2 3.08Å; E637-R640 IonicContact OE2-CZ 3.03Å; E637-R640 IonicContact OE2-NE 2.62Å; E637-R640 PolarHBondContact OE2-NE 3.2Å; E637-R640 IonicContact OE2-NH2 2.9Å; R640-Q642 VanDerWaalsContact C-N 3.32Å; R640-Q642 PolarHBondContact O-N 3.01Å; R640-S643 WeakPolarHBondContact O-CB 3.49Å; R640-S643 PolarHBondContact O-N 3.26Å; R640-S643 VanDerWaalsContact O-N 3.14Å; R640-N644 PolarHBondContact O-N 3.5Å
641	Q	88.8	Confident	91	Very high	10 Å²	10	66.2 Å²	66.2	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-35.4	179.5	-63.9	-59.8	-23.1	0	0	112.5	V553 M556 I559 E637 L638 N644 D645	V553-Q641 HydrophobicContact CG1-CG 4.2Å; V553-Q641 PolarHBondContact O-NE2 3.08Å; M556-Q641 HydrophobicContact CG-CB 4.36Å; M556-Q641 VanDerWaalsContact SD-C 3.5Å; M556-Q641 HydrophobicContact SD-CB 3.54Å; M556-Q641 VanDerWaalsContact SD-CB 3.54Å; I559-Q641 HydrophobicContact CG2-CB 4.5Å; I559-Q641 HydrophobicContact CG2-CG 4.41Å; E637-Q641 HydrophobicContact CG-CG 4.39Å; E637-Q641 WeakPolarHBondContact O-CG 3.46Å; E637-Q641 PolarHBondContact O-N 3.27Å; E637-Q641 PolarHBondContact OE1-NE2 3.12Å; L638-Q641 PolarHBondContact O-N 3.07Å; Q641-N644 PolarHBondContact O-N 3.2Å; Q641-D645 PolarHBondContact O-N 2.97Å
642	Q	90.8	Very high	91.1	Very high	74 Å²	74	62.1 Å²	62.1	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-39.5	172.9	-73.4	178	8.8	0	0	112.9	M556 L638 N639 R640 R646	M556-Q642 HydrophobicContact CE-CG 3.51Å; M556-Q642 HydrophobicContact SD-CB 4.36Å; M556-Q642 HydrophobicContact SD-CG 3.68Å; M556-Q642 PolarHBondContact SD-N 2.8Å; M556-Q642 VanDerWaalsContact SD-N 3.43Å; L638-Q642 VanDerWaalsContact O-CG 3.31Å; L638-Q642 WeakPolarHBondContact O-CG 3.48Å; L638-Q642 PolarHBondContact O-N 3.38Å; L638-Q642 VanDerWaalsContact O-N 3.07Å; N639-Q642 PolarHBondContact O-N 3.07Å; R640-Q642 VanDerWaalsContact C-N 3.32Å; R640-Q642 PolarHBondContact O-N 3.01Å; Q642-R646 WeakPolarHBondContact O-CG 3.2Å; Q642-R646 PolarHBondContact O-N 3.4Å
643	S	90.3	Very high	91.2	Very high	64 Å²	64	64 Å²	64	45%	0.448	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-43.1	174.6	-171.2	0	0	0	0	111.5	N639 R640 D645 R646 L647	N639-S643 PolarHBondContact O-N 3.4Å; N639-S643 VanDerWaalsContact O-N 3.11Å; R640-S643 WeakPolarHBondContact O-CB 3.49Å; R640-S643 PolarHBondContact O-N 3.26Å; R640-S643 VanDerWaalsContact O-N 3.14Å; S643-D645 PolarHBondContact O-N 2.91Å; S643-R646 WeakPolarHBondContact O-CB 3.41Å; S643-R646 PolarHBondContact O-N 3.2Å; S643-L647 PolarHBondContact O-N 2.98Å; S643-L647 VanDerWaalsContact O-N 3.08Å
644	N	89.2	Confident	91.3	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-60.5	-43.3	177.5	-70.5	-8.6	0	0	0	112.2	R640 Q641 R646 L647 K648 I716	R640-N644 PolarHBondContact O-N 3.5Å; Q641-N644 PolarHBondContact O-N 3.2Å; N644-R646 VanDerWaalsContact C-N 3.32Å; N644-R646 PolarHBondContact O-N 3.18Å; N644-L647 PolarHBondContact O-N 3.43Å; N644-K648 WeakPolarHBondContact O-CG 3.3Å; N644-K648 PolarHBondContact O-N 3.47Å; N644-K648 VanDerWaalsContact O-N 3.08Å; N644-I716 HydrophobicContact CB-CD1 3.6Å; N644-I716 HydrophobicContact CB-CG1 4.46Å
645	D	89.4	Confident	91.4	Very high	42 Å²	42	62.3 Å²	62.3	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.8	-165.1	67	0	0	0	112.1	Q641 S643 K648 R649	Q641-D645 PolarHBondContact O-N 2.97Å; S643-D645 PolarHBondContact O-N 2.91Å; D645-K648 PolarHBondContact O-N 2.88Å; D645-R649 WeakPolarHBondContact O-CG 3.29Å; D645-R649 PolarHBondContact O-N 3.02Å; D645-R649 IonicContact OD2-CZ 2.77Å; D645-R649 VanDerWaalsContact OD2-CZ 3.25Å; D645-R649 IonicContact OD2-NE 3.89Å; D645-R649 PolarHBondContact OD2-NE 3.25Å; D645-R649 IonicContact OD2-NH2 3.27Å; D645-R649 PolarHBondContact OD2-NH2 3.24Å
646	R	91.1	Very high	91.4	Very high	180 Å²	180	61 Å²	61	68%	0.679	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-43.5	175.2	-69.4	176	-172.3	-170.7	4.3	112.1	Q642 S643 N644 R649 L650	Q642-R646 WeakPolarHBondContact O-CG 3.2Å; Q642-R646 PolarHBondContact O-N 3.4Å; S643-R646 WeakPolarHBondContact O-CB 3.41Å; S643-R646 PolarHBondContact O-N 3.2Å; N644-R646 VanDerWaalsContact C-N 3.32Å; N644-R646 PolarHBondContact O-N 3.18Å; R646-R649 PolarHBondContact O-N 3.44Å; R646-L650 PolarHBondContact O-N 3.31Å
647	L	90	Very high	91.5	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-41.7	177.4	-71.8	172.3	0	0	0	111.9	S643 N644 R649 L650 F651 L711 N714	S643-L647 PolarHBondContact O-N 2.98Å; S643-L647 VanDerWaalsContact O-N 3.08Å; N644-L647 PolarHBondContact O-N 3.43Å; L647-R649 VanDerWaalsContact C-N 3.32Å; L647-R649 PolarHBondContact O-N 2.97Å; L647-L650 PolarHBondContact O-N 3.36Å; L647-F651 PolarHBondContact O-N 3.22Å; L647-L711 HydrophobicContact CB-CD2 3.62Å; L647-L711 HydrophobicContact CB-CG 4.45Å; L647-N714 WeakPolarHBondContact CD1-ND2 3.34Å
648	K	91.1	Very high	91.7	Very high	41 Å²	41	58 Å²	58	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-45.6	175.8	-72.1	176.3	179.8	179	0	111.6	N644 D645 A652 L711 I716 E718 N719 F721	N644-K648 WeakPolarHBondContact O-CG 3.3Å; N644-K648 PolarHBondContact O-N 3.47Å; N644-K648 VanDerWaalsContact O-N 3.08Å; D645-K648 PolarHBondContact O-N 2.88Å; K648-A652 PolarHBondContact O-N 3.41Å; K648-L711 HydrophobicContact CG-CD2 4.24Å; K648-I716 HydrophobicContact CD-CG2 4.21Å; K648-I716 HydrophobicContact CG-CG2 3.99Å; K648-E718 WeakPolarHBondContact CE-O 3.41Å; K648-N719 PolarHBondContact O-ND2 3.06Å; K648-F721 HydrophobicContact CB-CD2 4.03Å; K648-F721 HydrophobicContact CB-CE2 4.06Å
649	R	92.8	Very high	91.7	Very high	143 Å²	143	57.1 Å²	57.1	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-42.7	178.5	-65.9	-179.5	-163.3	-155.8	2	112.6	D645 R646 L647 F651 A652 E653 F721	D645-R649 WeakPolarHBondContact O-CG 3.29Å; D645-R649 PolarHBondContact O-N 3.02Å; D645-R649 IonicContact OD2-CZ 2.77Å; D645-R649 VanDerWaalsContact OD2-CZ 3.25Å; D645-R649 IonicContact OD2-NE 3.89Å; D645-R649 PolarHBondContact OD2-NE 3.25Å; D645-R649 IonicContact OD2-NH2 3.27Å; D645-R649 PolarHBondContact OD2-NH2 3.24Å; R646-R649 PolarHBondContact O-N 3.44Å; L647-R649 VanDerWaalsContact C-N 3.32Å; L647-R649 PolarHBondContact O-N 2.97Å; R649-F651 PolarHBondContact O-N 3.42Å; R649-A652 PolarHBondContact O-N 3.3Å; R649-E653 PolarHBondContact O-N 3.08Å; R649-F721 HydrophobicContact CG-CD2 4.02Å; R649-F721 HydrophobicContact CG-CE2 3.82Å; R649-F721 HydrophobicContact CG-CZ 4.17Å
650	L	92.5	Very high	91.7	Very high	70 Å²	70	55.7 Å²	55.7	37%	0.366	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-43.9	179.5	-176.4	67.5	0	0	0	111.7	R646 L647 E653 K654 I707	R646-L650 PolarHBondContact O-N 3.31Å; L647-L650 PolarHBondContact O-N 3.36Å; L650-E653 PolarHBondContact O-N 2.92Å; L650-K654 PolarHBondContact O-N 3.25Å; L650-I707 HydrophobicContact CD2-CD1 4.02Å; L650-I707 HydrophobicContact CD2-CG1 4.24Å; L650-I707 HydrophobicContact CG-CD1 4.02Å
651	F	94	Very high	91.9	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-47.8	174.6	179.7	-89.8	0	0	0	111.3	L647 R649 E653 K654 A655 L704 I707 N708 L711 N719 T722	L647-F651 PolarHBondContact O-N 3.22Å; R649-F651 PolarHBondContact O-N 3.42Å; F651-E653 PolarHBondContact O-N 3.18Å; F651-K654 PolarHBondContact O-N 3.49Å; F651-A655 HydrophobicContact CD1-CB 4.37Å; F651-A655 HydrophobicContact CE1-CB 4.04Å; F651-A655 HydrophobicContact CZ-CB 4.42Å; F651-A655 VanDerWaalsContact O-CB 3.29Å; F651-A655 WeakPolarHBondContact O-CB 3.45Å; F651-A655 PolarHBondContact O-N 3.41Å; F651-L704 HydrophobicContact CD2-CD1 3.56Å; F651-L704 HydrophobicContact CD2-CG 4.21Å; F651-L704 HydrophobicContact CE2-CD1 3.55Å; F651-L704 HydrophobicContact CE2-CD2 4.33Å; F651-L704 HydrophobicContact CE2-CG 3.76Å; F651-L704 HydrophobicContact CG-CD1 4.2Å; F651-L704 HydrophobicContact CZ-CD1 4.22Å; F651-L704 HydrophobicContact CZ-CG 4.43Å; F651-I707 HydrophobicContact CB-CG2 3.82Å; F651-I707 HydrophobicContact CD2-CG2 4.2Å; F651-N708 HydrophobicContact CD2-CB 4.25Å; F651-N708 HydrophobicContact CE2-CB 3.83Å; F651-L711 HydrophobicContact CB-CD1 3.7Å; F651-L711 HydrophobicContact CD1-CD1 4.5Å; F651-L711 HydrophobicContact CD2-CD1 3.99Å; F651-L711 HydrophobicContact CG-CD1 3.8Å; F651-N719 WeakPolarHBondContact CD1-ND2 3.47Å; F651-T722 HydrophobicContact CD1-CG2 4.02Å; F651-T722 HydrophobicContact CE1-CG2 3.97Å
652	A	93.5	Very high	92.1	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-41.2	-177.9	0	0	0	0	0	112.7	K648 R649 K654 A655 N656 F721 T722	K648-A652 PolarHBondContact O-N 3.41Å; R649-A652 PolarHBondContact O-N 3.3Å; A652-K654 PolarHBondContact O-N 2.99Å; A652-A655 PolarHBondContact O-N 3.04Å; A652-N656 WeakPolarHBondContact O-CB 3.41Å; A652-N656 PolarHBondContact O-N 2.76Å; A652-N656 PolarHBondContact O-ND2 2.64Å; A652-N656 VanDerWaalsContact O-ND2 3.11Å; A652-F721 HydrophobicContact CB-CB 3.46Å; A652-F721 VanDerWaalsContact CB-CB 3.46Å; A652-T722 HydrophobicContact CB-CG2 3.95Å
653	E	94.3	Very high	92.1	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	26%	0.264	S	S	*	.	H	α-helix	trans	-58.1	-47.2	176.7	-174	-177.3	169.4	0	0	112	R649 L650 F651 T657	R649-E653 PolarHBondContact O-N 3.08Å; L650-E653 PolarHBondContact O-N 2.92Å; F651-E653 PolarHBondContact O-N 3.18Å; E653-T657 PolarHBondContact O-N 3.43Å; E653-T657 PolarHBondContact O-OG1 3.26Å
654	K	92.3	Very high	92.2	Very high	60 Å²	60	57.1 Å²	57.1	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-46.5	178.7	-70.7	-80	-176.4	160.7	0	111.8	L650 F651 A652 N656 T657 I658 E703 L704 I707	L650-K654 PolarHBondContact O-N 3.25Å; F651-K654 PolarHBondContact O-N 3.49Å; A652-K654 PolarHBondContact O-N 2.99Å; K654-N656 VanDerWaalsContact C-N 3.34Å; K654-N656 PolarHBondContact O-N 3.01Å; K654-T657 WeakPolarHBondContact O-CB 3.42Å; K654-T657 PolarHBondContact O-N 3.11Å; K654-T657 VanDerWaalsContact O-N 3.08Å; K654-I658 WeakPolarHBondContact O-CG1 3.48Å; K654-I658 PolarHBondContact O-N 3.39Å; K654-E703 IonicContact NZ-OE1 3.87Å; K654-E703 PolarHBondContact NZ-OE1 2.96Å; K654-E703 IonicContact NZ-OE2 2.89Å; K654-E703 PolarHBondContact NZ-OE2 3.45Å; K654-L704 HydrophobicContact CB-CD1 3.69Å; K654-I707 HydrophobicContact CG-CD1 4.26Å
655	A	93.4	Very high	92.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-41.8	179.8	0	0	0	0	0	112.1	F651 A652 T657 I658 G659 L704	F651-A655 HydrophobicContact CD1-CB 4.37Å; F651-A655 HydrophobicContact CE1-CB 4.04Å; F651-A655 HydrophobicContact CZ-CB 4.42Å; F651-A655 VanDerWaalsContact O-CB 3.29Å; F651-A655 WeakPolarHBondContact O-CB 3.45Å; F651-A655 PolarHBondContact O-N 3.41Å; A652-A655 PolarHBondContact O-N 3.04Å; A655-T657 PolarHBondContact O-N 3.19Å; A655-I658 PolarHBondContact O-N 3.41Å; A655-G659 PolarHBondContact O-N 3.39Å; A655-L704 HydrophobicContact CB-CD1 4.17Å; A655-L704 HydrophobicContact CB-CD2 4.24Å
656	N	93.6	Very high	92.4	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	28%	0.277	S	S	.	.	H	α-helix	trans	-68.8	-14.2	177.7	-68.9	-21.8	0	0	0	113.5	A652 K654 P660 F721 T722	A652-N656 WeakPolarHBondContact O-CB 3.41Å; A652-N656 PolarHBondContact O-N 2.76Å; A652-N656 PolarHBondContact O-ND2 2.64Å; A652-N656 VanDerWaalsContact O-ND2 3.11Å; K654-N656 VanDerWaalsContact C-N 3.34Å; K654-N656 PolarHBondContact O-N 3.01Å; N656-P660 WeakPolarHBondContact O-CD 3.43Å; N656-P660 VanDerWaalsContact O-CG 3.3Å; N656-P660 WeakPolarHBondContact O-CG 3.47Å; N656-F721 PolarHBondContact ND2-O 3.45Å; N656-T722 WeakPolarHBondContact OD1-CB 3.13Å; N656-T722 PolarHBondContact OD1-OG1 3.25Å
657	T	92.7	Very high	92.3	Very high	81 Å²	81	53.1 Å²	53.1	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-89.9	-42.5	171.5	-53	0	0	0	0	111.1	E653 K654 A655	E653-T657 PolarHBondContact O-N 3.43Å; E653-T657 PolarHBondContact O-OG1 3.26Å; K654-T657 WeakPolarHBondContact O-CB 3.42Å; K654-T657 PolarHBondContact O-N 3.11Å; K654-T657 VanDerWaalsContact O-N 3.08Å; A655-T657 PolarHBondContact O-N 3.19Å
658	I	93.3	Very high	92.1	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-44.5	-176	-64.7	162.6	0	0	0	111.5	K654 A655 F661 L662 Y697 N700 V701 L704 I729	K654-I658 WeakPolarHBondContact O-CG1 3.48Å; K654-I658 PolarHBondContact O-N 3.39Å; A655-I658 PolarHBondContact O-N 3.41Å; I658-F661 WeakPolarHBondContact O-CB 3.49Å; I658-F661 PolarHBondContact O-N 3.16Å; I658-L662 HydrophobicContact CG2-CD1 4.11Å; I658-L662 HydrophobicContact CG2-CG 4.33Å; I658-L662 WeakPolarHBondContact O-CG 3.49Å; I658-L662 PolarHBondContact O-N 3.32Å; I658-L662 VanDerWaalsContact O-N 3.11Å; I658-Y697 HydrophobicContact CG1-CE1 4.09Å; I658-N700 HydrophobicContact CD1-CB 4.37Å; I658-V701 HydrophobicContact CG2-CG2 4.22Å; I658-L704 HydrophobicContact CD1-CB 3.97Å; I658-L704 HydrophobicContact CD1-CD2 3.91Å; I658-L704 HydrophobicContact CD1-CG 4.41Å; I658-I729 HydrophobicContact CG2-CD1 4.32Å; I658-I729 HydrophobicContact CG2-CG2 3.81Å
659	G	91.6	Very high	92	Very high	3 Å²	3	53 Å²	53	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-53.4	-57.5	-178.1	0	0	0	0	0	113.1	A655 F661 L662 E663	A655-G659 PolarHBondContact O-N 3.39Å; G659-F661 VanDerWaalsContact C-N 3.29Å; G659-F661 PolarHBondContact O-N 3.46Å; G659-L662 PolarHBondContact O-N 3.07Å; G659-L662 VanDerWaalsContact O-N 3.12Å; G659-E663 PolarHBondContact O-N 3.41Å
660	P	92.9	Very high	91.6	Very high	56 Å²	56	48.5 Å²	48.5	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-33.2	177.4	-25.7	36	0	0	0	114.2	N656 L662 E663 Q664	N656-P660 WeakPolarHBondContact O-CD 3.43Å; N656-P660 VanDerWaalsContact O-CG 3.3Å; N656-P660 WeakPolarHBondContact O-CG 3.47Å; P660-L662 VanDerWaalsContact C-N 3.33Å; P660-L662 PolarHBondContact O-N 3.31Å; P660-E663 PolarHBondContact O-N 2.8Å; P660-Q664 WeakPolarHBondContact O-CB 3.23Å; P660-Q664 PolarHBondContact O-N 3.36Å
661	F	93.4	Very high	91.1	Very high	33 Å²	33	49 Å²	49	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-43.1	175	170.4	-95.8	0	0	0	111.4	I658 G659 Q664 Q665 Y697	I658-F661 WeakPolarHBondContact O-CB 3.49Å; I658-F661 PolarHBondContact O-N 3.16Å; G659-F661 VanDerWaalsContact C-N 3.29Å; G659-F661 PolarHBondContact O-N 3.46Å; F661-Q664 PolarHBondContact O-N 2.87Å; F661-Q665 HydrophobicContact CD1-CG 4.42Å; F661-Q665 HydrophobicContact CD2-CG 4.32Å; F661-Q665 HydrophobicContact CE1-CG 3.99Å; F661-Q665 HydrophobicContact CE2-CG 3.89Å; F661-Q665 HydrophobicContact CZ-CG 3.71Å; F661-Q665 WeakPolarHBondContact O-CG 3.39Å; F661-Q665 PolarHBondContact O-N 3.46Å; F661-Y697 AromaticContact CD1-CD1 3.67Å; F661-Y697 HydrophobicContact CD1-CD1 3.67Å; F661-Y697 AromaticContact CD1-CE1 3.74Å; F661-Y697 HydrophobicContact CD1-CE1 3.74Å; F661-Y697 HydrophobicContact CD1-CG 4.2Å; F661-Y697 AromaticContact CE1-CD1 3.56Å; F661-Y697 HydrophobicContact CE1-CD1 3.56Å; F661-Y697 HydrophobicContact CE1-CD2 4.26Å; F661-Y697 HydrophobicContact CE1-CE1 4.07Å; F661-Y697 AromaticContact CE1-CG 3.66Å; F661-Y697 HydrophobicContact CE1-CG 3.66Å; F661-Y697 HydrophobicContact CE2-CD2 4.43Å; F661-Y697 HydrophobicContact CG-CD1 4.42Å; F661-Y697 HydrophobicContact CG-CE1 4.09Å; F661-Y697 HydrophobicContact CZ-CD1 4.22Å; F661-Y697 HydrophobicContact CZ-CD2 4.09Å; F661-Y697 AromaticContact CZ-CG 3.89Å; F661-Y697 HydrophobicContact CZ-CG 3.89Å
662	L	92	Very high	90.6	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-44.1	178.7	-61.8	175.7	0	0	0	112.1	I658 G659 P660 Q664 Q665 L666 I729 W733 L736	I658-L662 HydrophobicContact CG2-CD1 4.11Å; I658-L662 HydrophobicContact CG2-CG 4.33Å; I658-L662 WeakPolarHBondContact O-CG 3.49Å; I658-L662 PolarHBondContact O-N 3.32Å; I658-L662 VanDerWaalsContact O-N 3.11Å; G659-L662 PolarHBondContact O-N 3.07Å; G659-L662 VanDerWaalsContact O-N 3.12Å; P660-L662 VanDerWaalsContact C-N 3.33Å; P660-L662 PolarHBondContact O-N 3.31Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 2.99Å; L662-Q665 PolarHBondContact O-N 3.48Å; L662-L666 WeakPolarHBondContact O-CB 3.23Å; L662-L666 PolarHBondContact O-N 2.83Å; L662-I729 HydrophobicContact CD1-CG2 4.1Å; L662-W733 HydrophobicContact CD2-CD2 4.38Å; L662-W733 HydrophobicContact CD2-CE3 3.34Å; L662-W733 HydrophobicContact CD2-CZ3 3.77Å; L662-L736 HydrophobicContact CD2-CD2 4.08Å
663	E	91.2	Very high	89.6	Confident	120 Å²	120	50.8 Å²	50.8	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-42.6	176.1	-66.4	178.6	173.2	0	0	111.5	G659 P660 L666 A667	G659-E663 PolarHBondContact O-N 3.41Å; P660-E663 PolarHBondContact O-N 2.8Å; E663-L666 PolarHBondContact O-N 3.46Å; E663-A667 PolarHBondContact O-N 2.97Å
664	Q	92.9	Very high	88.5	Confident	119 Å²	119	47.5 Å²	47.5	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-64.7	-44.3	178	-171.8	-179.2	10.6	0	0	112.1	P660 F661 L662 L666 A667 N668	P660-Q664 WeakPolarHBondContact O-CB 3.23Å; P660-Q664 PolarHBondContact O-N 3.36Å; F661-Q664 PolarHBondContact O-N 2.87Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 2.99Å; Q664-L666 VanDerWaalsContact C-N 3.32Å; Q664-L666 PolarHBondContact O-N 3.44Å; Q664-A667 PolarHBondContact O-N 2.82Å; Q664-N668 VanDerWaalsContact O-CG 3.3Å; Q664-N668 PolarHBondContact O-N 2.89Å
665	Q	91.9	Very high	87.1	Confident	22 Å²	22	47 Å²	47	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-35.9	177.8	-65.3	-49.8	-31.3	0	0	112	F661 L662 A667 N668 V669 V694 L736	F661-Q665 HydrophobicContact CD1-CG 4.42Å; F661-Q665 HydrophobicContact CD2-CG 4.32Å; F661-Q665 HydrophobicContact CE1-CG 3.99Å; F661-Q665 HydrophobicContact CE2-CG 3.89Å; F661-Q665 HydrophobicContact CZ-CG 3.71Å; F661-Q665 WeakPolarHBondContact O-CG 3.39Å; F661-Q665 PolarHBondContact O-N 3.46Å; L662-Q665 PolarHBondContact O-N 3.48Å; Q665-A667 VanDerWaalsContact C-N 3.31Å; Q665-A667 PolarHBondContact O-N 2.93Å; Q665-N668 WeakPolarHBondContact O-CB 3.4Å; Q665-N668 PolarHBondContact O-N 3.18Å; Q665-N668 PolarHBondContact OE1-ND2 2.81Å; Q665-V669 WeakPolarHBondContact O-CG2 3.48Å; Q665-V669 PolarHBondContact O-N 2.97Å; Q665-V694 HydrophobicContact CG-CG2 4.4Å; Q665-L736 HydrophobicContact CB-CD1 3.96Å; Q665-L736 HydrophobicContact CB-CD2 3.71Å; Q665-L736 HydrophobicContact CB-CG 4.5Å
666	L	90.2	Very high	85.4	Confident	63 Å²	63	49.1 Å²	49.1	33%	0.33	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-41.2	174.6	-168.5	70.5	0	0	0	111.3	L662 E663 Q664 V669 A670 L736 N739	L662-L666 WeakPolarHBondContact O-CB 3.23Å; L662-L666 PolarHBondContact O-N 2.83Å; E663-L666 PolarHBondContact O-N 3.46Å; Q664-L666 VanDerWaalsContact C-N 3.32Å; Q664-L666 PolarHBondContact O-N 3.44Å; L666-V669 PolarHBondContact O-N 3.27Å; L666-A670 PolarHBondContact O-N 3.08Å; L666-A670 VanDerWaalsContact O-N 3.14Å; L666-L736 HydrophobicContact CB-CD1 4.14Å; L666-L736 HydrophobicContact CD1-CB 4.47Å; L666-L736 HydrophobicContact CD1-CD1 4.07Å; L666-N739 HydrophobicContact CD1-CB 4.29Å
667	A	87.8	Confident	83.3	Confident	60 Å²	60	58.1 Å²	58.1	50%	0.496	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-38.2	173.4	0	0	0	0	0	112.6	E663 Q664 Q665 A670 S671	E663-A667 PolarHBondContact O-N 2.97Å; Q664-A667 PolarHBondContact O-N 2.82Å; Q665-A667 VanDerWaalsContact C-N 3.31Å; Q665-A667 PolarHBondContact O-N 2.93Å; A667-A670 PolarHBondContact O-N 3.4Å; A667-S671 PolarHBondContact O-N 3.42Å
668	N	87.8	Confident	81.9	Confident	58 Å²	58	56 Å²	56	31%	0.31	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-43.8	175.6	-69.4	-21	0	0	0	111.9	Q664 Q665 A670 S671 I672 L690	Q664-N668 VanDerWaalsContact O-CG 3.3Å; Q664-N668 PolarHBondContact O-N 2.89Å; Q665-N668 WeakPolarHBondContact O-CB 3.4Å; Q665-N668 PolarHBondContact O-N 3.18Å; Q665-N668 PolarHBondContact OE1-ND2 2.81Å; N668-A670 VanDerWaalsContact C-N 3.35Å; N668-A670 PolarHBondContact O-N 2.98Å; N668-S671 WeakPolarHBondContact O-CB 3.39Å; N668-S671 PolarHBondContact O-N 3.34Å; N668-S671 VanDerWaalsContact O-N 3.15Å; N668-I672 WeakPolarHBondContact O-CG1 3.34Å; N668-I672 PolarHBondContact O-N 2.7Å; N668-L690 HydrophobicContact CB-CD1 3.76Å
669	V	87.8	Confident	81	Confident	3 Å²	3	57 Å²	57	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-47.4	176.3	175.1	0	0	0	0	110.5	Q665 L666 S671 I672 A673 L687 L690 L736 N739 I740	Q665-V669 WeakPolarHBondContact O-CG2 3.48Å; Q665-V669 PolarHBondContact O-N 2.97Å; L666-V669 PolarHBondContact O-N 3.27Å; V669-S671 VanDerWaalsContact C-N 3.28Å; V669-S671 PolarHBondContact O-N 3.26Å; V669-I672 PolarHBondContact O-N 2.93Å; V669-A673 PolarHBondContact O-N 3.11Å; V669-L687 HydrophobicContact CG1-CD2 4.38Å; V669-L690 HydrophobicContact CG2-CD2 3.68Å; V669-L736 HydrophobicContact CG2-CD1 4.04Å; V669-N739 HydrophobicContact CG1-CB 4.24Å; V669-I740 HydrophobicContact CG1-CG1 4.42Å; V669-I740 HydrophobicContact CG2-CD1 4.26Å; V669-I740 HydrophobicContact CG2-CG1 3.43Å; V669-I740 VanDerWaalsContact CG2-CG1 3.43Å
670	A	83.8	Confident	80.1	Confident	49 Å²	49	57.4 Å²	57.4	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-37.2	175.9	0	0	0	0	0	112.4	L666 A667 N668 L674	L666-A670 PolarHBondContact O-N 3.08Å; L666-A670 VanDerWaalsContact O-N 3.14Å; A667-A670 PolarHBondContact O-N 3.4Å; N668-A670 VanDerWaalsContact C-N 3.35Å; N668-A670 PolarHBondContact O-N 2.98Å; A670-L674 WeakPolarHBondContact O-CD1 3.39Å; A670-L674 WeakPolarHBondContact O-CG 3.44Å; A670-L674 PolarHBondContact O-N 3.18Å
671	S	83.1	Confident	79.4	Confident	79 Å²	79	60.2 Å²	60.2	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-67.3	-37.5	176	-175.4	0	0	0	0	112.9	A667 N668 V669	A667-S671 PolarHBondContact O-N 3.42Å; N668-S671 WeakPolarHBondContact O-CB 3.39Å; N668-S671 PolarHBondContact O-N 3.34Å; N668-S671 VanDerWaalsContact O-N 3.15Å; V669-S671 VanDerWaalsContact C-N 3.28Å; V669-S671 PolarHBondContact O-N 3.26Å
672	I	82.7	Confident	79	Confident	23 Å²	23	63.9 Å²	63.9	12%	0.118	36%	0.363	C	S	.	.	H	α-helix	trans	-69.9	-41.7	177.5	-62.9	162.4	0	0	0	109.8	N668 V669 L674 G675 A683 R686 L687 L690 I747	N668-I672 WeakPolarHBondContact O-CG1 3.34Å; N668-I672 PolarHBondContact O-N 2.7Å; V669-I672 PolarHBondContact O-N 2.93Å; I672-L674 PolarHBondContact O-N 3.3Å; I672-G675 PolarHBondContact O-N 2.83Å; I672-A683 HydrophobicContact CG2-CB 4.12Å; I672-R686 HydrophobicContact CD1-CB 4.2Å; I672-L687 HydrophobicContact CB-CD2 4.14Å; I672-L687 HydrophobicContact CB-CG 4.44Å; I672-L687 HydrophobicContact CD1-CD2 3.84Å; I672-L687 HydrophobicContact CD1-CG 4.27Å; I672-L687 HydrophobicContact CG2-CD1 4.14Å; I672-L687 HydrophobicContact CG2-CD2 4.07Å; I672-L687 HydrophobicContact CG2-CG 3.82Å; I672-L690 HydrophobicContact CD1-CD1 4.2Å; I672-I747 HydrophobicContact CG2-CD1 4.32Å
673	A	73.9	Confident	78.5	Confident	27 Å²	27	63.9 Å²	63.9	22%	0.223	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-33.6	177.3	0	0	0	0	0	113.4	V669 G675 T743 R769	V669-A673 PolarHBondContact O-N 3.11Å; A673-G675 PolarHBondContact O-N 3.01Å; A673-T743 HydrophobicContact CB-CG2 3.56Å; A673-R769 PolarHBondContact O-NH2 3.47Å
674	L	70.8	Confident	78.2	Confident	64 Å²	64	59.9 Å²	59.9	34%	0.335	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.7	-177.6	-81.2	162.3	0	0	0	114.8	A670 I672	A670-L674 WeakPolarHBondContact O-CD1 3.39Å; A670-L674 WeakPolarHBondContact O-CG 3.44Å; A670-L674 PolarHBondContact O-N 3.18Å; I672-L674 PolarHBondContact O-N 3.3Å
675	G	62.6	Low	77.9	Confident	48 Å²	48	58.8 Å²	58.8	50%	0.495	34%	0.342	S	S	.	.			trans	78.1	111.8	-177.8	0	0	0	0	0	111.8	I672 A673	I672-G675 PolarHBondContact O-N 2.83Å; A673-G675 PolarHBondContact O-N 3.01Å
676	G	57.5	Low	77.8	Confident	45 Å²	45	62.6 Å²	62.6	46%	0.464	36%	0.355	S	S	.	.			trans	-145.4	152	176.9	0	0	0	0	0	111.4	G678	G676-G678 PolarHBondContact O-N 3.4Å; G676-G678 VanDerWaalsContact O-N 3.12Å
677	R	50.4	Low	77.7	Confident	256 Å²	256	59.6 Å²	59.6	97%	0.966	34%	0.34	S	S	*	.	S	Bend	trans	-24.7	105.2	-172	-73.4	-171.5	179.7	-168.1	-0.3	113.5
678	G	62.5	Low	77.7	Confident	35 Å²	35	58.9 Å²	58.9	36%	0.361	33%	0.329	S	S	.	.	S	Bend	trans	154.9	159.1	177.7	0	0	0	0	0	110.7	G676 Q682	G676-G678 PolarHBondContact O-N 3.4Å; G676-G678 VanDerWaalsContact O-N 3.12Å; G678-Q682 VanDerWaalsContact CA-OE1 3.26Å
679	S	74.2	Confident	77.8	Confident	25 Å²	25	59.2 Å²	59.2	18%	0.175	33%	0.331	C	S	.	.			trans	-69.1	158.6	174.6	64.1	0	0	0	0	111.2	E681 Q682 A683 E762	S679-E681 PolarHBondContact O-N 2.7Å; S679-Q682 WeakPolarHBondContact O-CB 3.41Å; S679-Q682 PolarHBondContact O-N 3.46Å; S679-Q682 WeakPolarHBondContact OG-CG 3.44Å; S679-Q682 PolarHBondContact OG-N 3.11Å; S679-A683 PolarHBondContact O-N 3.22Å; S679-E762 WeakPolarHBondContact CA-OE1 3.49Å; S679-E762 WeakPolarHBondContact CB-OE1 3.39Å
680	L	73	Confident	77.9	Confident	11 Å²	11	60 Å²	60	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-35.8	176	-71.1	168	0	0	0	111.5	A683 L684 I747 Q750 V751 T754 E762 L765	L680-A683 WeakPolarHBondContact O-CB 3.46Å; L680-A683 PolarHBondContact O-N 3.45Å; L680-L684 PolarHBondContact O-N 3.42Å; L680-I747 HydrophobicContact CB-CG2 4.44Å; L680-I747 HydrophobicContact CD2-CG2 4.41Å; L680-I747 WeakPolarHBondContact O-CG2 3.4Å; L680-Q750 HydrophobicContact CD1-CB 4.02Å; L680-Q750 HydrophobicContact CD2-CB 4.28Å; L680-V751 HydrophobicContact CB-CG2 3.64Å; L680-T754 HydrophobicContact CD1-CG2 4Å; L680-E762 PolarHBondContact N-OE1 2.77Å; L680-L765 HydrophobicContact CD1-CD2 3.74Å
681	E	79	Confident	78.2	Confident	114 Å²	114	61.6 Å²	61.6	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-39.3	174.8	-65.3	176.9	159.3	0	0	112.2	S679 L684 Q685 V751	S679-E681 PolarHBondContact O-N 2.7Å; E681-L684 PolarHBondContact O-N 3.21Å; E681-Q685 WeakPolarHBondContact O-CB 3.34Å; E681-Q685 PolarHBondContact O-N 3.32Å; E681-V751 HydrophobicContact CG-CG1 4.26Å; E681-V751 HydrophobicContact CG-CG2 4.4Å
682	Q	83.4	Confident	78.5	Confident	111 Å²	111	65.4 Å²	65.4	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-35.5	173.8	-72.9	172.2	4.1	0	0	112.1	G678 S679 R686	G678-Q682 VanDerWaalsContact CA-OE1 3.26Å; S679-Q682 WeakPolarHBondContact O-CB 3.41Å; S679-Q682 PolarHBondContact O-N 3.46Å; S679-Q682 WeakPolarHBondContact OG-CG 3.44Å; S679-Q682 PolarHBondContact OG-N 3.11Å; Q682-R686 WeakPolarHBondContact O-CB 3.48Å; Q682-R686 VanDerWaalsContact O-CG 3.28Å; Q682-R686 WeakPolarHBondContact O-CG 3.43Å; Q682-R686 PolarHBondContact O-N 2.95Å; Q682-R686 PolarHBondContact O-NE 2.92Å
683	A	82	Confident	78.9	Confident	10 Å²	10	67.6 Å²	67.6	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-42.7	174.5	0	0	0	0	0	111.4	I672 S679 L680 R686 L687 I747	I672-A683 HydrophobicContact CG2-CB 4.12Å; S679-A683 PolarHBondContact O-N 3.22Å; L680-A683 WeakPolarHBondContact O-CB 3.46Å; L680-A683 PolarHBondContact O-N 3.45Å; A683-R686 PolarHBondContact O-N 3.35Å; A683-L687 PolarHBondContact O-N 3.2Å; A683-L687 VanDerWaalsContact O-N 3.11Å; A683-I747 HydrophobicContact CB-CD1 3.85Å
684	L	84.7	Confident	79.6	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-48.6	174.3	-173.6	67.3	0	0	0	111.5	L680 E681 R686 L687 V688 I744 I747 E748	L680-L684 PolarHBondContact O-N 3.42Å; E681-L684 PolarHBondContact O-N 3.21Å; L684-R686 VanDerWaalsContact C-N 3.31Å; L684-R686 PolarHBondContact O-N 3.08Å; L684-L687 PolarHBondContact O-N 3Å; L684-L687 VanDerWaalsContact O-N 3.12Å; L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 3.39Å; L684-I744 HydrophobicContact CD1-CB 4.42Å; L684-I744 HydrophobicContact CD1-CG2 3.85Å; L684-I747 HydrophobicContact CB-CG2 4.08Å; L684-I747 HydrophobicContact CD1-CG2 4.49Å; L684-E748 HydrophobicContact CD1-CG 3.57Å; L684-E748 HydrophobicContact CD2-CG 3.91Å; L684-E748 HydrophobicContact CG-CG 4.42Å
685	Q	87.3	Confident	80.5	Confident	96 Å²	96	67.4 Å²	67.4	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-42.1	178.7	-172.2	57.1	45	0	0	111.8	E681 L687 V688 D689	E681-Q685 WeakPolarHBondContact O-CB 3.34Å; E681-Q685 PolarHBondContact O-N 3.32Å; Q685-L687 VanDerWaalsContact C-N 3.34Å; Q685-L687 PolarHBondContact O-N 3.04Å; Q685-V688 PolarHBondContact O-N 3.42Å; Q685-D689 PolarHBondContact NE2-OD1 3.45Å; Q685-D689 VanDerWaalsContact NE2-OD1 3.16Å; Q685-D689 PolarHBondContact NE2-OD2 3Å; Q685-D689 VanDerWaalsContact O-CG 3.3Å; Q685-D689 PolarHBondContact O-N 2.88Å
686	R	88.5	Confident	81.7	Confident	103 Å²	103	68.9 Å²	68.9	39%	0.389	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-40.2	175.2	-77.5	-176.4	-69.7	-173.9	-1.7	112.7	I672 Q682 A683 L684 D689 L690	I672-R686 HydrophobicContact CD1-CB 4.2Å; Q682-R686 WeakPolarHBondContact O-CB 3.48Å; Q682-R686 VanDerWaalsContact O-CG 3.28Å; Q682-R686 WeakPolarHBondContact O-CG 3.43Å; Q682-R686 PolarHBondContact O-N 2.95Å; Q682-R686 PolarHBondContact O-NE 2.92Å; A683-R686 PolarHBondContact O-N 3.35Å; L684-R686 VanDerWaalsContact C-N 3.31Å; L684-R686 PolarHBondContact O-N 3.08Å; R686-D689 PolarHBondContact O-N 2.97Å; R686-L690 VanDerWaalsContact O-CB 3.31Å; R686-L690 WeakPolarHBondContact O-CB 3.4Å; R686-L690 PolarHBondContact O-N 3.35Å
687	L	88.5	Confident	83.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-39.2	176.5	-73.1	169.5	0	0	0	112.1	V669 I672 A683 L684 Q685 D689 L690 Y691 T743 I744 I747	V669-L687 HydrophobicContact CG1-CD2 4.38Å; I672-L687 HydrophobicContact CB-CD2 4.14Å; I672-L687 HydrophobicContact CB-CG 4.44Å; I672-L687 HydrophobicContact CD1-CD2 3.84Å; I672-L687 HydrophobicContact CD1-CG 4.27Å; I672-L687 HydrophobicContact CG2-CD1 4.14Å; I672-L687 HydrophobicContact CG2-CD2 4.07Å; I672-L687 HydrophobicContact CG2-CG 3.82Å; A683-L687 PolarHBondContact O-N 3.2Å; A683-L687 VanDerWaalsContact O-N 3.11Å; L684-L687 PolarHBondContact O-N 3Å; L684-L687 VanDerWaalsContact O-N 3.12Å; Q685-L687 VanDerWaalsContact C-N 3.34Å; Q685-L687 PolarHBondContact O-N 3.04Å; L687-D689 VanDerWaalsContact C-N 3.34Å; L687-L690 PolarHBondContact O-N 3.43Å; L687-Y691 WeakPolarHBondContact O-CB 3.29Å; L687-Y691 PolarHBondContact O-N 3.38Å; L687-T743 HydrophobicContact CD1-CG2 3.69Å; L687-T743 HydrophobicContact CD2-CG2 4.37Å; L687-I744 HydrophobicContact CB-CD1 4.1Å; L687-I744 HydrophobicContact CB-CG1 3.56Å; L687-I744 HydrophobicContact CD1-CG1 3.94Å; L687-I744 HydrophobicContact CG-CG1 4.34Å; L687-I747 HydrophobicContact CD1-CD1 3.66Å
688	V	88.2	Confident	85.1	Confident	44 Å²	44	60.7 Å²	60.7	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-40.9	175.1	173.2	0	0	0	0	111	L684 Q685 Y691 R692 I744	L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 3.39Å; Q685-V688 PolarHBondContact O-N 3.42Å; V688-Y691 WeakPolarHBondContact O-CB 3.31Å; V688-Y691 PolarHBondContact O-N 3.23Å; V688-R692 WeakPolarHBondContact O-CG 3.49Å; V688-R692 PolarHBondContact O-N 2.59Å; V688-I744 HydrophobicContact CG2-CD1 4.43Å
689	D	89.9	Confident	86.5	Confident	66 Å²	66	63.4 Å²	63.4	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-68.5	-36.9	176.3	-67.7	-27.4	0	0	0	111.9	Q685 R686 L687 R692 T693	Q685-D689 PolarHBondContact NE2-OD1 3.45Å; Q685-D689 VanDerWaalsContact NE2-OD1 3.16Å; Q685-D689 PolarHBondContact NE2-OD2 3Å; Q685-D689 VanDerWaalsContact O-CG 3.3Å; Q685-D689 PolarHBondContact O-N 2.88Å; R686-D689 PolarHBondContact O-N 2.97Å; L687-D689 VanDerWaalsContact C-N 3.34Å; D689-R692 PolarHBondContact O-N 2.89Å; D689-R692 IonicContact OD1-NH1 2.72Å; D689-T693 WeakPolarHBondContact O-CB 3.46Å; D689-T693 PolarHBondContact O-N 3.24Å; D689-T693 PolarHBondContact O-OG1 3.26Å
690	L	90.3	Very high	87.2	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.094	31%	0.313	C	S	.	.	H	α-helix	trans	-66	-41.5	174	-161	143.4	0	0	0	111	N668 V669 I672 R686 L687 R692 T693 V694 I740	N668-L690 HydrophobicContact CB-CD1 3.76Å; V669-L690 HydrophobicContact CG2-CD2 3.68Å; I672-L690 HydrophobicContact CD1-CD1 4.2Å; R686-L690 VanDerWaalsContact O-CB 3.31Å; R686-L690 WeakPolarHBondContact O-CB 3.4Å; R686-L690 PolarHBondContact O-N 3.35Å; L687-L690 PolarHBondContact O-N 3.43Å; L690-R692 PolarHBondContact O-N 2.91Å; L690-T693 WeakPolarHBondContact O-CB 3.37Å; L690-T693 PolarHBondContact O-N 3.48Å; L690-V694 HydrophobicContact CD2-CG2 4.04Å; L690-V694 WeakPolarHBondContact O-CG2 3.42Å; L690-V694 PolarHBondContact O-N 3.01Å; L690-I740 HydrophobicContact CD2-CD1 3.61Å; L690-I740 HydrophobicContact CD2-CG1 4.01Å
691	Y	89.8	Confident	88.1	Confident	83 Å²	83	63.9 Å²	63.9	33%	0.325	31%	0.311	S	S	.	.	H	α-helix	trans	-57.1	-46.9	172.3	-176	-95.7	0	0	0	111.7	L687 V688 T693 V694 Q695 L737 I740	L687-Y691 WeakPolarHBondContact O-CB 3.29Å; L687-Y691 PolarHBondContact O-N 3.38Å; V688-Y691 WeakPolarHBondContact O-CB 3.31Å; V688-Y691 PolarHBondContact O-N 3.23Å; Y691-T693 VanDerWaalsContact C-N 3.32Å; Y691-T693 PolarHBondContact O-N 3.25Å; Y691-V694 PolarHBondContact O-N 3.42Å; Y691-Q695 WeakPolarHBondContact O-CB 3.32Å; Y691-Q695 PolarHBondContact O-N 3.3Å; Y691-L737 HydrophobicContact CD2-CD2 4.13Å; Y691-L737 HydrophobicContact CE2-CD2 3.75Å; Y691-I740 HydrophobicContact CD2-CG2 3.94Å; Y691-I740 HydrophobicContact CG-CG2 4.43Å
692	R	90.2	Very high	88.6	Confident	159 Å²	159	60.9 Å²	60.9	60%	0.6	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-39.5	175.9	-72.4	175.8	-180	170.3	0.3	112.3	V688 D689 L690 Q695 S696	V688-R692 WeakPolarHBondContact O-CG 3.49Å; V688-R692 PolarHBondContact O-N 2.59Å; D689-R692 PolarHBondContact O-N 2.89Å; D689-R692 IonicContact OD1-NH1 2.72Å; L690-R692 PolarHBondContact O-N 2.91Å; R692-Q695 PolarHBondContact O-N 2.94Å; R692-S696 PolarHBondContact O-N 3.32Å
693	T	89.7	Confident	89	Confident	69 Å²	69	59.4 Å²	59.4	42%	0.423	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-48.8	179	-57.8	0	0	0	0	110.6	D689 L690 Y691 Q695 S696 Y697	D689-T693 WeakPolarHBondContact O-CB 3.46Å; D689-T693 PolarHBondContact O-N 3.24Å; D689-T693 PolarHBondContact O-OG1 3.26Å; L690-T693 WeakPolarHBondContact O-CB 3.37Å; L690-T693 PolarHBondContact O-N 3.48Å; Y691-T693 VanDerWaalsContact C-N 3.32Å; Y691-T693 PolarHBondContact O-N 3.25Å; T693-Q695 VanDerWaalsContact C-N 3.33Å; T693-Q695 PolarHBondContact O-N 2.82Å; T693-S696 PolarHBondContact O-N 3.16Å; T693-S696 PolarHBondContact O-OG 3.36Å; T693-Y697 PolarHBondContact O-N 3Å
694	V	89.8	Confident	89.5	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-48.4	174.1	173.4	0	0	0	0	109.3	Q665 L690 Y691 S696 Y697 K698 W733 L736 L737 I740	Q665-V694 HydrophobicContact CG-CG2 4.4Å; L690-V694 HydrophobicContact CD2-CG2 4.04Å; L690-V694 WeakPolarHBondContact O-CG2 3.42Å; L690-V694 PolarHBondContact O-N 3.01Å; Y691-V694 PolarHBondContact O-N 3.42Å; V694-S696 VanDerWaalsContact C-N 3.27Å; V694-S696 PolarHBondContact O-N 3.47Å; V694-Y697 WeakPolarHBondContact O-CB 3.41Å; V694-Y697 PolarHBondContact O-N 3.23Å; V694-K698 PolarHBondContact O-N 2.91Å; V694-W733 HydrophobicContact CG1-CH2 3.67Å; V694-W733 HydrophobicContact CG1-CZ2 3.64Å; V694-W733 HydrophobicContact CG1-CZ3 4.14Å; V694-W733 WeakPolarHBondContact O-CH2 3.35Å; V694-W733 WeakPolarHBondContact O-CZ2 3.49Å; V694-L736 HydrophobicContact CG1-CD2 4.03Å; V694-L736 HydrophobicContact CG2-CD2 3.77Å; V694-L736 HydrophobicContact CG2-CG 4.43Å; V694-L737 HydrophobicContact CG1-CD2 4.09Å; V694-I740 HydrophobicContact CG2-CD1 4.06Å
695	Q	88.2	Confident	89.8	Confident	87 Å²	87	61.5 Å²	61.5	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-33.2	-179.6	-160.2	66.3	2.2	0	0	113.7	Y691 R692 T693 Y697 K698	Y691-Q695 WeakPolarHBondContact O-CB 3.32Å; Y691-Q695 PolarHBondContact O-N 3.3Å; R692-Q695 PolarHBondContact O-N 2.94Å; T693-Q695 VanDerWaalsContact C-N 3.33Å; T693-Q695 PolarHBondContact O-N 2.82Å; Q695-Y697 VanDerWaalsContact C-N 3.32Å; Q695-K698 VanDerWaalsContact O-CB 3.25Å; Q695-K698 WeakPolarHBondContact O-CB 3.48Å; Q695-K698 PolarHBondContact O-N 3.05Å
696	S	88.9	Confident	90	Very high	80 Å²	80	65.4 Å²	65.4	56%	0.559	31%	0.31	S	S	*	.	H	α-helix	trans	-70.8	-28.5	175.8	73	0	0	0	0	113.1	R692 T693 V694 K698 T699	R692-S696 PolarHBondContact O-N 3.32Å; T693-S696 PolarHBondContact O-N 3.16Å; T693-S696 PolarHBondContact O-OG 3.36Å; V694-S696 VanDerWaalsContact C-N 3.27Å; V694-S696 PolarHBondContact O-N 3.47Å; S696-K698 PolarHBondContact O-N 2.89Å; S696-T699 PolarHBondContact O-OG1 3.43Å
697	Y	90.6	Very high	90.1	Very high	54 Å²	54	61 Å²	61	21%	0.212	29%	0.293	C	S	.	.	H	α-helix	trans	-75.7	-7.8	177.1	-145.8	-101.5	0	0	0	113.5	I658 F661 T693 V694 Q695 T699 N700	I658-Y697 HydrophobicContact CG1-CE1 4.09Å; F661-Y697 AromaticContact CD1-CD1 3.67Å; F661-Y697 HydrophobicContact CD1-CD1 3.67Å; F661-Y697 AromaticContact CD1-CE1 3.74Å; F661-Y697 HydrophobicContact CD1-CE1 3.74Å; F661-Y697 HydrophobicContact CD1-CG 4.2Å; F661-Y697 AromaticContact CE1-CD1 3.56Å; F661-Y697 HydrophobicContact CE1-CD1 3.56Å; F661-Y697 HydrophobicContact CE1-CD2 4.26Å; F661-Y697 HydrophobicContact CE1-CE1 4.07Å; F661-Y697 AromaticContact CE1-CG 3.66Å; F661-Y697 HydrophobicContact CE1-CG 3.66Å; F661-Y697 HydrophobicContact CE2-CD2 4.43Å; F661-Y697 HydrophobicContact CG-CD1 4.42Å; F661-Y697 HydrophobicContact CG-CE1 4.09Å; F661-Y697 HydrophobicContact CZ-CD1 4.22Å; F661-Y697 HydrophobicContact CZ-CD2 4.09Å; F661-Y697 AromaticContact CZ-CG 3.89Å; F661-Y697 HydrophobicContact CZ-CG 3.89Å; T693-Y697 PolarHBondContact O-N 3Å; V694-Y697 WeakPolarHBondContact O-CB 3.41Å; V694-Y697 PolarHBondContact O-N 3.23Å; Q695-Y697 VanDerWaalsContact C-N 3.32Å; Y697-T699 PolarHBondContact O-N 2.99Å; Y697-N700 HydrophobicContact CD1-CB 4.15Å; Y697-N700 VanDerWaalsContact CD2-ND2 3.3Å; Y697-N700 WeakPolarHBondContact CD2-ND2 3.45Å; Y697-N700 HydrophobicContact CE1-CB 4.04Å; Y697-N700 WeakPolarHBondContact CE2-ND2 3.49Å; Y697-N700 VanDerWaalsContact CZ-ND2 3.33Å; Y697-N700 WeakPolarHBondContact O-CB 3.35Å; Y697-N700 PolarHBondContact O-N 2.93Å; Y697-N700 VanDerWaalsContact O-N 3.08Å
698	K	89.2	Confident	90.3	Very high	75 Å²	75	62.5 Å²	62.5	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-56.6	-34.5	179.6	178.4	160.1	172.4	45	0	112.8	V694 Q695 S696 N700 V701 D702 W733	V694-K698 PolarHBondContact O-N 2.91Å; Q695-K698 VanDerWaalsContact O-CB 3.25Å; Q695-K698 WeakPolarHBondContact O-CB 3.48Å; Q695-K698 PolarHBondContact O-N 3.05Å; S696-K698 PolarHBondContact O-N 2.89Å; K698-N700 PolarHBondContact O-N 3.43Å; K698-V701 WeakPolarHBondContact O-CB 3.45Å; K698-V701 PolarHBondContact O-N 2.63Å; K698-V701 VanDerWaalsContact O-N 3.07Å; K698-D702 IonicContact NZ-OD1 3.1Å; K698-D702 PolarHBondContact NZ-OD1 2.92Å; K698-D702 IonicContact NZ-OD2 3.33Å; K698-D702 VanDerWaalsContact O-CG 3.23Å; K698-D702 PolarHBondContact O-N 2.67Å; K698-W733 HydrophobicContact CB-CH2 4.2Å; K698-W733 HydrophobicContact CB-CZ2 3.93Å
699	T	90.7	Very high	90.3	Very high	91 Å²	91	65.2 Å²	65.2	56%	0.558	31%	0.311	S	S	*	.	H	α-helix	trans	-59.8	-33.1	178.3	50.8	0	0	0	0	113	S696 Y697 D702 E703	S696-T699 PolarHBondContact O-OG1 3.43Å; Y697-T699 PolarHBondContact O-N 2.99Å; T699-D702 PolarHBondContact O-N 3.34Å; T699-E703 PolarHBondContact O-N 3.43Å
700	N	90.2	Very high	90.3	Very high	43 Å²	43	66.4 Å²	66.4	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-71.9	-34.7	177.1	-64.3	-38	0	0	0	111.7	I658 Y697 K698 E703 L704	I658-N700 HydrophobicContact CD1-CB 4.37Å; Y697-N700 HydrophobicContact CD1-CB 4.15Å; Y697-N700 VanDerWaalsContact CD2-ND2 3.3Å; Y697-N700 WeakPolarHBondContact CD2-ND2 3.45Å; Y697-N700 HydrophobicContact CE1-CB 4.04Å; Y697-N700 WeakPolarHBondContact CE2-ND2 3.49Å; Y697-N700 VanDerWaalsContact CZ-ND2 3.33Å; Y697-N700 WeakPolarHBondContact O-CB 3.35Å; Y697-N700 PolarHBondContact O-N 2.93Å; Y697-N700 VanDerWaalsContact O-N 3.08Å; K698-N700 PolarHBondContact O-N 3.43Å; N700-E703 PolarHBondContact O-N 3.29Å; N700-L704 PolarHBondContact O-N 2.8Å
701	V	90.1	Very high	90.2	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-41.9	173.4	-177.3	0	0	0	0	110.2	I658 K698 E703 L704 E705 M726 I729 F730 W733	I658-V701 HydrophobicContact CG2-CG2 4.22Å; K698-V701 WeakPolarHBondContact O-CB 3.45Å; K698-V701 PolarHBondContact O-N 2.63Å; K698-V701 VanDerWaalsContact O-N 3.07Å; V701-E703 VanDerWaalsContact C-N 3.32Å; V701-E703 PolarHBondContact O-N 2.94Å; V701-L704 WeakPolarHBondContact O-CB 3.48Å; V701-L704 PolarHBondContact O-N 2.92Å; V701-E705 PolarHBondContact O-N 3.01Å; V701-M726 HydrophobicContact CG1-CE 4.17Å; V701-I729 HydrophobicContact CG1-CG2 4.39Å; V701-F730 HydrophobicContact CG1-CE1 4.16Å; V701-W733 HydrophobicContact CG2-CD2 4.43Å; V701-W733 HydrophobicContact CG2-CE3 3.73Å; V701-W733 HydrophobicContact CG2-CH2 4.36Å; V701-W733 HydrophobicContact CG2-CZ3 3.71Å
702	D	90.1	Very high	90.1	Very high	51 Å²	51	67.8 Å²	67.8	27%	0.273	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-34.2	176.6	-57.2	-22.4	0	0	0	111.6	K698 T699 R706	K698-D702 IonicContact NZ-OD1 3.1Å; K698-D702 PolarHBondContact NZ-OD1 2.92Å; K698-D702 IonicContact NZ-OD2 3.33Å; K698-D702 VanDerWaalsContact O-CG 3.23Å; K698-D702 PolarHBondContact O-N 2.67Å; T699-D702 PolarHBondContact O-N 3.34Å; D702-R706 WeakPolarHBondContact O-CG 3.01Å; D702-R706 PolarHBondContact O-N 3.46Å
703	E	91.2	Very high	90	Very high	81 Å²	81	65.9 Å²	65.9	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-43.5	172.6	-169.5	-173.3	-171.6	0	0	111.6	K654 T699 N700 V701 E705 R706 I707	K654-E703 IonicContact NZ-OE1 3.87Å; K654-E703 PolarHBondContact NZ-OE1 2.96Å; K654-E703 IonicContact NZ-OE2 2.89Å; K654-E703 PolarHBondContact NZ-OE2 3.45Å; T699-E703 PolarHBondContact O-N 3.43Å; N700-E703 PolarHBondContact O-N 3.29Å; V701-E703 VanDerWaalsContact C-N 3.32Å; V701-E703 PolarHBondContact O-N 2.94Å; E703-E705 VanDerWaalsContact C-N 3.29Å; E703-E705 PolarHBondContact O-N 3.33Å; E703-R706 WeakPolarHBondContact O-CB 3.4Å; E703-R706 PolarHBondContact O-N 3.44Å; E703-I707 WeakPolarHBondContact O-CG1 2.99Å; E703-I707 PolarHBondContact O-N 3.5Å; E703-I707 VanDerWaalsContact O-N 3.14Å
704	L	92.9	Very high	89.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-39.6	175.5	-173.8	70.3	0	0	0	111.4	F651 K654 A655 I658 N700 V701 R706 I707 N708 M726 I729	F651-L704 HydrophobicContact CD2-CD1 3.56Å; F651-L704 HydrophobicContact CD2-CG 4.21Å; F651-L704 HydrophobicContact CE2-CD1 3.55Å; F651-L704 HydrophobicContact CE2-CD2 4.33Å; F651-L704 HydrophobicContact CE2-CG 3.76Å; F651-L704 HydrophobicContact CG-CD1 4.2Å; F651-L704 HydrophobicContact CZ-CD1 4.22Å; F651-L704 HydrophobicContact CZ-CG 4.43Å; K654-L704 HydrophobicContact CB-CD1 3.69Å; A655-L704 HydrophobicContact CB-CD1 4.17Å; A655-L704 HydrophobicContact CB-CD2 4.24Å; I658-L704 HydrophobicContact CD1-CB 3.97Å; I658-L704 HydrophobicContact CD1-CD2 3.91Å; I658-L704 HydrophobicContact CD1-CG 4.41Å; N700-L704 PolarHBondContact O-N 2.8Å; V701-L704 WeakPolarHBondContact O-CB 3.48Å; V701-L704 PolarHBondContact O-N 2.92Å; L704-R706 VanDerWaalsContact C-N 3.34Å; L704-R706 PolarHBondContact O-N 3.29Å; L704-I707 PolarHBondContact O-N 3.01Å; L704-N708 PolarHBondContact O-N 3.47Å; L704-M726 HydrophobicContact CD2-SD 3.97Å; L704-M726 HydrophobicContact CG-SD 4.02Å; L704-I729 HydrophobicContact CD2-CG1 4.24Å; L704-I729 HydrophobicContact CD2-CG2 4.35Å
705	E	91.4	Very high	89.5	Confident	88 Å²	88	74.8 Å²	74.8	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175.7	-169.2	177.1	-169.3	0	0	111.8	V701 E703 I707 N708 Q709 M726 F730	V701-E705 PolarHBondContact O-N 3.01Å; E703-E705 VanDerWaalsContact C-N 3.29Å; E703-E705 PolarHBondContact O-N 3.33Å; E705-I707 PolarHBondContact O-N 3.14Å; E705-N708 WeakPolarHBondContact O-CB 3.3Å; E705-N708 PolarHBondContact O-N 3.39Å; E705-Q709 PolarHBondContact O-N 3.03Å; E705-M726 HydrophobicContact CB-CE 3.62Å; E705-M726 HydrophobicContact CG-CE 4.09Å; E705-F730 HydrophobicContact CG-CZ 4.32Å
706	R	91.7	Very high	89.2	Confident	179 Å²	179	71.6 Å²	71.6	68%	0.675	34%	0.339	S	S	*	.	H	α-helix	trans	-62.9	-40.9	175.9	-71.4	176.9	-178.9	174.8	2	112.4	D702 E703 L704 N708 Q709 Q710	D702-R706 WeakPolarHBondContact O-CG 3.01Å; D702-R706 PolarHBondContact O-N 3.46Å; E703-R706 WeakPolarHBondContact O-CB 3.4Å; E703-R706 PolarHBondContact O-N 3.44Å; L704-R706 VanDerWaalsContact C-N 3.34Å; L704-R706 PolarHBondContact O-N 3.29Å; R706-N708 VanDerWaalsContact C-N 3.34Å; R706-Q709 WeakPolarHBondContact O-CB 3.3Å; R706-Q709 PolarHBondContact O-N 3.09Å; R706-Q710 WeakPolarHBondContact O-CG 3.42Å; R706-Q710 PolarHBondContact O-N 2.76Å
707	I	91.3	Very high	88.6	Confident	10 Å²	10	74 Å²	74	5%	0.051	35%	0.354	C	S	.	.	H	α-helix	trans	-65.5	-41.8	176.4	-61.8	162.5	0	0	0	109.8	L650 F651 K654 E703 L704 E705 Q709 Q710 L711	L650-I707 HydrophobicContact CD2-CD1 4.02Å; L650-I707 HydrophobicContact CD2-CG1 4.24Å; L650-I707 HydrophobicContact CG-CD1 4.02Å; F651-I707 HydrophobicContact CB-CG2 3.82Å; F651-I707 HydrophobicContact CD2-CG2 4.2Å; K654-I707 HydrophobicContact CG-CD1 4.26Å; E703-I707 WeakPolarHBondContact O-CG1 2.99Å; E703-I707 PolarHBondContact O-N 3.5Å; E703-I707 VanDerWaalsContact O-N 3.14Å; L704-I707 PolarHBondContact O-N 3.01Å; E705-I707 PolarHBondContact O-N 3.14Å; I707-Q709 VanDerWaalsContact C-N 3.31Å; I707-Q709 PolarHBondContact O-N 3.2Å; I707-Q710 WeakPolarHBondContact O-CB 3.31Å; I707-Q710 PolarHBondContact O-N 3.41Å; I707-L711 PolarHBondContact O-N 3.43Å
708	N	91.1	Very high	88.1	Confident	32 Å²	32	79 Å²	79	17%	0.171	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-39.6	175.6	-170.6	63.7	0	0	0	112.1	F651 L704 E705 R706 Q710 L711 Q712 M726	F651-N708 HydrophobicContact CD2-CB 4.25Å; F651-N708 HydrophobicContact CE2-CB 3.83Å; L704-N708 PolarHBondContact O-N 3.47Å; E705-N708 WeakPolarHBondContact O-CB 3.3Å; E705-N708 PolarHBondContact O-N 3.39Å; R706-N708 VanDerWaalsContact C-N 3.34Å; N708-Q710 VanDerWaalsContact C-N 3.35Å; N708-Q710 PolarHBondContact O-N 3.25Å; N708-L711 WeakPolarHBondContact O-CB 3.46Å; N708-L711 PolarHBondContact O-N 2.8Å; N708-Q712 PolarHBondContact ND2-NE2 3.36Å; N708-Q712 WeakPolarHBondContact O-CG 3.37Å; N708-Q712 PolarHBondContact O-N 3.13Å; N708-M726 HydrophobicContact CB-CG 4.48Å; N708-M726 HydrophobicContact CB-SD 4.47Å
709	Q	89.8	Confident	88	Confident	101 Å²	101	77 Å²	77	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-44.2	174.3	-174.7	-178.6	-3.6	0	0	111.2	E705 R706 I707 L711 Q712 E713	E705-Q709 PolarHBondContact O-N 3.03Å; R706-Q709 WeakPolarHBondContact O-CB 3.3Å; R706-Q709 PolarHBondContact O-N 3.09Å; I707-Q709 VanDerWaalsContact C-N 3.31Å; I707-Q709 PolarHBondContact O-N 3.2Å; Q709-L711 VanDerWaalsContact C-N 3.3Å; Q709-L711 PolarHBondContact O-N 2.97Å; Q709-Q712 PolarHBondContact O-N 3.01Å; Q709-E713 HydrophobicContact CG-CG 4.44Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.23Å; Q709-E713 PolarHBondContact NE2-OE1 3.11Å; Q709-E713 WeakPolarHBondContact O-CB 2.93Å; Q709-E713 WeakPolarHBondContact O-CG 3.34Å; Q709-E713 PolarHBondContact O-N 3.06Å
710	Q	89.3	Confident	87.8	Confident	91 Å²	91	77.7 Å²	77.7	43%	0.425	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-36.3	175	-70	178.5	-7.6	0	0	112.5	R706 I707 N708 N714	R706-Q710 WeakPolarHBondContact O-CG 3.42Å; R706-Q710 PolarHBondContact O-N 2.76Å; I707-Q710 WeakPolarHBondContact O-CB 3.31Å; I707-Q710 PolarHBondContact O-N 3.41Å; N708-Q710 VanDerWaalsContact C-N 3.35Å; N708-Q710 PolarHBondContact O-N 3.25Å; Q710-N714 WeakPolarHBondContact O-CB 3.48Å; Q710-N714 PolarHBondContact O-N 3.07Å; Q710-N714 VanDerWaalsContact O-N 3.12Å; Q710-N714 PolarHBondContact O-ND2 3.25Å
711	L	88.9	Confident	87.8	Confident	7 Å²	7	79.9 Å²	79.9	4%	0.037	39%	0.386	C	S	.	.	H	α-helix	trans	-63.3	-43.8	173.5	-72.6	172.8	0	0	0	111.4	L647 K648 F651 I707 N708 Q709 N714 Y715 I716	L647-L711 HydrophobicContact CB-CD2 3.62Å; L647-L711 HydrophobicContact CB-CG 4.45Å; K648-L711 HydrophobicContact CG-CD2 4.24Å; F651-L711 HydrophobicContact CB-CD1 3.7Å; F651-L711 HydrophobicContact CD1-CD1 4.5Å; F651-L711 HydrophobicContact CD2-CD1 3.99Å; F651-L711 HydrophobicContact CG-CD1 3.8Å; I707-L711 PolarHBondContact O-N 3.43Å; N708-L711 WeakPolarHBondContact O-CB 3.46Å; N708-L711 PolarHBondContact O-N 2.8Å; Q709-L711 VanDerWaalsContact C-N 3.3Å; Q709-L711 PolarHBondContact O-N 2.97Å; L711-N714 CarbonylContact O-C 3.59Å; L711-N714 PolarHBondContact O-N 3.46Å; L711-Y715 PolarHBondContact O-N 3.16Å; L711-I716 HydrophobicContact CB-CB 4.41Å; L711-I716 HydrophobicContact CD2-CB 4.17Å; L711-I716 HydrophobicContact CD2-CD1 3.67Å; L711-I716 HydrophobicContact CD2-CG2 4.12Å; L711-I716 WeakPolarHBondContact O-CB 3.21Å; L711-I716 PolarHBondContact O-N 2.89Å
712	Q	87.9	Confident	87.8	Confident	123 Å²	123	80.8 Å²	80.8	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-66.4	-41.4	178.3	-71.2	177.7	-14.4	0	0	112.5	N708 Q709 N714 Y715	N708-Q712 PolarHBondContact ND2-NE2 3.36Å; N708-Q712 WeakPolarHBondContact O-CG 3.37Å; N708-Q712 PolarHBondContact O-N 3.13Å; Q709-Q712 PolarHBondContact O-N 3.01Å; Q712-N714 PolarHBondContact O-N 3.25Å; Q712-Y715 PolarHBondContact O-N 3.32Å
713	E	87.6	Confident	87.9	Confident	118 Å²	118	85 Å²	85	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-30.2	174.9	-73.7	173.4	-174.2	0	0	111.9	Q709 Y715	Q709-E713 HydrophobicContact CG-CG 4.44Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.23Å; Q709-E713 PolarHBondContact NE2-OE1 3.11Å; Q709-E713 WeakPolarHBondContact O-CB 2.93Å; Q709-E713 WeakPolarHBondContact O-CG 3.34Å; Q709-E713 PolarHBondContact O-N 3.06Å; E713-Y715 VanDerWaalsContact C-N 3.3Å
714	N	84.2	Confident	87.8	Confident	53 Å²	53	82.5 Å²	82.5	28%	0.283	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	9.1	173.1	-71.6	-58.6	0	0	0	113.9	L647 Q710 L711 Q712 I716	L647-N714 WeakPolarHBondContact CD1-ND2 3.34Å; Q710-N714 WeakPolarHBondContact O-CB 3.48Å; Q710-N714 PolarHBondContact O-N 3.07Å; Q710-N714 VanDerWaalsContact O-N 3.12Å; Q710-N714 PolarHBondContact O-ND2 3.25Å; L711-N714 CarbonylContact O-C 3.59Å; L711-N714 PolarHBondContact O-N 3.46Å; Q712-N714 PolarHBondContact O-N 3.25Å; N714-I716 VanDerWaalsContact C-N 3.27Å; N714-I716 HydrophobicContact CB-CD1 3.91Å; N714-I716 HydrophobicContact CB-CG1 4.15Å; N714-I716 PolarHBondContact O-N 3.47Å
715	Y	83.7	Confident	87.8	Confident	203 Å²	203	86 Å²	86	80%	0.796	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	34.4	-179.4	-55	-84.2	0	0	0	114.1	L711 Q712 E713	L711-Y715 PolarHBondContact O-N 3.16Å; Q712-Y715 PolarHBondContact O-N 3.32Å; E713-Y715 VanDerWaalsContact C-N 3.3Å
716	I	81.8	Confident	87.7	Confident	21 Å²	21	82.5 Å²	82.5	11%	0.108	40%	0.401	C	S	.	.			trans	-96.9	108.5	177.6	-58.5	165.2	0	0	0	109.3	N644 K648 L711 N714	N644-I716 HydrophobicContact CB-CD1 3.6Å; N644-I716 HydrophobicContact CB-CG1 4.46Å; K648-I716 HydrophobicContact CD-CG2 4.21Å; K648-I716 HydrophobicContact CG-CG2 3.99Å; L711-I716 HydrophobicContact CB-CB 4.41Å; L711-I716 HydrophobicContact CD2-CB 4.17Å; L711-I716 HydrophobicContact CD2-CD1 3.67Å; L711-I716 HydrophobicContact CD2-CG2 4.12Å; L711-I716 WeakPolarHBondContact O-CB 3.21Å; L711-I716 PolarHBondContact O-N 2.89Å; N714-I716 VanDerWaalsContact C-N 3.27Å; N714-I716 HydrophobicContact CB-CD1 3.91Å; N714-I716 HydrophobicContact CB-CG1 4.15Å; N714-I716 PolarHBondContact O-N 3.47Å
717	C	77.2	Confident	87.5	Confident	130 Å²	130	81 Å²	81	88%	0.878	40%	0.402	S	S	*	.			trans	-98.1	-16.9	-178.7	-58.9	0	0	0	0	113.9
718	E	80	Confident	87.5	Confident	158 Å²	158	83.8 Å²	83.8	74%	0.738	42%	0.42	S	S	*	.			trans	-123.6	131.9	-172.2	-64.3	-175.9	177.5	0	0	111.7	K648	K648-E718 WeakPolarHBondContact CE-O 3.41Å
719	N	86.4	Confident	87.6	Confident	35 Å²	35	82.4 Å²	82.4	19%	0.187	41%	0.412	C	S	.	.			trans	-127.7	104.3	176.1	-167.3	-17.2	0	0	0	110.9	K648 F651 F721	K648-N719 PolarHBondContact O-ND2 3.06Å; F651-N719 WeakPolarHBondContact CD1-ND2 3.47Å; N719-F721 PolarHBondContact O-N 3.23Å; N719-F721 WeakPolarHBondContact OD1-CB 3.5Å; N719-F721 WeakPolarHBondContact OD1-CD2 3.41Å; N719-F721 PolarHBondContact OD1-N 3.25Å; N719-F721 VanDerWaalsContact OD1-N 3.09Å
720	P	87	Confident	87.6	Confident	105 Å²	105	81 Å²	81	68%	0.682	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6	-178.5	30.8	-35.2	0	0	0	114
721	F	89.9	Confident	87.7	Confident	89 Å²	89	80.5 Å²	80.5	39%	0.39	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.3	-173	-56	-67.8	0	0	0	114.2	K648 R649 A652 N656 N719	K648-F721 HydrophobicContact CB-CD2 4.03Å; K648-F721 HydrophobicContact CB-CE2 4.06Å; R649-F721 HydrophobicContact CG-CD2 4.02Å; R649-F721 HydrophobicContact CG-CE2 3.82Å; R649-F721 HydrophobicContact CG-CZ 4.17Å; A652-F721 HydrophobicContact CB-CB 3.46Å; A652-F721 VanDerWaalsContact CB-CB 3.46Å; N656-F721 PolarHBondContact ND2-O 3.45Å; N719-F721 PolarHBondContact O-N 3.23Å; N719-F721 WeakPolarHBondContact OD1-CB 3.5Å; N719-F721 WeakPolarHBondContact OD1-CD2 3.41Å; N719-F721 PolarHBondContact OD1-N 3.25Å; N719-F721 VanDerWaalsContact OD1-N 3.09Å
722	T	91.5	Very high	87.7	Confident	22 Å²	22	81.5 Å²	81.5	14%	0.135	42%	0.42	C	S	.	.			trans	-150.3	148.1	177.1	-175.4	0	0	0	0	111.3	F651 A652 N656 Y724	F651-T722 HydrophobicContact CD1-CG2 4.02Å; F651-T722 HydrophobicContact CE1-CG2 3.97Å; A652-T722 HydrophobicContact CB-CG2 3.95Å; N656-T722 WeakPolarHBondContact OD1-CB 3.13Å; N656-T722 PolarHBondContact OD1-OG1 3.25Å; T722-Y724 WeakPolarHBondContact CG2-O 3.39Å; T722-Y724 PolarHBondContact OG1-N 2.82Å; T722-Y724 VanDerWaalsContact OG1-N 3.11Å
723	H	90.9	Very high	87.8	Confident	138 Å²	138	76.5 Å²	76.5	64%	0.639	40%	0.396	S	S	*	.	S	Bend	trans	-89.6	-9.7	169.7	61.5	-76.2	0	0	0	112.9
724	Y	90.4	Very high	87.8	Confident	30 Å²	30	77 Å²	77	12%	0.118	40%	0.398	C	S	.	.			trans	-84.6	121.5	177.7	-64	-69.5	0	0	0	110.5	T722 I729	T722-Y724 WeakPolarHBondContact CG2-O 3.39Å; T722-Y724 PolarHBondContact OG1-N 2.82Å; T722-Y724 VanDerWaalsContact OG1-N 3.11Å; Y724-I729 HydrophobicContact CD1-CD1 4.08Å; Y724-I729 HydrophobicContact CG-CD1 4.16Å
725	T	91	Very high	88.1	Confident	73 Å²	73	77.4 Å²	77.4	45%	0.448	40%	0.403	S	S	.	.			trans	-93.4	159.7	167.7	71.1	0	0	0	0	110.1	E727 T728 I729	T725-E727 PolarHBondContact O-N 3.03Å; T725-E727 VanDerWaalsContact O-N 3.16Å; T725-T728 PolarHBondContact N-OG1 3.18Å; T725-T728 PolarHBondContact O-N 3.31Å; T725-T728 VanDerWaalsContact O-N 3.07Å; T725-T728 PolarHBondContact O-OG1 3.5Å; T725-T728 WeakPolarHBondContact OG1-CG2 3.42Å; T725-T728 PolarHBondContact OG1-N 3.13Å; T725-I729 PolarHBondContact O-N 3.36Å
726	M	90.2	Very high	88.4	Confident	14 Å²	14	67.8 Å²	67.8	7%	0.069	37%	0.365	C	S	.	.	H	α-helix	trans	-55.3	-35.1	175.8	-167.8	65.8	-160.9	0	0	112.1	V701 L704 E705 N708 I729 F730	V701-M726 HydrophobicContact CG1-CE 4.17Å; L704-M726 HydrophobicContact CD2-SD 3.97Å; L704-M726 HydrophobicContact CG-SD 4.02Å; E705-M726 HydrophobicContact CB-CE 3.62Å; E705-M726 HydrophobicContact CG-CE 4.09Å; N708-M726 HydrophobicContact CB-CG 4.48Å; N708-M726 HydrophobicContact CB-SD 4.47Å; M726-I729 PolarHBondContact O-N 3.34Å; M726-F730 HydrophobicContact CE-CD1 4.41Å; M726-F730 HydrophobicContact CE-CD2 3.82Å; M726-F730 HydrophobicContact CE-CE1 3.84Å; M726-F730 HydrophobicContact CE-CE2 3.18Å; M726-F730 HydrophobicContact CE-CG 4.4Å; M726-F730 HydrophobicContact CE-CZ 3.19Å; M726-F730 HydrophobicContact CG-CD2 3.88Å; M726-F730 HydrophobicContact CG-CE2 3.62Å; M726-F730 VanDerWaalsContact O-CD2 3.3Å; M726-F730 WeakPolarHBondContact O-CD2 3.27Å; M726-F730 PolarHBondContact O-N 3.32Å; M726-F730 VanDerWaalsContact O-N 3.07Å; M726-F730 HydrophobicContact SD-CE2 4.24Å
727	E	87.3	Confident	88.8	Confident	148 Å²	148	68.4 Å²	68.4	69%	0.692	37%	0.368	S	S	*	.	H	α-helix	trans	-64.8	-44.6	176.6	-170.5	171.1	-165	0	0	112.3	T725 I729 F730 V731	T725-E727 PolarHBondContact O-N 3.03Å; T725-E727 VanDerWaalsContact O-N 3.16Å; E727-I729 VanDerWaalsContact C-N 3.29Å; E727-I729 PolarHBondContact O-N 3.02Å; E727-F730 PolarHBondContact O-N 2.91Å; E727-V731 WeakPolarHBondContact O-CG2 3.45Å; E727-V731 PolarHBondContact O-N 3.2Å
728	T	91.3	Very high	89.1	Confident	69 Å²	69	66.7 Å²	66.7	42%	0.423	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-37.4	177	58.5	0	0	0	0	112.5	T725 G732	T725-T728 PolarHBondContact N-OG1 3.18Å; T725-T728 PolarHBondContact O-N 3.31Å; T725-T728 VanDerWaalsContact O-N 3.07Å; T725-T728 PolarHBondContact O-OG1 3.5Å; T725-T728 WeakPolarHBondContact OG1-CG2 3.42Å; T725-T728 PolarHBondContact OG1-N 3.13Å; T728-G732 PolarHBondContact O-N 3.16Å; T728-G732 VanDerWaalsContact O-N 3.08Å
729	I	92.7	Very high	89.4	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.015	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-43.3	177.4	-62.6	-61.8	0	0	0	111.1	I658 L662 V701 L704 Y724 T725 M726 E727 G732 W733	I658-I729 HydrophobicContact CG2-CD1 4.32Å; I658-I729 HydrophobicContact CG2-CG2 3.81Å; L662-I729 HydrophobicContact CD1-CG2 4.1Å; V701-I729 HydrophobicContact CG1-CG2 4.39Å; L704-I729 HydrophobicContact CD2-CG1 4.24Å; L704-I729 HydrophobicContact CD2-CG2 4.35Å; Y724-I729 HydrophobicContact CD1-CD1 4.08Å; Y724-I729 HydrophobicContact CG-CD1 4.16Å; T725-I729 PolarHBondContact O-N 3.36Å; M726-I729 PolarHBondContact O-N 3.34Å; E727-I729 VanDerWaalsContact C-N 3.29Å; E727-I729 PolarHBondContact O-N 3.02Å; I729-G732 PolarHBondContact O-N 3.08Å; I729-W733 WeakPolarHBondContact O-CB 3.34Å; I729-W733 PolarHBondContact O-N 3.41Å
730	F	91.5	Very high	89.5	Confident	70 Å²	70	60.4 Å²	60.4	31%	0.307	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-46.6	177.6	-82.9	-53.9	0	0	0	112.8	V701 E705 M726 E727 G732 W733 E734	V701-F730 HydrophobicContact CG1-CE1 4.16Å; E705-F730 HydrophobicContact CG-CZ 4.32Å; M726-F730 HydrophobicContact CE-CD1 4.41Å; M726-F730 HydrophobicContact CE-CD2 3.82Å; M726-F730 HydrophobicContact CE-CE1 3.84Å; M726-F730 HydrophobicContact CE-CE2 3.18Å; M726-F730 HydrophobicContact CE-CG 4.4Å; M726-F730 HydrophobicContact CE-CZ 3.19Å; M726-F730 HydrophobicContact CG-CD2 3.88Å; M726-F730 HydrophobicContact CG-CE2 3.62Å; M726-F730 VanDerWaalsContact O-CD2 3.3Å; M726-F730 WeakPolarHBondContact O-CD2 3.27Å; M726-F730 PolarHBondContact O-N 3.32Å; M726-F730 VanDerWaalsContact O-N 3.07Å; M726-F730 HydrophobicContact SD-CE2 4.24Å; E727-F730 PolarHBondContact O-N 2.91Å; F730-G732 VanDerWaalsContact C-N 3.3Å; F730-G732 PolarHBondContact O-N 3.47Å; F730-W733 WeakPolarHBondContact O-CB 3.31Å; F730-W733 PolarHBondContact O-N 3.44Å; F730-W733 VanDerWaalsContact O-N 3.16Å; F730-E734 PolarHBondContact O-N 2.98Å
731	V	89.6	Confident	89.4	Confident	81 Å²	81	59.3 Å²	59.3	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-41.1	178.1	174	0	0	0	0	111	E727 W733 T735	E727-V731 WeakPolarHBondContact O-CG2 3.45Å; E727-V731 PolarHBondContact O-N 3.2Å; V731-W733 VanDerWaalsContact C-N 3.34Å; V731-W733 PolarHBondContact O-N 3.46Å; V731-T735 WeakPolarHBondContact O-CB 3.42Å; V731-T735 PolarHBondContact O-N 2.89Å; V731-T735 PolarHBondContact O-OG1 3.03Å
732	G	88.8	Confident	89	Confident	28 Å²	28	61.2 Å²	61.2	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.4	0	0	0	0	0	112.7	T728 I729 F730 L736	T728-G732 PolarHBondContact O-N 3.16Å; T728-G732 VanDerWaalsContact O-N 3.08Å; I729-G732 PolarHBondContact O-N 3.08Å; F730-G732 VanDerWaalsContact C-N 3.3Å; F730-G732 PolarHBondContact O-N 3.47Å; G732-L736 WeakPolarHBondContact O-CB 3.2Å; G732-L736 PolarHBondContact O-N 2.89Å; G732-L736 VanDerWaalsContact O-N 3.07Å
733	W	91.3	Very high	88.6	Confident	19 Å²	19	60.7 Å²	60.7	7%	0.072	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-49	178.1	-173.3	-89	0	0	0	113.3	L662 V694 K698 V701 I729 F730 V731 T735 L736 L737	L662-W733 HydrophobicContact CD2-CD2 4.38Å; L662-W733 HydrophobicContact CD2-CE3 3.34Å; L662-W733 HydrophobicContact CD2-CZ3 3.77Å; V694-W733 HydrophobicContact CG1-CH2 3.67Å; V694-W733 HydrophobicContact CG1-CZ2 3.64Å; V694-W733 HydrophobicContact CG1-CZ3 4.14Å; V694-W733 WeakPolarHBondContact O-CH2 3.35Å; V694-W733 WeakPolarHBondContact O-CZ2 3.49Å; K698-W733 HydrophobicContact CB-CH2 4.2Å; K698-W733 HydrophobicContact CB-CZ2 3.93Å; V701-W733 HydrophobicContact CG2-CD2 4.43Å; V701-W733 HydrophobicContact CG2-CE3 3.73Å; V701-W733 HydrophobicContact CG2-CH2 4.36Å; V701-W733 HydrophobicContact CG2-CZ3 3.71Å; I729-W733 WeakPolarHBondContact O-CB 3.34Å; I729-W733 PolarHBondContact O-N 3.41Å; F730-W733 WeakPolarHBondContact O-CB 3.31Å; F730-W733 PolarHBondContact O-N 3.44Å; F730-W733 VanDerWaalsContact O-N 3.16Å; V731-W733 VanDerWaalsContact C-N 3.34Å; V731-W733 PolarHBondContact O-N 3.46Å; W733-T735 VanDerWaalsContact C-N 3.34Å; W733-T735 PolarHBondContact O-N 3.03Å; W733-L736 WeakPolarHBondContact O-CB 3.46Å; W733-L736 PolarHBondContact O-N 3.4Å; W733-L737 VanDerWaalsContact NE1-CD1 3.33Å; W733-L737 PolarHBondContact O-N 2.87Å; W733-L737 VanDerWaalsContact O-N 3.12Å
734	E	88	Confident	88.3	Confident	129 Å²	129	55.2 Å²	55.2	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-64.4	-40.3	-179.9	-69.9	-175.3	162.4	0	0	112	F730 L736 L737 T738	F730-E734 PolarHBondContact O-N 2.98Å; E734-L736 VanDerWaalsContact C-N 3.32Å; E734-L736 PolarHBondContact O-N 3.39Å; E734-L737 PolarHBondContact O-N 3.14Å; E734-T738 WeakPolarHBondContact O-CB 3.07Å; E734-T738 PolarHBondContact O-N 3.39Å; E734-T738 PolarHBondContact O-OG1 3.29Å
735	T	88.9	Confident	87.6	Confident	61 Å²	61	55.2 Å²	55.2	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-40.1	176.8	-57	0	0	0	0	111.2	V731 W733 N739	V731-T735 WeakPolarHBondContact O-CB 3.42Å; V731-T735 PolarHBondContact O-N 2.89Å; V731-T735 PolarHBondContact O-OG1 3.03Å; W733-T735 VanDerWaalsContact C-N 3.34Å; W733-T735 PolarHBondContact O-N 3.03Å; T735-N739 PolarHBondContact O-N 2.73Å; T735-N739 VanDerWaalsContact O-N 3.13Å; T735-N739 PolarHBondContact O-ND2 3.45Å
736	L	91.1	Very high	87	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-51.3	176.1	176.9	60.3	0	0	0	111.8	L662 Q665 L666 V669 V694 G732 W733 E734 T738 N739 I740	L662-L736 HydrophobicContact CD2-CD2 4.08Å; Q665-L736 HydrophobicContact CB-CD1 3.96Å; Q665-L736 HydrophobicContact CB-CD2 3.71Å; Q665-L736 HydrophobicContact CB-CG 4.5Å; L666-L736 HydrophobicContact CB-CD1 4.14Å; L666-L736 HydrophobicContact CD1-CB 4.47Å; L666-L736 HydrophobicContact CD1-CD1 4.07Å; V669-L736 HydrophobicContact CG2-CD1 4.04Å; V694-L736 HydrophobicContact CG1-CD2 4.03Å; V694-L736 HydrophobicContact CG2-CD2 3.77Å; V694-L736 HydrophobicContact CG2-CG 4.43Å; G732-L736 WeakPolarHBondContact O-CB 3.2Å; G732-L736 PolarHBondContact O-N 2.89Å; G732-L736 VanDerWaalsContact O-N 3.07Å; W733-L736 WeakPolarHBondContact O-CB 3.46Å; W733-L736 PolarHBondContact O-N 3.4Å; E734-L736 VanDerWaalsContact C-N 3.32Å; E734-L736 PolarHBondContact O-N 3.39Å; L736-T738 VanDerWaalsContact C-N 3.32Å; L736-T738 PolarHBondContact O-N 3.14Å; L736-N739 PolarHBondContact O-N 3.07Å; L736-I740 HydrophobicContact CD1-CD1 4.04Å; L736-I740 HydrophobicContact CD1-CG1 4.31Å; L736-I740 HydrophobicContact CG-CD1 3.98Å; L736-I740 WeakPolarHBondContact O-CG1 3.44Å; L736-I740 PolarHBondContact O-N 3.33Å
737	L	89.3	Confident	86.5	Confident	34 Å²	34	55.5 Å²	55.5	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-41.7	179.6	-75.5	174.4	0	0	0	112.5	Y691 V694 W733 E734 N739 I740 N741	Y691-L737 HydrophobicContact CD2-CD2 4.13Å; Y691-L737 HydrophobicContact CE2-CD2 3.75Å; V694-L737 HydrophobicContact CG1-CD2 4.09Å; W733-L737 VanDerWaalsContact NE1-CD1 3.33Å; W733-L737 PolarHBondContact O-N 2.87Å; W733-L737 VanDerWaalsContact O-N 3.12Å; E734-L737 PolarHBondContact O-N 3.14Å; L737-N739 PolarHBondContact O-N 3.31Å; L737-I740 PolarHBondContact O-N 3.36Å; L737-N741 PolarHBondContact O-N 3.04Å; L737-N741 VanDerWaalsContact O-N 3.15Å; L737-N741 PolarHBondContact O-ND2 3.23Å
738	T	84.5	Confident	86	Confident	94 Å²	94	52.4 Å²	52.4	58%	0.577	28%	0.278	S	S	*	.	H	α-helix	trans	-62	-44.4	178.5	-56	0	0	0	0	111.2	E734 L736 K742	E734-T738 WeakPolarHBondContact O-CB 3.07Å; E734-T738 PolarHBondContact O-N 3.39Å; E734-T738 PolarHBondContact O-OG1 3.29Å; L736-T738 VanDerWaalsContact C-N 3.32Å; L736-T738 PolarHBondContact O-N 3.14Å; T738-K742 WeakPolarHBondContact O-CB 3.03Å; T738-K742 PolarHBondContact O-N 3.48Å
739	N	85.8	Confident	84.9	Confident	61 Å²	61	50.3 Å²	50.3	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-39.2	178.7	-79.3	-53.5	0	0	0	112.8	L666 V669 T735 L736 L737 K742 T743	L666-N739 HydrophobicContact CD1-CB 4.29Å; V669-N739 HydrophobicContact CG1-CB 4.24Å; T735-N739 PolarHBondContact O-N 2.73Å; T735-N739 VanDerWaalsContact O-N 3.13Å; T735-N739 PolarHBondContact O-ND2 3.45Å; L736-N739 PolarHBondContact O-N 3.07Å; L737-N739 PolarHBondContact O-N 3.31Å; N739-K742 PolarHBondContact O-N 3.44Å; N739-T743 WeakPolarHBondContact O-CB 3.23Å; N739-T743 PolarHBondContact O-N 3.48Å; N739-T743 PolarHBondContact O-OG1 3.17Å
740	I	87.8	Confident	83.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-54.1	174.6	-67.2	165.5	0	0	0	110.3	V669 L690 Y691 V694 L736 L737 K742 T743 I744	V669-I740 HydrophobicContact CG1-CG1 4.42Å; V669-I740 HydrophobicContact CG2-CD1 4.26Å; V669-I740 HydrophobicContact CG2-CG1 3.43Å; V669-I740 VanDerWaalsContact CG2-CG1 3.43Å; L690-I740 HydrophobicContact CD2-CD1 3.61Å; L690-I740 HydrophobicContact CD2-CG1 4.01Å; Y691-I740 HydrophobicContact CD2-CG2 3.94Å; Y691-I740 HydrophobicContact CG-CG2 4.43Å; V694-I740 HydrophobicContact CG2-CD1 4.06Å; L736-I740 HydrophobicContact CD1-CD1 4.04Å; L736-I740 HydrophobicContact CD1-CG1 4.31Å; L736-I740 HydrophobicContact CG-CD1 3.98Å; L736-I740 WeakPolarHBondContact O-CG1 3.44Å; L736-I740 PolarHBondContact O-N 3.33Å; L737-I740 PolarHBondContact O-N 3.36Å; I740-K742 VanDerWaalsContact C-N 3.35Å; I740-K742 PolarHBondContact O-N 3.24Å; I740-T743 PolarHBondContact O-N 3.07Å; I740-I744 HydrophobicContact CG2-CD1 3.78Å; I740-I744 HydrophobicContact CG2-CG1 4.41Å; I740-I744 WeakPolarHBondContact O-CG1 3.43Å; I740-I744 PolarHBondContact O-N 3.46Å
741	N	85.6	Confident	82.8	Confident	81 Å²	81	48.5 Å²	48.5	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-39.8	-177	-72.6	-28.2	0	0	0	112.7	L737 T743 N745	L737-N741 PolarHBondContact O-N 3.04Å; L737-N741 VanDerWaalsContact O-N 3.15Å; L737-N741 PolarHBondContact O-ND2 3.23Å; N741-T743 VanDerWaalsContact C-N 3.34Å; N741-T743 PolarHBondContact O-N 3.49Å; N741-N745 PolarHBondContact O-N 3.29Å
742	K	80.9	Confident	81.7	Confident	130 Å²	130	46.9 Å²	46.9	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-61.4	-43.7	175.8	-173.8	-178.4	174.7	-172.9	0	111.6	T738 N739 I740 N745 E746	T738-K742 WeakPolarHBondContact O-CB 3.03Å; T738-K742 PolarHBondContact O-N 3.48Å; N739-K742 PolarHBondContact O-N 3.44Å; I740-K742 VanDerWaalsContact C-N 3.35Å; I740-K742 PolarHBondContact O-N 3.24Å; K742-N745 PolarHBondContact O-N 3.18Å; K742-E746 WeakPolarHBondContact CE-OE1 3.23Å; K742-E746 PolarHBondContact O-N 3.34Å; K742-E746 VanDerWaalsContact O-N 3.15Å
743	T	83.5	Confident	80.4	Confident	11 Å²	11	46 Å²	46	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-71.3	-37	-177.2	-48	0	0	0	0	111.6	A673 L687 N739 I740 N741 N745 E746 I747	A673-T743 HydrophobicContact CB-CG2 3.56Å; L687-T743 HydrophobicContact CD1-CG2 3.69Å; L687-T743 HydrophobicContact CD2-CG2 4.37Å; N739-T743 WeakPolarHBondContact O-CB 3.23Å; N739-T743 PolarHBondContact O-N 3.48Å; N739-T743 PolarHBondContact O-OG1 3.17Å; I740-T743 PolarHBondContact O-N 3.07Å; N741-T743 VanDerWaalsContact C-N 3.34Å; N741-T743 PolarHBondContact O-N 3.49Å; T743-N745 VanDerWaalsContact C-N 3.34Å; T743-N745 PolarHBondContact O-N 3.26Å; T743-E746 PolarHBondContact O-N 3.47Å; T743-I747 HydrophobicContact CG2-CD1 4.43Å; T743-I747 WeakPolarHBondContact O-CG1 3.05Å; T743-I747 PolarHBondContact O-N 3.45Å; T743-I747 VanDerWaalsContact O-N 3.09Å
744	I	84.7	Confident	79.1	Confident	22 Å²	22	46.8 Å²	46.8	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-55.4	-51.2	173.2	-75.2	172.9	0	0	0	110	L684 L687 V688 I740 E746 I747 E748	L684-I744 HydrophobicContact CD1-CB 4.42Å; L684-I744 HydrophobicContact CD1-CG2 3.85Å; L687-I744 HydrophobicContact CB-CD1 4.1Å; L687-I744 HydrophobicContact CB-CG1 3.56Å; L687-I744 HydrophobicContact CD1-CG1 3.94Å; L687-I744 HydrophobicContact CG-CG1 4.34Å; V688-I744 HydrophobicContact CG2-CD1 4.43Å; I740-I744 HydrophobicContact CG2-CD1 3.78Å; I740-I744 HydrophobicContact CG2-CG1 4.41Å; I740-I744 WeakPolarHBondContact O-CG1 3.43Å; I740-I744 PolarHBondContact O-N 3.46Å; I744-E746 PolarHBondContact O-N 2.96Å; I744-I747 PolarHBondContact O-N 3.31Å; I744-E748 HydrophobicContact CG2-CG 4.41Å; I744-E748 WeakPolarHBondContact O-CG 3.43Å; I744-E748 PolarHBondContact O-N 3.25Å
745	N	76.8	Confident	77.7	Confident	30 Å²	30	49 Å²	49	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-41.6	-179.4	-171	5.1	0	0	0	112.7	T351 N741 K742 T743 I747 E748 N749	T351-N745 WeakPolarHBondContact CG2-ND2 3.43Å; T351-N745 WeakPolarHBondContact CG2-OD1 3.44Å; T351-N745 PolarHBondContact OG1-ND2 3.3Å; N741-N745 PolarHBondContact O-N 3.29Å; K742-N745 PolarHBondContact O-N 3.18Å; T743-N745 VanDerWaalsContact C-N 3.34Å; T743-N745 PolarHBondContact O-N 3.26Å; N745-I747 VanDerWaalsContact C-N 3.34Å; N745-I747 PolarHBondContact O-N 3.17Å; N745-E748 PolarHBondContact O-N 3.39Å; N745-N749 PolarHBondContact O-N 3.08Å; N745-N749 VanDerWaalsContact O-N 3.15Å; N745-N749 PolarHBondContact O-ND2 3.25Å; N745-N749 PolarHBondContact OD1-ND2 2.94Å; N745-N749 VanDerWaalsContact OD1-ND2 3.09Å
746	E	78.2	Confident	76.1	Confident	88 Å²	88	50.9 Å²	50.9	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-42.7	175.2	-79.5	173.8	-172.6	0	0	112.1	K742 T743 I744 Q750	K742-E746 WeakPolarHBondContact CE-OE1 3.23Å; K742-E746 PolarHBondContact O-N 3.34Å; K742-E746 VanDerWaalsContact O-N 3.15Å; T743-E746 PolarHBondContact O-N 3.47Å; I744-E746 PolarHBondContact O-N 2.96Å; E746-Q750 WeakPolarHBondContact O-CG 3.06Å; E746-Q750 PolarHBondContact O-N 3.42Å
747	I	78.4	Confident	74.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-72.8	-38.3	178.7	-63.2	-176.1	0	0	0	111.7	I672 L680 A683 L684 L687 T743 I744 N745 N749 Q750 V751	I672-I747 HydrophobicContact CG2-CD1 4.32Å; L680-I747 HydrophobicContact CB-CG2 4.44Å; L680-I747 HydrophobicContact CD2-CG2 4.41Å; L680-I747 WeakPolarHBondContact O-CG2 3.4Å; A683-I747 HydrophobicContact CB-CD1 3.85Å; L684-I747 HydrophobicContact CB-CG2 4.08Å; L684-I747 HydrophobicContact CD1-CG2 4.49Å; L687-I747 HydrophobicContact CD1-CD1 3.66Å; T743-I747 HydrophobicContact CG2-CD1 4.43Å; T743-I747 WeakPolarHBondContact O-CG1 3.05Å; T743-I747 PolarHBondContact O-N 3.45Å; T743-I747 VanDerWaalsContact O-N 3.09Å; I744-I747 PolarHBondContact O-N 3.31Å; N745-I747 VanDerWaalsContact C-N 3.34Å; N745-I747 PolarHBondContact O-N 3.17Å; I747-N749 VanDerWaalsContact C-N 3.33Å; I747-N749 PolarHBondContact O-N 3.06Å; I747-Q750 WeakPolarHBondContact O-CA 3.36Å; I747-Q750 WeakPolarHBondContact O-CB 3.44Å; I747-Q750 PolarHBondContact O-N 3.03Å; I747-V751 HydrophobicContact CG2-CG2 4.37Å; I747-V751 WeakPolarHBondContact O-CG2 3.19Å; I747-V751 PolarHBondContact O-N 3.29Å
748	E	77.1	Confident	72.4	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-44.4	176.2	-76	179.9	160.2	0	0	111.9	L684 I744 N745 Q750 V751 I752	L684-E748 HydrophobicContact CD1-CG 3.57Å; L684-E748 HydrophobicContact CD2-CG 3.91Å; L684-E748 HydrophobicContact CG-CG 4.42Å; I744-E748 HydrophobicContact CG2-CG 4.41Å; I744-E748 WeakPolarHBondContact O-CG 3.43Å; I744-E748 PolarHBondContact O-N 3.25Å; N745-E748 PolarHBondContact O-N 3.39Å; E748-Q750 PolarHBondContact O-N 3.07Å; E748-V751 PolarHBondContact O-N 3.43Å; E748-I752 WeakPolarHBondContact O-CG1 3.25Å; E748-I752 PolarHBondContact O-N 2.99Å; E748-I752 VanDerWaalsContact O-N 3.12Å
749	N	68.3	Low	71	Confident	25 Å²	25	55.7 Å²	55.7	13%	0.134	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-32.7	176.1	-70.1	-51.7	0	0	0	112.1	T355 N745 I747 L753	T355-N749 PolarHBondContact OG1-OD1 3.47Å; N745-N749 PolarHBondContact O-N 3.08Å; N745-N749 VanDerWaalsContact O-N 3.15Å; N745-N749 PolarHBondContact O-ND2 3.25Å; N745-N749 PolarHBondContact OD1-ND2 2.94Å; N745-N749 VanDerWaalsContact OD1-ND2 3.09Å; I747-N749 VanDerWaalsContact C-N 3.33Å; I747-N749 PolarHBondContact O-N 3.06Å; N749-L753 WeakPolarHBondContact O-CD1 3.36Å; N749-L753 WeakPolarHBondContact O-CG 3.42Å; N749-L753 PolarHBondContact O-N 3.21Å
750	Q	69.2	Low	69.9	Low	13 Å²	13	53.5 Å²	53.5	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-73.4	-37.4	176.1	-66.5	167.3	3.2	0	0	112.9	L680 E746 I747 E748 I752 L753 T754	L680-Q750 HydrophobicContact CD1-CB 4.02Å; L680-Q750 HydrophobicContact CD2-CB 4.28Å; E746-Q750 WeakPolarHBondContact O-CG 3.06Å; E746-Q750 PolarHBondContact O-N 3.42Å; I747-Q750 WeakPolarHBondContact O-CA 3.36Å; I747-Q750 WeakPolarHBondContact O-CB 3.44Å; I747-Q750 PolarHBondContact O-N 3.03Å; E748-Q750 PolarHBondContact O-N 3.07Å; Q750-I752 VanDerWaalsContact C-N 3.32Å; Q750-I752 PolarHBondContact O-N 2.8Å; Q750-L753 WeakPolarHBondContact O-CB 3.39Å; Q750-L753 PolarHBondContact O-N 2.99Å; Q750-T754 PolarHBondContact O-N 2.79Å; Q750-T754 PolarHBondContact O-OG1 3.41Å
751	V	71.2	Confident	68.8	Low	22 Å²	22	62.3 Å²	62.3	13%	0.133	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.1	172.5	0	0	0	0	110.6	L680 E681 I747 E748 L753 T754 R755	L680-V751 HydrophobicContact CB-CG2 3.64Å; E681-V751 HydrophobicContact CG-CG1 4.26Å; E681-V751 HydrophobicContact CG-CG2 4.4Å; I747-V751 HydrophobicContact CG2-CG2 4.37Å; I747-V751 WeakPolarHBondContact O-CG2 3.19Å; I747-V751 PolarHBondContact O-N 3.29Å; E748-V751 PolarHBondContact O-N 3.43Å; V751-L753 VanDerWaalsContact C-N 3.27Å; V751-L753 PolarHBondContact O-N 2.91Å; V751-T754 WeakPolarHBondContact CA-OG1 3.48Å; V751-T754 PolarHBondContact O-N 3.35Å; V751-T754 VanDerWaalsContact O-N 3.15Å; V751-T754 PolarHBondContact O-OG1 2.64Å; V751-R755 WeakPolarHBondContact O-CB 3.43Å; V751-R755 PolarHBondContact O-N 2.9Å
752	I	66	Low	67.8	Low	46 Å²	46	61.9 Å²	61.9	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176.5	-66.6	168.1	0	0	0	110.7	T355 E748 Q750 T754 R755 D756	T355-I752 HydrophobicContact CG2-CD1 4.23Å; E748-I752 WeakPolarHBondContact O-CG1 3.25Å; E748-I752 PolarHBondContact O-N 2.99Å; E748-I752 VanDerWaalsContact O-N 3.12Å; Q750-I752 VanDerWaalsContact C-N 3.32Å; Q750-I752 PolarHBondContact O-N 2.8Å; I752-T754 VanDerWaalsContact C-N 3.34Å; I752-T754 PolarHBondContact O-N 3.37Å; I752-R755 PolarHBondContact O-N 2.8Å; I752-D756 PolarHBondContact O-N 3.06Å
753	L	62.3	Low	67.4	Low	10 Å²	10	63 Å²	63	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-39.4	177.2	-77.2	158.5	0	0	0	112.9	T358 L362 N749 Q750 V751 L829	T358-L753 HydrophobicContact CG2-CD2 4.34Å; T358-L753 HydrophobicContact CG2-CG 4.45Å; L362-L753 HydrophobicContact CD1-CD2 3.62Å; L362-L753 HydrophobicContact CD1-CG 4.38Å; L362-L753 HydrophobicContact CD2-CD2 3.53Å; L362-L753 HydrophobicContact CG-CD2 4.01Å; N749-L753 WeakPolarHBondContact O-CD1 3.36Å; N749-L753 WeakPolarHBondContact O-CG 3.42Å; N749-L753 PolarHBondContact O-N 3.21Å; Q750-L753 WeakPolarHBondContact O-CB 3.39Å; Q750-L753 PolarHBondContact O-N 2.99Å; V751-L753 VanDerWaalsContact C-N 3.27Å; V751-L753 PolarHBondContact O-N 2.91Å; L753-L829 HydrophobicContact CD1-CD2 3.7Å
754	T	62.5	Low	67	Low	35 Å²	35	65.5 Å²	65.5	22%	0.215	32%	0.317	C	S	.	.	H	α-helix	trans	-80.9	-26.9	-179.5	46	0	0	0	0	114.5	L680 Q750 V751 I752 L765	L680-T754 HydrophobicContact CD1-CG2 4Å; Q750-T754 PolarHBondContact O-N 2.79Å; Q750-T754 PolarHBondContact O-OG1 3.41Å; V751-T754 WeakPolarHBondContact CA-OG1 3.48Å; V751-T754 PolarHBondContact O-N 3.35Å; V751-T754 VanDerWaalsContact O-N 3.15Å; V751-T754 PolarHBondContact O-OG1 2.64Å; I752-T754 VanDerWaalsContact C-N 3.34Å; I752-T754 PolarHBondContact O-N 3.37Å; T754-L765 HydrophobicContact CG2-CB 4.18Å; T754-L765 HydrophobicContact CG2-CD1 4.05Å; T754-L765 HydrophobicContact CG2-CD2 3.81Å; T754-L765 HydrophobicContact CG2-CG 4.24Å
755	R	60.3	Low	66.3	Low	177 Å²	177	64.5 Å²	64.5	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-98.7	-42.7	-171.3	-154.3	-171	87	162.8	8.1	113.9	V751 I752	V751-R755 WeakPolarHBondContact O-CB 3.43Å; V751-R755 PolarHBondContact O-N 2.9Å; I752-R755 PolarHBondContact O-N 2.8Å
756	D	54.4	Low	66.2	Low	99 Å²	99	66 Å²	66	53%	0.529	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-11.4	-165.8	-63.8	-16.1	0	0	0	113.1	I752	I752-D756 PolarHBondContact O-N 3.06Å
757	A	50.6	Low	66.3	Low	21 Å²	21	67.6 Å²	67.6	17%	0.174	33%	0.327	C	S	.	.	S	Bend	trans	-104.2	119.9	174.6	0	0	0	0	0	111.8	L362 G759	L362-A757 HydrophobicContact CD1-CB 4.27Å; L362-A757 HydrophobicContact CD2-CB 4.17Å; A757-G759 PolarHBondContact O-N 3.43Å
758	K	52.4	Low	66.3	Low	157 Å²	157	67.8 Å²	67.8	68%	0.683	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	75.5	-171.5	-63.9	174.9	178.8	168.9	0	115.1	L837	K758-L837 WeakPolarHBondContact O-CD2 3.41Å
759	G	53.9	Low	66.3	Low	52 Å²	52	65.1 Å²	65.1	54%	0.536	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	163	-11.6	159.1	0	0	0	0	0	120.1	A757	A757-G759 PolarHBondContact O-N 3.43Å
760	I	62.9	Low	66.9	Low	15 Å²	15	69 Å²	69	8%	0.077	34%	0.335	C	S	.	.			trans	-102.8	111.3	-174.2	-57.3	176.1	0	0	0	109.9	Q764 L765 T833	I760-Q764 HydrophobicContact CG2-CB 4.2Å; I760-L765 HydrophobicContact CG2-CB 4.14Å; I760-L765 HydrophobicContact CG2-CD1 3.98Å; I760-T833 HydrophobicContact CD1-CG2 3.03Å
761	R	64.9	Low	67.5	Low	185 Å²	185	69.6 Å²	69.6	70%	0.698	34%	0.34	S	S	*	.			trans	-69.4	147.8	174.4	-59.3	-176.7	-168.1	173.4	5.1	109.5	E763 Q764 L765	R761-E763 PolarHBondContact O-N 2.77Å; R761-E763 VanDerWaalsContact O-N 3.13Å; R761-Q764 WeakPolarHBondContact O-CA 3.26Å; R761-Q764 WeakPolarHBondContact O-CB 3.08Å; R761-Q764 PolarHBondContact O-N 2.86Å; R761-L765 PolarHBondContact O-N 3.26Å; R761-L765 VanDerWaalsContact O-N 3.08Å
762	E	65.8	Low	68.1	Low	72 Å²	72	68.9 Å²	68.9	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-55	-34	179.3	-164.3	175.1	-160.5	0	0	112.5	S679 L680 L765 N766	S679-E762 WeakPolarHBondContact CA-OE1 3.49Å; S679-E762 WeakPolarHBondContact CB-OE1 3.39Å; L680-E762 PolarHBondContact N-OE1 2.77Å; E762-L765 PolarHBondContact O-N 2.68Å; E762-N766 WeakPolarHBondContact O-CB 3.39Å; E762-N766 PolarHBondContact O-N 3.45Å; E762-N766 PolarHBondContact O-ND2 3.5Å
763	E	72.2	Confident	68.8	Low	153 Å²	153	70 Å²	70	72%	0.715	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-43.1	173.5	-65.9	178.2	160.4	0	0	112.7	R761 N766 E767	R761-E763 PolarHBondContact O-N 2.77Å; R761-E763 VanDerWaalsContact O-N 3.13Å; E763-N766 PolarHBondContact O-N 2.92Å; E763-E767 PolarHBondContact O-N 3.36Å
764	Q	73.9	Confident	69.8	Low	64 Å²	64	76 Å²	76	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-71	-37.3	-178.3	-156.2	178.2	-8.8	0	0	110.8	I760 R761 E767 F768	I760-Q764 HydrophobicContact CG2-CB 4.2Å; R761-Q764 WeakPolarHBondContact O-CA 3.26Å; R761-Q764 WeakPolarHBondContact O-CB 3.08Å; R761-Q764 PolarHBondContact O-N 2.86Å; Q764-E767 WeakPolarHBondContact O-CB 3.08Å; Q764-E767 PolarHBondContact O-N 3.38Å; Q764-F768 HydrophobicContact CG-CE2 4.24Å; Q764-F768 HydrophobicContact CG-CZ 4.05Å; Q764-F768 WeakPolarHBondContact O-CD2 3.48Å; Q764-F768 VanDerWaalsContact O-CG 3.32Å; Q764-F768 WeakPolarHBondContact O-CG 3.31Å; Q764-F768 PolarHBondContact O-N 3.46Å
765	L	71.8	Confident	70.8	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-40.3	172.5	-157.1	103.4	0	0	0	111.8	L680 T754 I760 R761 E762 F768 R769 L829	L680-L765 HydrophobicContact CD1-CD2 3.74Å; T754-L765 HydrophobicContact CG2-CB 4.18Å; T754-L765 HydrophobicContact CG2-CD1 4.05Å; T754-L765 HydrophobicContact CG2-CD2 3.81Å; T754-L765 HydrophobicContact CG2-CG 4.24Å; I760-L765 HydrophobicContact CG2-CB 4.14Å; I760-L765 HydrophobicContact CG2-CD1 3.98Å; R761-L765 PolarHBondContact O-N 3.26Å; R761-L765 VanDerWaalsContact O-N 3.08Å; E762-L765 PolarHBondContact O-N 2.68Å; L765-F768 PolarHBondContact O-N 3.35Å; L765-R769 WeakPolarHBondContact O-CB 3.33Å; L765-R769 PolarHBondContact O-N 3.31Å; L765-L829 HydrophobicContact CD1-CD1 3.96Å; L765-L829 HydrophobicContact CD1-CD2 4.06Å; L765-L829 HydrophobicContact CD1-CG 4.48Å; L765-L829 HydrophobicContact CG-CD1 4.38Å
766	N	74.1	Confident	71.9	Confident	61 Å²	61	68.4 Å²	68.4	33%	0.326	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-37.1	174	-86.1	-30.1	0	0	0	112.2	E762 E763 R769 N770	E762-N766 WeakPolarHBondContact O-CB 3.39Å; E762-N766 PolarHBondContact O-N 3.45Å; E762-N766 PolarHBondContact O-ND2 3.5Å; E763-N766 PolarHBondContact O-N 2.92Å; N766-R769 PolarHBondContact O-N 3.4Å; N766-N770 WeakPolarHBondContact O-CB 3.5Å; N766-N770 PolarHBondContact O-N 3.49Å; N766-N770 PolarHBondContact O-ND2 3.44Å
767	E	79.4	Confident	73	Confident	122 Å²	122	74.5 Å²	74.5	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-60.1	-49.4	171.5	-109.7	-176.4	170.6	0	0	111.8	E763 Q764 R769 N770 S771	E763-E767 PolarHBondContact O-N 3.36Å; Q764-E767 WeakPolarHBondContact O-CB 3.08Å; Q764-E767 PolarHBondContact O-N 3.38Å; E767-R769 VanDerWaalsContact C-N 3.29Å; E767-R769 PolarHBondContact O-N 3.21Å; E767-N770 PolarHBondContact O-N 3.31Å; E767-S771 PolarHBondContact O-N 3.31Å; E767-S771 PolarHBondContact O-OG 3.13Å
768	F	79.1	Confident	74.1	Confident	8 Å²	8	76 Å²	76	4%	0.035	36%	0.364	C	S	.	.	H	α-helix	trans	-57.1	-43.1	175.7	-65.2	-27.7	0	0	0	111.9	Q764 L765 Y772 L794 F828 L829 M832	Q764-F768 HydrophobicContact CG-CE2 4.24Å; Q764-F768 HydrophobicContact CG-CZ 4.05Å; Q764-F768 WeakPolarHBondContact O-CD2 3.48Å; Q764-F768 VanDerWaalsContact O-CG 3.32Å; Q764-F768 WeakPolarHBondContact O-CG 3.31Å; Q764-F768 PolarHBondContact O-N 3.46Å; L765-F768 PolarHBondContact O-N 3.35Å; F768-Y772 VanDerWaalsContact O-CB 3.23Å; F768-Y772 WeakPolarHBondContact O-CB 3.29Å; F768-Y772 PolarHBondContact O-N 3.08Å; F768-L794 HydrophobicContact CD1-CD1 3.9Å; F768-L794 HydrophobicContact CD1-CD2 3.8Å; F768-L794 HydrophobicContact CD1-CG 4.4Å; F768-L794 HydrophobicContact CE1-CD1 4.5Å; F768-L794 HydrophobicContact CE1-CD2 4.3Å; F768-F828 HydrophobicContact CB-CE1 3.93Å; F768-F828 HydrophobicContact CB-CZ 4.22Å; F768-F828 HydrophobicContact CD1-CZ 4.42Å; F768-F828 HydrophobicContact CG-CZ 4.5Å; F768-L829 HydrophobicContact CB-CD1 4.07Å; F768-L829 HydrophobicContact CD2-CD1 3.79Å; F768-L829 HydrophobicContact CG-CD1 4.36Å; F768-M832 HydrophobicContact CD1-CE 4.13Å; F768-M832 HydrophobicContact CD2-CB 4.48Å; F768-M832 HydrophobicContact CE1-CB 4.4Å; F768-M832 HydrophobicContact CE1-CE 3.39Å; F768-M832 HydrophobicContact CE1-CG 4.43Å; F768-M832 HydrophobicContact CE2-CB 4.06Å; F768-M832 HydrophobicContact CZ-CB 4.01Å; F768-M832 HydrophobicContact CZ-CE 3.81Å
769	R	77.4	Confident	75	Confident	29 Å²	29	77 Å²	77	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-67.9	-42.7	178.9	-164.1	174.5	-169.4	152.1	0.9	112.8	A673 L765 N766 E767 Y772 N773 F825	A673-R769 PolarHBondContact O-NH2 3.47Å; L765-R769 WeakPolarHBondContact O-CB 3.33Å; L765-R769 PolarHBondContact O-N 3.31Å; N766-R769 PolarHBondContact O-N 3.4Å; E767-R769 VanDerWaalsContact C-N 3.29Å; E767-R769 PolarHBondContact O-N 3.21Å; R769-Y772 PolarHBondContact O-N 3.4Å; R769-N773 VanDerWaalsContact O-CB 3.31Å; R769-N773 WeakPolarHBondContact O-CB 3.46Å; R769-N773 PolarHBondContact O-N 2.89Å; R769-F825 HydrophobicContact CB-CE2 4.1Å; R769-F825 HydrophobicContact CB-CZ 3.82Å; R769-F825 HydrophobicContact CG-CE2 4.21Å; R769-F825 HydrophobicContact CG-CZ 3.94Å
770	N	79.8	Confident	76	Confident	107 Å²	107	80.4 Å²	80.4	57%	0.572	37%	0.365	S	S	*	.	H	α-helix	trans	-63.3	-46.1	178.6	-75.1	-27.8	0	0	0	111.3	N766 E767 H774	N766-N770 WeakPolarHBondContact O-CB 3.5Å; N766-N770 PolarHBondContact O-N 3.49Å; N766-N770 PolarHBondContact O-ND2 3.44Å; E767-N770 PolarHBondContact O-N 3.31Å; N770-H774 WeakPolarHBondContact O-CB 3.04Å; N770-H774 PolarHBondContact O-N 3.4Å
771	S	82.5	Confident	76.4	Confident	25 Å²	25	79.7 Å²	79.7	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-46.1	174.7	-66.5	0	0	0	0	110.9	E767 N773 H774 F775 L794	E767-S771 PolarHBondContact O-N 3.31Å; E767-S771 PolarHBondContact O-OG 3.13Å; S771-N773 PolarHBondContact O-N 3.43Å; S771-H774 WeakPolarHBondContact O-CB 3.44Å; S771-H774 PolarHBondContact O-N 3.14Å; S771-F775 WeakPolarHBondContact O-CD2 3.32Å; S771-F775 PolarHBondContact O-N 3.44Å; S771-L794 WeakPolarHBondContact OG-CD2 3.4Å
772	Y	83.7	Confident	77.3	Confident	6 Å²	6	71 Å²	71	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-49.2	178.4	-177.9	-83.4	0	0	0	112.5	F768 R769 H774 F775 D776 G781 I782 V823 Q824 F825 F828	F768-Y772 VanDerWaalsContact O-CB 3.23Å; F768-Y772 WeakPolarHBondContact O-CB 3.29Å; F768-Y772 PolarHBondContact O-N 3.08Å; R769-Y772 PolarHBondContact O-N 3.4Å; Y772-H774 PolarHBondContact O-N 3.33Å; Y772-F775 PolarHBondContact O-N 3.27Å; Y772-F775 VanDerWaalsContact O-N 3.1Å; Y772-D776 HydrophobicContact CD1-CB 4.29Å; Y772-D776 HydrophobicContact CE1-CB 3.85Å; Y772-D776 PolarHBondContact O-N 3.19Å; Y772-G781 WeakPolarHBondContact OH-CA 3.28Å; Y772-I782 HydrophobicContact CD1-CD1 4.27Å; Y772-I782 HydrophobicContact CD1-CG1 4.49Å; Y772-I782 HydrophobicContact CD2-CD1 3.17Å; Y772-I782 HydrophobicContact CD2-CG1 3.87Å; Y772-I782 HydrophobicContact CE1-CD1 4.45Å; Y772-I782 HydrophobicContact CE1-CG1 4.24Å; Y772-I782 HydrophobicContact CE2-CB 4.34Å; Y772-I782 HydrophobicContact CE2-CD1 3.43Å; Y772-I782 VanDerWaalsContact CE2-CD1 3.43Å; Y772-I782 HydrophobicContact CE2-CG1 3.6Å; Y772-I782 HydrophobicContact CG-CD1 3.64Å; Y772-I782 HydrophobicContact CG-CG1 4.3Å; Y772-V823 PolarHBondContact OH-O 3.22Å; Y772-Q824 WeakPolarHBondContact OH-CA 3.31Å; Y772-F825 HydrophobicContact CD1-CB 4.19Å; Y772-F825 AromaticContact CD1-CD2 3.63Å; Y772-F825 HydrophobicContact CD1-CD2 3.63Å; Y772-F825 HydrophobicContact CD1-CE2 4.47Å; Y772-F825 HydrophobicContact CD1-CG 4.29Å; Y772-F825 HydrophobicContact CD2-CB 4.46Å; Y772-F825 AromaticContact CD2-CD2 3.71Å; Y772-F825 HydrophobicContact CD2-CD2 3.71Å; Y772-F825 HydrophobicContact CE1-CB 3.82Å; Y772-F825 HydrophobicContact CE1-CD2 4.15Å; Y772-F825 HydrophobicContact CE1-CG 4.41Å; Y772-F825 HydrophobicContact CE2-CB 4.09Å; Y772-F825 HydrophobicContact CE2-CD2 4.2Å; Y772-F825 AromaticContact CG-CD2 3.41Å; Y772-F825 HydrophobicContact CG-CD2 3.41Å; Y772-F825 VanDerWaalsContact CG-CD2 3.41Å; Y772-F825 HydrophobicContact CG-CE2 4.08Å; Y772-F825 HydrophobicContact CG-CG 4.4Å; Y772-F825 PolarHBondContact OH-N 2.69Å; Y772-F828 HydrophobicContact CD2-CB 4.1Å; Y772-F828 AromaticContact CD2-CD1 3.52Å; Y772-F828 HydrophobicContact CD2-CD1 3.52Å; Y772-F828 HydrophobicContact CD2-CE1 4.2Å; Y772-F828 AromaticContact CD2-CG 3.93Å; Y772-F828 HydrophobicContact CD2-CG 3.93Å; Y772-F828 HydrophobicContact CE2-CB 4.15Å; Y772-F828 HydrophobicContact CE2-CD1 4.35Å; Y772-F828 HydrophobicContact CE2-CG 4.48Å; Y772-F828 HydrophobicContact CG-CD1 4.22Å
773	N	81.3	Confident	78.2	Confident	70 Å²	70	71.9 Å²	71.9	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-28	178.9	-78.2	-16.4	0	0	0	112.8	R769 S771 F775	R769-N773 VanDerWaalsContact O-CB 3.31Å; R769-N773 WeakPolarHBondContact O-CB 3.46Å; R769-N773 PolarHBondContact O-N 2.89Å; S771-N773 PolarHBondContact O-N 3.43Å; N773-F775 VanDerWaalsContact C-N 3.31Å
774	H	83.5	Confident	78.5	Confident	135 Å²	135	66.2 Å²	66.2	63%	0.625	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-37.3	175.4	-173.2	70.3	0	0	0	112	N770 S771 Y772	N770-H774 WeakPolarHBondContact O-CB 3.04Å; N770-H774 PolarHBondContact O-N 3.4Å; S771-H774 WeakPolarHBondContact O-CB 3.44Å; S771-H774 PolarHBondContact O-N 3.14Å; Y772-H774 PolarHBondContact O-N 3.33Å
775	F	83.2	Confident	78.6	Confident	39 Å²	39	70.7 Å²	70.7	17%	0.171	33%	0.331	C	S	.	.	H	α-helix	trans	-91.5	-26.4	-179.1	-68.5	-76.9	0	0	0	113.1	S771 Y772 N773 R777 I782 D786 C790	S771-F775 WeakPolarHBondContact O-CD2 3.32Å; S771-F775 PolarHBondContact O-N 3.44Å; Y772-F775 PolarHBondContact O-N 3.27Å; Y772-F775 VanDerWaalsContact O-N 3.1Å; N773-F775 VanDerWaalsContact C-N 3.31Å; F775-R777 VanDerWaalsContact C-N 3.32Å; F775-R777 PolarHBondContact O-N 3.43Å; F775-I782 HydrophobicContact CB-CD1 3.88Å; F775-I782 HydrophobicContact CB-CG1 4.22Å; F775-I782 HydrophobicContact CB-CG2 4.3Å; F775-D786 HydrophobicContact CB-CB 4.44Å; F775-D786 HydrophobicContact CD1-CB 4.4Å; F775-C790 HydrophobicContact CB-CB 4.37Å; F775-C790 HydrophobicContact CD2-CB 3.57Å; F775-C790 HydrophobicContact CE2-CB 4.08Å; F775-C790 HydrophobicContact CG-CB 4.03Å
776	D	83.4	Confident	79.2	Confident	15 Å²	15	73.4 Å²	73.4	8%	0.08	35%	0.346	C	S	.	.			trans	-82.7	70.3	173.8	-168.3	4.9	0	0	0	112.9	Y772 S778 R779 Q780 G781 I782	Y772-D776 HydrophobicContact CD1-CB 4.29Å; Y772-D776 HydrophobicContact CE1-CB 3.85Å; Y772-D776 PolarHBondContact O-N 3.19Å; D776-S778 PolarHBondContact O-N 3.29Å; D776-S778 PolarHBondContact OD1-N 3.13Å; D776-S778 PolarHBondContact OD1-OG 3.24Å; D776-S778 VanDerWaalsContact OD1-OG 3.07Å; D776-R779 PolarHBondContact O-N 3.11Å; D776-R779 WeakPolarHBondContact OD1-CA 3.44Å; D776-R779 PolarHBondContact OD1-N 3.38Å; D776-R779 VanDerWaalsContact OD2-CA 3.29Å; D776-R779 WeakPolarHBondContact OD2-CA 3.23Å; D776-Q780 PolarHBondContact OD1-N 3.18Å; D776-Q780 PolarHBondContact OD2-N 2.87Å; D776-G781 PolarHBondContact OD1-N 3.33Å; D776-G781 PolarHBondContact OD2-N 3.13Å; D776-I782 HydrophobicContact CB-CG1 3.77Å
777	R	76.4	Confident	79.8	Confident	226 Å²	226	70.5 Å²	70.5	85%	0.853	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.5	176.1	-63.4	-177.2	-172.3	156.1	5.2	113.3	F775	F775-R777 VanDerWaalsContact C-N 3.32Å; F775-R777 PolarHBondContact O-N 3.43Å
778	S	74.1	Confident	80	Confident	54 Å²	54	67.7 Å²	67.7	38%	0.378	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-15.9	-174.8	73.3	0	0	0	0	114.1	D776 Q780	D776-S778 PolarHBondContact O-N 3.29Å; D776-S778 PolarHBondContact OD1-N 3.13Å; D776-S778 PolarHBondContact OD1-OG 3.24Å; D776-S778 VanDerWaalsContact OD1-OG 3.07Å; S778-Q780 PolarHBondContact O-N 3.24Å; S778-Q780 PolarHBondContact OG-N 2.76Å
779	R	71.4	Confident	80.2	Confident	177 Å²	177	70 Å²	70	67%	0.668	33%	0.334	S	S	*	.	S	Bend	trans	54.5	33	-172.1	-57.6	-171	-179.6	179.9	0.1	113.8	D776	D776-R779 PolarHBondContact O-N 3.11Å; D776-R779 WeakPolarHBondContact OD1-CA 3.44Å; D776-R779 PolarHBondContact OD1-N 3.38Å; D776-R779 VanDerWaalsContact OD2-CA 3.29Å; D776-R779 WeakPolarHBondContact OD2-CA 3.23Å
780	Q	74.6	Confident	80.6	Confident	123 Å²	123	68.7 Å²	68.7	58%	0.575	33%	0.329	S	S	*	.	S	Bend	trans	-131	10.9	179.5	-70.1	-176.6	-4.2	0	0	111.3	D776 S778 Q824	D776-Q780 PolarHBondContact OD1-N 3.18Å; D776-Q780 PolarHBondContact OD2-N 2.87Å; S778-Q780 PolarHBondContact O-N 3.24Å; S778-Q780 PolarHBondContact OG-N 2.76Å; Q780-Q824 PolarHBondContact O-NE2 3.01Å
781	G	72.3	Confident	80.8	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.01	30%	0.302	C	S	.	.			trans	114.1	141.4	-173.2	0	0	0	0	0	112.8	Y772 D776 V823	Y772-G781 WeakPolarHBondContact OH-CA 3.28Å; D776-G781 PolarHBondContact OD1-N 3.33Å; D776-G781 PolarHBondContact OD2-N 3.13Å; G781-V823 WeakPolarHBondContact CA-O 3.46Å
782	I	83.8	Confident	80.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.8	175.5	-65.1	179.2	0	0	0	109.3	Y772 F775 D776 D786 F787 C790 R822 V823	Y772-I782 HydrophobicContact CD1-CD1 4.27Å; Y772-I782 HydrophobicContact CD1-CG1 4.49Å; Y772-I782 HydrophobicContact CD2-CD1 3.17Å; Y772-I782 HydrophobicContact CD2-CG1 3.87Å; Y772-I782 HydrophobicContact CE1-CD1 4.45Å; Y772-I782 HydrophobicContact CE1-CG1 4.24Å; Y772-I782 HydrophobicContact CE2-CB 4.34Å; Y772-I782 HydrophobicContact CE2-CD1 3.43Å; Y772-I782 VanDerWaalsContact CE2-CD1 3.43Å; Y772-I782 HydrophobicContact CE2-CG1 3.6Å; Y772-I782 HydrophobicContact CG-CD1 3.64Å; Y772-I782 HydrophobicContact CG-CG1 4.3Å; F775-I782 HydrophobicContact CB-CD1 3.88Å; F775-I782 HydrophobicContact CB-CG1 4.22Å; F775-I782 HydrophobicContact CB-CG2 4.3Å; D776-I782 HydrophobicContact CB-CG1 3.77Å; I782-D786 HydrophobicContact CG2-CB 3.75Å; I782-F787 HydrophobicContact CG2-CB 3.92Å; I782-F787 HydrophobicContact CG2-CD2 4.5Å; I782-C790 HydrophobicContact CD1-CB 4.25Å; I782-R822 CarbonylContact O-C 3.45Å; I782-R822 VanDerWaalsContact O-CA 3.27Å; I782-R822 WeakPolarHBondContact O-CA 3.38Å; I782-V823 PolarHBondContact N-O 2.75Å; I782-V823 PolarHBondContact O-N 3.09Å
783	Q	83.7	Confident	80.7	Confident	92 Å²	92	69 Å²	69	43%	0.43	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	149.5	174.3	-63.9	-158.3	13.5	0	0	111.6	E785 D786 F787	Q783-E785 PolarHBondContact O-N 3.27Å; Q783-D786 PolarHBondContact O-N 2.92Å; Q783-F787 PolarHBondContact O-N 2.91Å
784	S	78.9	Confident	80.6	Confident	33 Å²	33	67.5 Å²	67.5	23%	0.231	33%	0.329	C	S	.	.	H	α-helix	trans	-51.6	-33.6	-177.3	-54.4	0	0	0	0	113.7	F808 G821	S784-F808 VanDerWaalsContact O-CZ 3.27Å; S784-F808 WeakPolarHBondContact O-CZ 2.99Å; S784-G821 PolarHBondContact N-O 3.31Å; S784-G821 WeakPolarHBondContact OG-CA 3.33Å; S784-G821 PolarHBondContact OG-O 2.68Å
785	E	77.1	Confident	80.1	Confident	158 Å²	158	64.1 Å²	64.1	74%	0.738	33%	0.33	S	S	*	.	H	α-helix	trans	-73.1	-39.3	179	-66	170.8	-178.1	0	0	112.6	Q783	Q783-E785 PolarHBondContact O-N 3.27Å
786	D	84.4	Confident	79.6	Confident	60 Å²	60	64.7 Å²	64.7	32%	0.321	33%	0.332	S	S	.	.	H	α-helix	trans	-77.7	-25.2	177.7	-67.9	-41.4	0	0	0	111.8	F775 I782 Q783 K788 S789 C790	F775-D786 HydrophobicContact CB-CB 4.44Å; F775-D786 HydrophobicContact CD1-CB 4.4Å; I782-D786 HydrophobicContact CG2-CB 3.75Å; Q783-D786 PolarHBondContact O-N 2.92Å; D786-K788 VanDerWaalsContact C-N 3.31Å; D786-K788 PolarHBondContact O-N 3.15Å; D786-S789 WeakPolarHBondContact O-CB 3.07Å; D786-S789 PolarHBondContact O-N 3.45Å; D786-S789 VanDerWaalsContact O-N 3.09Å; D786-C790 PolarHBondContact O-N 2.75Å
787	F	85.3	Confident	79	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-38.6	179.2	-175	-115.7	0	0	0	112.3	I782 Q783 S789 C790 L791 F808 I811 V815 V823 F828	I782-F787 HydrophobicContact CG2-CB 3.92Å; I782-F787 HydrophobicContact CG2-CD2 4.5Å; Q783-F787 PolarHBondContact O-N 2.91Å; F787-S789 VanDerWaalsContact C-N 3.29Å; F787-S789 PolarHBondContact O-N 2.69Å; F787-C790 WeakPolarHBondContact O-CB 3.1Å; F787-C790 PolarHBondContact O-N 2.79Å; F787-L791 HydrophobicContact CD1-CD1 4.17Å; F787-L791 HydrophobicContact CE1-CD1 3.66Å; F787-L791 HydrophobicContact CE1-CG 4.21Å; F787-L791 HydrophobicContact CE2-CG 4.48Å; F787-L791 HydrophobicContact CZ-CD1 4Å; F787-L791 HydrophobicContact CZ-CD2 4.26Å; F787-L791 HydrophobicContact CZ-CG 4.1Å; F787-L791 PolarHBondContact O-N 3.03Å; F787-F808 HydrophobicContact CB-CZ 4.28Å; F787-F808 AromaticContact CD1-CE2 3.62Å; F787-F808 HydrophobicContact CD1-CE2 3.62Å; F787-F808 AromaticContact CD1-CZ 3.86Å; F787-F808 HydrophobicContact CD1-CZ 3.86Å; F787-F808 HydrophobicContact CE1-CE2 4.25Å; F787-I811 HydrophobicContact CE1-CG2 3.99Å; F787-V815 HydrophobicContact CE1-CG2 3.77Å; F787-V815 HydrophobicContact CZ-CB 4.42Å; F787-V815 HydrophobicContact CZ-CG1 4.21Å; F787-V815 HydrophobicContact CZ-CG2 3.89Å; F787-V823 HydrophobicContact CB-CG2 4.29Å; F787-V823 HydrophobicContact CD1-CG2 4.04Å; F787-V823 HydrophobicContact CD2-CB 3.97Å; F787-V823 HydrophobicContact CD2-CG1 4.02Å; F787-V823 HydrophobicContact CD2-CG2 3.96Å; F787-V823 HydrophobicContact CE1-CG2 4.4Å; F787-V823 HydrophobicContact CE2-CB 4.21Å; F787-V823 HydrophobicContact CE2-CG1 3.74Å; F787-V823 HydrophobicContact CE2-CG2 4.31Å; F787-V823 HydrophobicContact CG-CB 4.34Å; F787-V823 HydrophobicContact CG-CG2 3.82Å; F787-V823 HydrophobicContact CZ-CG1 4.17Å; F787-F828 HydrophobicContact CE2-CB 4Å; F787-F828 AromaticContact CE2-CD2 3.56Å; F787-F828 HydrophobicContact CE2-CD2 3.56Å; F787-F828 HydrophobicContact CE2-CE2 4.49Å; F787-F828 HydrophobicContact CE2-CG 4.13Å; F787-F828 HydrophobicContact CZ-CD2 4.13Å
788	K	83.3	Confident	78.9	Confident	62 Å²	62	61.6 Å²	61.6	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-43.9	173.8	-161.9	174.2	-177	178.1	0	111.1	D786 L791 V792 I798 D805 F808	D786-K788 VanDerWaalsContact C-N 3.31Å; D786-K788 PolarHBondContact O-N 3.15Å; K788-L791 PolarHBondContact O-N 3.22Å; K788-V792 WeakPolarHBondContact O-CG2 3.35Å; K788-V792 PolarHBondContact O-N 2.77Å; K788-V792 VanDerWaalsContact O-N 3.16Å; K788-I798 HydrophobicContact CG-CD1 3.81Å; K788-D805 IonicContact NZ-OD1 3.99Å; K788-D805 PolarHBondContact NZ-OD1 3.16Å; K788-F808 VanDerWaalsContact CA-CE2 3.42Å; K788-F808 HydrophobicContact CB-CD1 4.39Å; K788-F808 HydrophobicContact CB-CD2 4.09Å; K788-F808 HydrophobicContact CB-CE1 3.89Å; K788-F808 HydrophobicContact CB-CE2 3.57Å; K788-F808 HydrophobicContact CB-CG 4.48Å; K788-F808 HydrophobicContact CB-CZ 3.47Å; K788-F808 VanDerWaalsContact CB-CZ 3.47Å; K788-F808 HydrophobicContact CD-CD1 4.07Å; K788-F808 HydrophobicContact CD-CD2 4.43Å; K788-F808 HydrophobicContact CD-CE1 4.31Å; K788-F808 HydrophobicContact CD-CG 4.13Å; K788-F808 HydrophobicContact CG-CD1 4.3Å; K788-F808 HydrophobicContact CG-CD2 3.88Å; K788-F808 HydrophobicContact CG-CE1 4.3Å; K788-F808 HydrophobicContact CG-CE2 3.9Å; K788-F808 HydrophobicContact CG-CG 4.1Å; K788-F808 HydrophobicContact CG-CZ 4.13Å
789	S	84.1	Confident	78.8	Confident	58 Å²	58	61.6 Å²	61.6	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-68.1	-36.4	179	-57.2	0	0	0	0	112	D786 F787 V792 S793	D786-S789 WeakPolarHBondContact O-CB 3.07Å; D786-S789 PolarHBondContact O-N 3.45Å; D786-S789 VanDerWaalsContact O-N 3.09Å; F787-S789 VanDerWaalsContact C-N 3.29Å; F787-S789 PolarHBondContact O-N 2.69Å; S789-V792 PolarHBondContact O-N 3.23Å; S789-S793 WeakPolarHBondContact O-CB 3.38Å; S789-S793 PolarHBondContact O-N 2.78Å
790	C	86.4	Confident	78.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-47	174.4	-170.8	0	0	0	0	111.9	F775 I782 D786 F787 V792 S793 L794	F775-C790 HydrophobicContact CB-CB 4.37Å; F775-C790 HydrophobicContact CD2-CB 3.57Å; F775-C790 HydrophobicContact CE2-CB 4.08Å; F775-C790 HydrophobicContact CG-CB 4.03Å; I782-C790 HydrophobicContact CD1-CB 4.25Å; D786-C790 PolarHBondContact O-N 2.75Å; F787-C790 WeakPolarHBondContact O-CB 3.1Å; F787-C790 PolarHBondContact O-N 2.79Å; C790-V792 PolarHBondContact O-N 3.09Å; C790-S793 PolarHBondContact O-N 2.99Å; C790-S793 PolarHBondContact O-OG 2.83Å; C790-L794 PolarHBondContact O-N 3.3Å
791	L	83.3	Confident	78.8	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-45.8	176.7	-75.5	174.1	0	0	0	112	F787 K788 S793 L794 Y796 I798 F808 I811 F828 F831 M832	F787-L791 HydrophobicContact CD1-CD1 4.17Å; F787-L791 HydrophobicContact CE1-CD1 3.66Å; F787-L791 HydrophobicContact CE1-CG 4.21Å; F787-L791 HydrophobicContact CE2-CG 4.48Å; F787-L791 HydrophobicContact CZ-CD1 4Å; F787-L791 HydrophobicContact CZ-CD2 4.26Å; F787-L791 HydrophobicContact CZ-CG 4.1Å; F787-L791 PolarHBondContact O-N 3.03Å; K788-L791 PolarHBondContact O-N 3.22Å; L791-S793 VanDerWaalsContact C-N 3.29Å; L791-S793 PolarHBondContact O-N 2.98Å; L791-L794 PolarHBondContact O-N 3Å; L791-Y796 HydrophobicContact CD2-CG 4.41Å; L791-Y796 WeakPolarHBondContact O-CB 3.35Å; L791-Y796 PolarHBondContact O-N 3.31Å; L791-I798 HydrophobicContact CB-CD1 4.35Å; L791-I798 HydrophobicContact CD1-CD1 4.26Å; L791-F808 HydrophobicContact CD1-CD2 4.29Å; L791-F808 HydrophobicContact CD1-CE2 4.08Å; L791-I811 HydrophobicContact CD1-CD1 4.4Å; L791-I811 HydrophobicContact CD1-CG2 4.18Å; L791-F828 HydrophobicContact CD2-CE2 4.33Å; L791-F831 HydrophobicContact CD2-CD1 4.04Å; L791-F831 HydrophobicContact CD2-CE1 3.83Å; L791-M832 HydrophobicContact CD2-SD 3.81Å
792	V	82.1	Confident	78.9	Confident	84 Å²	84	66.4 Å²	66.4	51%	0.509	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-37.3	177.9	174	0	0	0	0	111.4	K788 S789 C790 L794 G795 I798	K788-V792 WeakPolarHBondContact O-CG2 3.35Å; K788-V792 PolarHBondContact O-N 2.77Å; K788-V792 VanDerWaalsContact O-N 3.16Å; S789-V792 PolarHBondContact O-N 3.23Å; C790-V792 PolarHBondContact O-N 3.09Å; V792-L794 PolarHBondContact O-N 3.22Å; V792-G795 PolarHBondContact O-N 3.37Å; V792-G795 VanDerWaalsContact O-N 3.09Å; V792-I798 HydrophobicContact CG2-CD1 4.46Å
793	S	83	Confident	78.3	Confident	62 Å²	62	73.6 Å²	73.6	43%	0.434	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-26.9	178.3	78	0	0	0	0	113.7	S789 C790 L791 G795	S789-S793 WeakPolarHBondContact O-CB 3.38Å; S789-S793 PolarHBondContact O-N 2.78Å; C790-S793 PolarHBondContact O-N 2.99Å; C790-S793 PolarHBondContact O-OG 2.83Å; L791-S793 VanDerWaalsContact C-N 3.29Å; L791-S793 PolarHBondContact O-N 2.98Å; S793-G795 VanDerWaalsContact C-N 3.31Å
794	L	77.6	Confident	77.9	Confident	38 Å²	38	69.2 Å²	69.2	20%	0.199	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.4	178.5	-69.7	164	0	0	0	112.8	F768 S771 C790 L791 V792 F828 M832	F768-L794 HydrophobicContact CD1-CD1 3.9Å; F768-L794 HydrophobicContact CD1-CD2 3.8Å; F768-L794 HydrophobicContact CD1-CG 4.4Å; F768-L794 HydrophobicContact CE1-CD1 4.5Å; F768-L794 HydrophobicContact CE1-CD2 4.3Å; S771-L794 WeakPolarHBondContact OG-CD2 3.4Å; C790-L794 PolarHBondContact O-N 3.3Å; L791-L794 PolarHBondContact O-N 3Å; V792-L794 PolarHBondContact O-N 3.22Å; L794-F828 HydrophobicContact CD1-CE1 4.49Å; L794-F828 HydrophobicContact CD1-CE2 3.86Å; L794-F828 HydrophobicContact CD1-CZ 3.37Å; L794-M832 HydrophobicContact CB-CE 4.33Å; L794-M832 HydrophobicContact CD1-CE 4.42Å
795	G	73	Confident	77.9	Confident	64 Å²	64	71.7 Å²	71.7	66%	0.66	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	7.9	178.4	0	0	0	0	0	114.7	V792 S793 N797	V792-G795 PolarHBondContact O-N 3.37Å; V792-G795 VanDerWaalsContact O-N 3.09Å; S793-G795 VanDerWaalsContact C-N 3.31Å; G795-N797 PolarHBondContact O-N 3.16Å
796	Y	73.6	Confident	78	Confident	51 Å²	51	70.7 Å²	70.7	20%	0.2	40%	0.395	C	S	.	.			trans	-75.7	114.1	178.1	-145	-82.8	0	0	0	110.3	L791 I798 I811 F831 M832 E835	L791-Y796 HydrophobicContact CD2-CG 4.41Å; L791-Y796 WeakPolarHBondContact O-CB 3.35Å; L791-Y796 PolarHBondContact O-N 3.31Å; Y796-I798 PolarHBondContact O-N 3.13Å; Y796-I811 HydrophobicContact CE1-CD1 4.27Å; Y796-F831 HydrophobicContact CE1-CE1 4.25Å; Y796-F831 HydrophobicContact CE1-CZ 4.1Å; Y796-F831 AromaticContact CE2-CE1 4Å; Y796-F831 HydrophobicContact CE2-CE1 4Å; Y796-F831 HydrophobicContact CE2-CZ 4.31Å; Y796-F831 AromaticContact CZ-CE1 3.85Å; Y796-F831 AromaticContact CZ-CZ 3.73Å; Y796-F831 WeakPolarHBondContact OH-CZ 3.3Å; Y796-M832 HydrophobicContact CD2-CE 4.32Å; Y796-M832 HydrophobicContact CD2-SD 4.16Å; Y796-E835 HydrophobicContact CE2-CB 4.27Å; Y796-E835 HydrophobicContact CE2-CG 4.21Å; Y796-E835 WeakPolarHBondContact OH-CG 3.46Å; Y796-E835 PolarHBondContact OH-OE1 2.81Å; Y796-E835 PolarHBondContact OH-OE2 2.87Å
797	N	70.5	Confident	77.8	Confident	157 Å²	157	71.6 Å²	71.6	84%	0.84	40%	0.397	S	S	*	.			trans	-89.3	100	-166.4	-135.9	-11.6	0	0	0	110.9	G795	G795-N797 PolarHBondContact O-N 3.16Å
798	I	74.9	Confident	77.7	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.097	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-91.9	116.4	175.7	-58.2	173.2	0	0	0	108.4	K788 L791 V792 Y796 G804 F808	K788-I798 HydrophobicContact CG-CD1 3.81Å; L791-I798 HydrophobicContact CB-CD1 4.35Å; L791-I798 HydrophobicContact CD1-CD1 4.26Å; V792-I798 HydrophobicContact CG2-CD1 4.46Å; Y796-I798 PolarHBondContact O-N 3.13Å; I798-G804 VanDerWaalsContact CG2-O 3.26Å; I798-G804 WeakPolarHBondContact CG2-O 3.38Å; I798-F808 HydrophobicContact CD1-CD2 3.86Å
799	P	70.6	Confident	77.7	Confident	54 Å²	54	76.5 Å²	76.5	35%	0.351	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-56.9	139.5	-176.5	-23.4	31	0	0	0	112.8	G804	P799-G804 WeakPolarHBondContact O-CA 3.22Å; P799-G804 PolarHBondContact O-N 3.49Å
800	P	69.3	Low	77.6	Confident	132 Å²	132	81.1 Å²	81.1	86%	0.857	43%	0.43	S	S	*	.	S	Bend	trans	-70	136.6	176.5	26.9	-31.8	0	0	0	111.4
801	G	77.5	Confident	77.4	Confident	46 Å²	46	81.5 Å²	81.5	47%	0.474	43%	0.431	S	S	.	.	S	Bend	trans	105.9	-164.4	176.8	0	0	0	0	0	114	E803 G804 D805	G801-E803 PolarHBondContact O-N 3.04Å; G801-G804 PolarHBondContact O-N 3.28Å; G801-D805 PolarHBondContact O-N 3.34Å
802	R	74.4	Confident	77.3	Confident	224 Å²	224	83 Å²	83	85%	0.845	44%	0.439	S	S	*	.	H	α-helix	trans	-58.1	-34.2	-175.7	-90.7	-173.9	175.5	174.7	-1.2	113.4	D805 M806	R802-D805 PolarHBondContact O-N 3.45Å; R802-M806 WeakPolarHBondContact O-CG 3.13Å; R802-M806 PolarHBondContact O-N 3.49Å
803	E	71.8	Confident	77.2	Confident	151 Å²	151	82.3 Å²	82.3	71%	0.706	44%	0.439	S	S	*	.	H	α-helix	trans	-65.6	-44.9	-179.2	-73.6	178.6	163.6	0	0	111.8	G801 D805 M806 E807	G801-E803 PolarHBondContact O-N 3.04Å; E803-D805 PolarHBondContact O-N 3.1Å; E803-M806 PolarHBondContact O-N 3.44Å; E803-E807 PolarHBondContact O-N 3.46Å
804	G	74.8	Confident	77	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-74.4	-24	176.7	0	0	0	0	0	114.6	I798 P799 G801 M806 F808	I798-G804 VanDerWaalsContact CG2-O 3.26Å; I798-G804 WeakPolarHBondContact CG2-O 3.38Å; P799-G804 WeakPolarHBondContact O-CA 3.22Å; P799-G804 PolarHBondContact O-N 3.49Å; G801-G804 PolarHBondContact O-N 3.28Å; G804-M806 VanDerWaalsContact C-N 3.34Å; G804-F808 VanDerWaalsContact O-CB 3.23Å; G804-F808 WeakPolarHBondContact O-CB 3.38Å; G804-F808 PolarHBondContact O-N 3.34Å
805	D	79.2	Confident	76.9	Confident	85 Å²	85	82.4 Å²	82.4	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-70.1	-33.9	169.9	-73.5	-23.4	0	0	0	111.7	K788 G801 R802 E803 Q809	K788-D805 IonicContact NZ-OD1 3.99Å; K788-D805 PolarHBondContact NZ-OD1 3.16Å; G801-D805 PolarHBondContact O-N 3.34Å; R802-D805 PolarHBondContact O-N 3.45Å; E803-D805 PolarHBondContact O-N 3.1Å; D805-Q809 WeakPolarHBondContact O-CB 3.47Å; D805-Q809 PolarHBondContact O-N 3.37Å
806	M	79.7	Confident	77.1	Confident	137 Å²	137	79.9 Å²	79.9	68%	0.675	41%	0.405	S	S	*	.	H	α-helix	trans	-69.5	-42.9	171.9	-71.3	-179.9	66.6	0	0	111.7	R802 E803 G804 F808 Q809 R810	R802-M806 WeakPolarHBondContact O-CG 3.13Å; R802-M806 PolarHBondContact O-N 3.49Å; E803-M806 PolarHBondContact O-N 3.44Å; G804-M806 VanDerWaalsContact C-N 3.34Å; M806-F808 VanDerWaalsContact C-N 3.34Å; M806-Q809 PolarHBondContact O-N 3.36Å; M806-R810 PolarHBondContact O-N 3.49Å
807	E	79	Confident	77.1	Confident	79 Å²	79	81.8 Å²	81.8	37%	0.369	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-47.5	174.2	-158	78.7	-119.1	0	0	110.4	E803 Q809 R810 I811	E803-E807 PolarHBondContact O-N 3.46Å; E807-Q809 PolarHBondContact O-N 3.4Å; E807-R810 WeakPolarHBondContact O-CB 2.74Å; E807-R810 PolarHBondContact O-N 3.45Å; E807-R810 VanDerWaalsContact O-N 3.14Å; E807-R810 IonicContact OE1-NH1 3.4Å; E807-R810 PolarHBondContact OE1-NH1 3.4Å; E807-I811 WeakPolarHBondContact O-CG1 3.4Å; E807-I811 PolarHBondContact O-N 3.17Å
808	F	84.3	Confident	77.2	Confident	18 Å²	18	81.1 Å²	81.1	8%	0.079	42%	0.42	C	S	.	.	H	α-helix	trans	-65.9	-38.6	179.6	-174.4	-112.8	0	0	0	112.7	S784 F787 K788 L791 I798 G804 M806 R810 I811 L812	S784-F808 VanDerWaalsContact O-CZ 3.27Å; S784-F808 WeakPolarHBondContact O-CZ 2.99Å; F787-F808 HydrophobicContact CB-CZ 4.28Å; F787-F808 AromaticContact CD1-CE2 3.62Å; F787-F808 HydrophobicContact CD1-CE2 3.62Å; F787-F808 AromaticContact CD1-CZ 3.86Å; F787-F808 HydrophobicContact CD1-CZ 3.86Å; F787-F808 HydrophobicContact CE1-CE2 4.25Å; K788-F808 VanDerWaalsContact CA-CE2 3.42Å; K788-F808 HydrophobicContact CB-CD1 4.39Å; K788-F808 HydrophobicContact CB-CD2 4.09Å; K788-F808 HydrophobicContact CB-CE1 3.89Å; K788-F808 HydrophobicContact CB-CE2 3.57Å; K788-F808 HydrophobicContact CB-CG 4.48Å; K788-F808 HydrophobicContact CB-CZ 3.47Å; K788-F808 VanDerWaalsContact CB-CZ 3.47Å; K788-F808 HydrophobicContact CD-CD1 4.07Å; K788-F808 HydrophobicContact CD-CD2 4.43Å; K788-F808 HydrophobicContact CD-CE1 4.31Å; K788-F808 HydrophobicContact CD-CG 4.13Å; K788-F808 HydrophobicContact CG-CD1 4.3Å; K788-F808 HydrophobicContact CG-CD2 3.88Å; K788-F808 HydrophobicContact CG-CE1 4.3Å; K788-F808 HydrophobicContact CG-CE2 3.9Å; K788-F808 HydrophobicContact CG-CG 4.1Å; K788-F808 HydrophobicContact CG-CZ 4.13Å; L791-F808 HydrophobicContact CD1-CD2 4.29Å; L791-F808 HydrophobicContact CD1-CE2 4.08Å; I798-F808 HydrophobicContact CD1-CD2 3.86Å; G804-F808 VanDerWaalsContact O-CB 3.23Å; G804-F808 WeakPolarHBondContact O-CB 3.38Å; G804-F808 PolarHBondContact O-N 3.34Å; M806-F808 VanDerWaalsContact C-N 3.34Å; F808-R810 VanDerWaalsContact C-N 3.32Å; F808-R810 PolarHBondContact O-N 3.35Å; F808-I811 PolarHBondContact O-N 3.35Å; F808-L812 HydrophobicContact CD1-CD1 3.77Å; F808-L812 HydrophobicContact CE1-CD1 3.23Å; F808-L812 HydrophobicContact CE1-CG 4.28Å; F808-L812 HydrophobicContact CE2-CD1 4.44Å; F808-L812 HydrophobicContact CZ-CD1 3.6Å; F808-L812 HydrophobicContact CZ-CG 4.22Å; F808-L812 WeakPolarHBondContact O-CB 2.84Å; F808-L812 PolarHBondContact O-N 3.17Å
809	Q	82.3	Confident	77	Confident	148 Å²	148	90.9 Å²	90.9	69%	0.692	46%	0.456	S	S	*	.	H	α-helix	trans	-63	-38.3	172	-90.2	-158.9	-8	0	0	112.5	D805 M806 E807 L812 S813	D805-Q809 WeakPolarHBondContact O-CB 3.47Å; D805-Q809 PolarHBondContact O-N 3.37Å; M806-Q809 PolarHBondContact O-N 3.36Å; E807-Q809 PolarHBondContact O-N 3.4Å; Q809-L812 PolarHBondContact O-N 3.39Å; Q809-S813 PolarHBondContact O-N 3.46Å
810	R	82.4	Confident	77.2	Confident	155 Å²	155	92.1 Å²	92.1	59%	0.585	47%	0.465	S	S	*	.	H	α-helix	trans	-62.9	-46.8	174.9	-172.1	-166.6	-84.7	153.1	-12.5	110	M806 E807 F808 L812 S813 I814	M806-R810 PolarHBondContact O-N 3.49Å; E807-R810 WeakPolarHBondContact O-CB 2.74Å; E807-R810 PolarHBondContact O-N 3.45Å; E807-R810 VanDerWaalsContact O-N 3.14Å; E807-R810 IonicContact OE1-NH1 3.4Å; E807-R810 PolarHBondContact OE1-NH1 3.4Å; F808-R810 VanDerWaalsContact C-N 3.32Å; F808-R810 PolarHBondContact O-N 3.35Å; R810-L812 PolarHBondContact O-N 3.24Å; R810-S813 PolarHBondContact O-N 3.48Å; R810-S813 PolarHBondContact O-OG 3.11Å; R810-I814 WeakPolarHBondContact O-CG1 3.16Å; R810-I814 PolarHBondContact O-N 2.7Å
811	I	82.2	Confident	77.5	Confident	7 Å²	7	87.1 Å²	87.1	4%	0.036	44%	0.438	C	S	.	.	H	α-helix	trans	-57.9	-52.4	176.5	-64.6	168.4	0	0	0	109.7	F787 L791 Y796 E807 F808 S813 I814 V815 F831	F787-I811 HydrophobicContact CE1-CG2 3.99Å; L791-I811 HydrophobicContact CD1-CD1 4.4Å; L791-I811 HydrophobicContact CD1-CG2 4.18Å; Y796-I811 HydrophobicContact CE1-CD1 4.27Å; E807-I811 WeakPolarHBondContact O-CG1 3.4Å; E807-I811 PolarHBondContact O-N 3.17Å; F808-I811 PolarHBondContact O-N 3.35Å; I811-S813 PolarHBondContact O-N 3.39Å; I811-S813 VanDerWaalsContact O-N 3.15Å; I811-I814 WeakPolarHBondContact O-CA 3.24Å; I811-I814 WeakPolarHBondContact O-CB 2.93Å; I811-I814 PolarHBondContact O-N 2.9Å; I811-V815 HydrophobicContact CG2-CG2 3.61Å; I811-V815 WeakPolarHBondContact O-CG2 2.94Å; I811-V815 PolarHBondContact O-N 3.04Å; I811-F831 HydrophobicContact CB-CE2 4.26Å; I811-F831 HydrophobicContact CB-CZ 4.28Å; I811-F831 HydrophobicContact CD1-CE1 4.34Å; I811-F831 HydrophobicContact CD1-CE2 4.37Å; I811-F831 HydrophobicContact CD1-CZ 3.68Å; I811-F831 HydrophobicContact CG1-CE2 3.81Å; I811-F831 HydrophobicContact CG1-CZ 3.64Å; I811-F831 HydrophobicContact CG2-CD1 4.23Å; I811-F831 HydrophobicContact CG2-CD2 4.01Å; I811-F831 HydrophobicContact CG2-CE1 3.92Å; I811-F831 HydrophobicContact CG2-CE2 3.69Å; I811-F831 HydrophobicContact CG2-CG 4.28Å; I811-F831 HydrophobicContact CG2-CZ 3.64Å
812	L	81.9	Confident	77.6	Confident	31 Å²	31	88.7 Å²	88.7	16%	0.162	43%	0.43	C	S	.	.	H	α-helix	trans	-53.7	-36.5	177.2	-104.5	156	0	0	0	113.6	F808 Q809 R810 I814 V815 D816	F808-L812 HydrophobicContact CD1-CD1 3.77Å; F808-L812 HydrophobicContact CE1-CD1 3.23Å; F808-L812 HydrophobicContact CE1-CG 4.28Å; F808-L812 HydrophobicContact CE2-CD1 4.44Å; F808-L812 HydrophobicContact CZ-CD1 3.6Å; F808-L812 HydrophobicContact CZ-CG 4.22Å; F808-L812 WeakPolarHBondContact O-CB 2.84Å; F808-L812 PolarHBondContact O-N 3.17Å; Q809-L812 PolarHBondContact O-N 3.39Å; R810-L812 PolarHBondContact O-N 3.24Å; L812-I814 PolarHBondContact O-N 3.01Å; L812-V815 PolarHBondContact O-N 3.3Å; L812-D816 HydrophobicContact CD2-CB 4.36Å; L812-D816 CarbonylContact O-C 3.53Å; L812-D816 WeakPolarHBondContact O-CA 3.17Å; L812-D816 PolarHBondContact O-N 2.8Å
813	S	79.8	Confident	77.9	Confident	71 Å²	71	78 Å²	78	50%	0.497	39%	0.39	S	S	.	.	H	α-helix	trans	-67.4	-21.3	176.9	76.2	0	0	0	0	113.8	Q809 R810 I811	Q809-S813 PolarHBondContact O-N 3.46Å; R810-S813 PolarHBondContact O-N 3.48Å; R810-S813 PolarHBondContact O-OG 3.11Å; I811-S813 PolarHBondContact O-N 3.39Å; I811-S813 VanDerWaalsContact O-N 3.15Å
814	I	77.7	Confident	78.4	Confident	91 Å²	91	76.1 Å²	76.1	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-87.4	-44.5	175.7	-59.6	165.5	0	0	0	109.9	R810 I811 L812	R810-I814 WeakPolarHBondContact O-CG1 3.16Å; R810-I814 PolarHBondContact O-N 2.7Å; I811-I814 WeakPolarHBondContact O-CA 3.24Å; I811-I814 WeakPolarHBondContact O-CB 2.93Å; I811-I814 PolarHBondContact O-N 2.9Å; L812-I814 PolarHBondContact O-N 3.01Å
815	V	76.1	Confident	78.5	Confident	10 Å²	10	77.2 Å²	77.2	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-84.3	-23.3	-173.2	-130.4	0	0	0	0	113.9	F787 I811 L812 V823 A827 F831	F787-V815 HydrophobicContact CE1-CG2 3.77Å; F787-V815 HydrophobicContact CZ-CB 4.42Å; F787-V815 HydrophobicContact CZ-CG1 4.21Å; F787-V815 HydrophobicContact CZ-CG2 3.89Å; I811-V815 HydrophobicContact CG2-CG2 3.61Å; I811-V815 WeakPolarHBondContact O-CG2 2.94Å; I811-V815 PolarHBondContact O-N 3.04Å; L812-V815 PolarHBondContact O-N 3.3Å; V815-V823 HydrophobicContact CB-CG1 4.02Å; V815-V823 HydrophobicContact CB-CG2 4.5Å; V815-V823 HydrophobicContact CG1-CG1 3.57Å; V815-A827 HydrophobicContact CG1-CB 3.77Å; V815-A827 WeakPolarHBondContact CG1-O 3.14Å; V815-A827 WeakPolarHBondContact O-CB 3.5Å; V815-F831 HydrophobicContact CG1-CB 4.23Å
816	D	77.5	Confident	78	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.064	39%	0.387	C	S	.	.			trans	-138	68.1	176.5	-178	26.2	0	0	0	110.3	L812 N818 R819 S820 G821	L812-D816 HydrophobicContact CD2-CB 4.36Å; L812-D816 CarbonylContact O-C 3.53Å; L812-D816 WeakPolarHBondContact O-CA 3.17Å; L812-D816 PolarHBondContact O-N 2.8Å; D816-N818 PolarHBondContact O-N 3.45Å; D816-N818 VanDerWaalsContact O-N 3.12Å; D816-R819 PolarHBondContact O-N 2.77Å; D816-R819 PolarHBondContact OD1-N 3.18Å; D816-R819 WeakPolarHBondContact OD2-CA 3.37Å; D816-S820 VanDerWaalsContact CG-N 3.33Å; D816-S820 VanDerWaalsContact CG-OG 3.31Å; D816-S820 WeakPolarHBondContact OD1-CB 3.49Å; D816-S820 PolarHBondContact OD1-N 3.03Å; D816-S820 PolarHBondContact OD1-OG 3.28Å; D816-S820 PolarHBondContact OD2-N 3.25Å; D816-S820 PolarHBondContact OD2-OG 2.93Å; D816-G821 PolarHBondContact OD2-N 3.06Å
817	P	72.2	Confident	77.8	Confident	91 Å²	91	72.4 Å²	72.4	59%	0.591	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.7	-178.9	22.5	-30.8	0	0	0	112.3	R819	P817-R819 VanDerWaalsContact C-N 3.29Å; P817-R819 PolarHBondContact O-N 3.41Å
818	N	73	Confident	77.8	Confident	142 Å²	142	68.7 Å²	68.7	76%	0.759	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-7.6	-179.1	-55.4	-9.7	0	0	0	112.8	D816 S820	D816-N818 PolarHBondContact O-N 3.45Å; D816-N818 VanDerWaalsContact O-N 3.12Å; N818-S820 PolarHBondContact O-N 2.88Å
819	R	70.7	Confident	77.3	Confident	225 Å²	225	67.9 Å²	67.9	85%	0.849	35%	0.346	S	S	*	.			trans	50.4	41.3	-172.5	-57.9	-175.2	178.9	-164.3	-1.1	112.6	D816 P817 G821	D816-R819 PolarHBondContact O-N 2.77Å; D816-R819 PolarHBondContact OD1-N 3.18Å; D816-R819 WeakPolarHBondContact OD2-CA 3.37Å; P817-R819 VanDerWaalsContact C-N 3.29Å; P817-R819 PolarHBondContact O-N 3.41Å; R819-G821 PolarHBondContact O-N 2.76Å
820	S	75.9	Confident	76.7	Confident	79 Å²	79	62 Å²	62	55%	0.552	32%	0.319	S	S	*	.			trans	-64.9	-16.4	173.9	67.7	0	0	0	0	112.4	D816 N818 R822	D816-S820 VanDerWaalsContact CG-N 3.33Å; D816-S820 VanDerWaalsContact CG-OG 3.31Å; D816-S820 WeakPolarHBondContact OD1-CB 3.49Å; D816-S820 PolarHBondContact OD1-N 3.03Å; D816-S820 PolarHBondContact OD1-OG 3.28Å; D816-S820 PolarHBondContact OD2-N 3.25Å; D816-S820 PolarHBondContact OD2-OG 2.93Å; N818-S820 PolarHBondContact O-N 2.88Å; S820-R822 PolarHBondContact O-N 3.18Å; S820-R822 PolarHBondContact OG-N 3.27Å; S820-R822 PolarHBondContact OG-O 3.43Å
821	G	75.8	Confident	76.4	Confident	28 Å²	28	55.3 Å²	55.3	29%	0.289	29%	0.294	S	S	.	.	S	Bend	trans	79.4	-0.8	-175.9	0	0	0	0	0	112.8	S784 D816 R819	S784-G821 PolarHBondContact N-O 3.31Å; S784-G821 WeakPolarHBondContact OG-CA 3.33Å; S784-G821 PolarHBondContact OG-O 2.68Å; D816-G821 PolarHBondContact OD2-N 3.06Å; R819-G821 PolarHBondContact O-N 2.76Å
822	R	78.7	Confident	76	Confident	79 Å²	79	55.5 Å²	55.5	30%	0.298	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.7	-176.7	-65.7	-169.1	178	-174.9	-1.3	111.4	I782 S820	I782-R822 CarbonylContact O-C 3.45Å; I782-R822 VanDerWaalsContact O-CA 3.27Å; I782-R822 WeakPolarHBondContact O-CA 3.38Å; S820-R822 PolarHBondContact O-N 3.18Å; S820-R822 PolarHBondContact OG-N 3.27Å; S820-R822 PolarHBondContact OG-O 3.43Å
823	V	81.1	Confident	75.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120	176.3	-174.8	0	0	0	0	108.5	Y772 G781 I782 F787 V815 A827 F828	Y772-V823 PolarHBondContact OH-O 3.22Å; G781-V823 WeakPolarHBondContact CA-O 3.46Å; I782-V823 PolarHBondContact N-O 2.75Å; I782-V823 PolarHBondContact O-N 3.09Å; F787-V823 HydrophobicContact CB-CG2 4.29Å; F787-V823 HydrophobicContact CD1-CG2 4.04Å; F787-V823 HydrophobicContact CD2-CB 3.97Å; F787-V823 HydrophobicContact CD2-CG1 4.02Å; F787-V823 HydrophobicContact CD2-CG2 3.96Å; F787-V823 HydrophobicContact CE1-CG2 4.4Å; F787-V823 HydrophobicContact CE2-CB 4.21Å; F787-V823 HydrophobicContact CE2-CG1 3.74Å; F787-V823 HydrophobicContact CE2-CG2 4.31Å; F787-V823 HydrophobicContact CG-CB 4.34Å; F787-V823 HydrophobicContact CG-CG2 3.82Å; F787-V823 HydrophobicContact CZ-CG1 4.17Å; V815-V823 HydrophobicContact CB-CG1 4.02Å; V815-V823 HydrophobicContact CB-CG2 4.5Å; V815-V823 HydrophobicContact CG1-CG1 3.57Å; V823-A827 HydrophobicContact CG1-CB 4.46Å; V823-F828 HydrophobicContact CG1-CB 3.95Å
824	Q	81.4	Confident	74.8	Confident	110 Å²	110	56.6 Å²	56.6	51%	0.514	29%	0.287	S	S	.	.			trans	-77.4	154.3	174.1	-66.4	-77.3	-32.3	0	0	110.5	Y772 Q780 D826 A827 F828	Y772-Q824 WeakPolarHBondContact OH-CA 3.31Å; Q780-Q824 PolarHBondContact O-NE2 3.01Å; Q824-D826 VanDerWaalsContact C-N 3.27Å; Q824-D826 PolarHBondContact O-N 3.35Å; Q824-A827 PolarHBondContact O-N 3.38Å; Q824-A827 VanDerWaalsContact O-N 3.12Å; Q824-F828 PolarHBondContact O-N 2.68Å
825	F	76.7	Confident	74.1	Confident	24 Å²	24	58.1 Å²	58.1	11%	0.105	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-41.9	-177.1	-176.7	-114.4	0	0	0	112	R769 Y772 A827 F828 L829	R769-F825 HydrophobicContact CB-CE2 4.1Å; R769-F825 HydrophobicContact CB-CZ 3.82Å; R769-F825 HydrophobicContact CG-CE2 4.21Å; R769-F825 HydrophobicContact CG-CZ 3.94Å; Y772-F825 HydrophobicContact CD1-CB 4.19Å; Y772-F825 AromaticContact CD1-CD2 3.63Å; Y772-F825 HydrophobicContact CD1-CD2 3.63Å; Y772-F825 HydrophobicContact CD1-CE2 4.47Å; Y772-F825 HydrophobicContact CD1-CG 4.29Å; Y772-F825 HydrophobicContact CD2-CB 4.46Å; Y772-F825 AromaticContact CD2-CD2 3.71Å; Y772-F825 HydrophobicContact CD2-CD2 3.71Å; Y772-F825 HydrophobicContact CE1-CB 3.82Å; Y772-F825 HydrophobicContact CE1-CD2 4.15Å; Y772-F825 HydrophobicContact CE1-CG 4.41Å; Y772-F825 HydrophobicContact CE2-CB 4.09Å; Y772-F825 HydrophobicContact CE2-CD2 4.2Å; Y772-F825 AromaticContact CG-CD2 3.41Å; Y772-F825 HydrophobicContact CG-CD2 3.41Å; Y772-F825 VanDerWaalsContact CG-CD2 3.41Å; Y772-F825 HydrophobicContact CG-CE2 4.08Å; Y772-F825 HydrophobicContact CG-CG 4.4Å; Y772-F825 PolarHBondContact OH-N 2.69Å; F825-A827 VanDerWaalsContact C-N 3.33Å; F825-A827 PolarHBondContact O-N 2.72Å; F825-F828 AromaticContact CD2-CD1 3.99Å; F825-F828 HydrophobicContact CD2-CD1 3.99Å; F825-F828 HydrophobicContact CE2-CD1 4.08Å; F825-F828 HydrophobicContact CE2-CE1 4.19Å; F825-F828 PolarHBondContact O-N 2.73Å; F825-L829 HydrophobicContact CE1-CD2 4.26Å; F825-L829 HydrophobicContact CZ-CD1 4.06Å; F825-L829 VanDerWaalsContact O-CB 3.29Å; F825-L829 WeakPolarHBondContact O-CB 3.34Å; F825-L829 PolarHBondContact O-N 2.68Å
826	D	69.3	Low	73.3	Confident	89 Å²	89	61.4 Å²	61.4	48%	0.476	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-41.2	179.6	-63.5	-28.2	0	0	0	112.3	Q824 D830	Q824-D826 VanDerWaalsContact C-N 3.27Å; Q824-D826 PolarHBondContact O-N 3.35Å; D826-D830 VanDerWaalsContact O-CB 3.3Å; D826-D830 WeakPolarHBondContact O-CB 3.41Å; D826-D830 PolarHBondContact O-N 2.92Å
827	A	75.3	Confident	72.2	Confident	32 Å²	32	62.5 Å²	62.5	26%	0.264	32%	0.318	S	S	.	.	H	α-helix	trans	-71.1	-41.7	-179.8	0	0	0	0	0	111.3	V815 V823 Q824 F825 D830 F831	V815-A827 HydrophobicContact CG1-CB 3.77Å; V815-A827 WeakPolarHBondContact CG1-O 3.14Å; V815-A827 WeakPolarHBondContact O-CB 3.5Å; V823-A827 HydrophobicContact CG1-CB 4.46Å; Q824-A827 PolarHBondContact O-N 3.38Å; Q824-A827 VanDerWaalsContact O-N 3.12Å; F825-A827 VanDerWaalsContact C-N 3.33Å; F825-A827 PolarHBondContact O-N 2.72Å; A827-D830 WeakPolarHBondContact O-CB 3.14Å; A827-D830 PolarHBondContact O-N 3.18Å; A827-F831 PolarHBondContact O-N 3.49Å; A827-F831 VanDerWaalsContact O-N 3.15Å
828	F	78.5	Confident	71.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.4	-48.4	174.2	158.1	-110.1	0	0	0	111.9	F768 Y772 F787 L791 L794 V823 Q824 F825 D830 F831 M832	F768-F828 HydrophobicContact CB-CE1 3.93Å; F768-F828 HydrophobicContact CB-CZ 4.22Å; F768-F828 HydrophobicContact CD1-CZ 4.42Å; F768-F828 HydrophobicContact CG-CZ 4.5Å; Y772-F828 HydrophobicContact CD2-CB 4.1Å; Y772-F828 AromaticContact CD2-CD1 3.52Å; Y772-F828 HydrophobicContact CD2-CD1 3.52Å; Y772-F828 HydrophobicContact CD2-CE1 4.2Å; Y772-F828 AromaticContact CD2-CG 3.93Å; Y772-F828 HydrophobicContact CD2-CG 3.93Å; Y772-F828 HydrophobicContact CE2-CB 4.15Å; Y772-F828 HydrophobicContact CE2-CD1 4.35Å; Y772-F828 HydrophobicContact CE2-CG 4.48Å; Y772-F828 HydrophobicContact CG-CD1 4.22Å; F787-F828 HydrophobicContact CE2-CB 4Å; F787-F828 AromaticContact CE2-CD2 3.56Å; F787-F828 HydrophobicContact CE2-CD2 3.56Å; F787-F828 HydrophobicContact CE2-CE2 4.49Å; F787-F828 HydrophobicContact CE2-CG 4.13Å; F787-F828 HydrophobicContact CZ-CD2 4.13Å; L791-F828 HydrophobicContact CD2-CE2 4.33Å; L794-F828 HydrophobicContact CD1-CE1 4.49Å; L794-F828 HydrophobicContact CD1-CE2 3.86Å; L794-F828 HydrophobicContact CD1-CZ 3.37Å; V823-F828 HydrophobicContact CG1-CB 3.95Å; Q824-F828 PolarHBondContact O-N 2.68Å; F825-F828 AromaticContact CD2-CD1 3.99Å; F825-F828 HydrophobicContact CD2-CD1 3.99Å; F825-F828 HydrophobicContact CE2-CD1 4.08Å; F825-F828 HydrophobicContact CE2-CE1 4.19Å; F825-F828 PolarHBondContact O-N 2.73Å; F828-D830 PolarHBondContact O-N 2.62Å; F828-F831 PolarHBondContact O-N 2.69Å; F828-M832 HydrophobicContact CD2-CG 4Å; F828-M832 HydrophobicContact CE2-CG 3.42Å; F828-M832 VanDerWaalsContact CE2-CG 3.42Å; F828-M832 HydrophobicContact CE2-SD 3.98Å; F828-M832 HydrophobicContact CZ-CG 3.74Å; F828-M832 WeakPolarHBondContact O-CG 3.3Å; F828-M832 PolarHBondContact O-N 2.94Å; F828-M832 VanDerWaalsContact O-N 3.15Å
829	L	74.9	Confident	70.3	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-42.5	-179.8	-166.8	73.8	0	0	0	110.1	L753 L765 F768 F825 F831 M832 T833	L753-L829 HydrophobicContact CD1-CD2 3.7Å; L765-L829 HydrophobicContact CD1-CD1 3.96Å; L765-L829 HydrophobicContact CD1-CD2 4.06Å; L765-L829 HydrophobicContact CD1-CG 4.48Å; L765-L829 HydrophobicContact CG-CD1 4.38Å; F768-L829 HydrophobicContact CB-CD1 4.07Å; F768-L829 HydrophobicContact CD2-CD1 3.79Å; F768-L829 HydrophobicContact CG-CD1 4.36Å; F825-L829 HydrophobicContact CE1-CD2 4.26Å; F825-L829 HydrophobicContact CZ-CD1 4.06Å; F825-L829 VanDerWaalsContact O-CB 3.29Å; F825-L829 WeakPolarHBondContact O-CB 3.34Å; F825-L829 PolarHBondContact O-N 2.68Å; L829-F831 PolarHBondContact O-N 3.36Å; L829-M832 PolarHBondContact O-N 2.88Å; L829-M832 VanDerWaalsContact O-N 3.17Å; L829-T833 HydrophobicContact CG-CG2 4.3Å; L829-T833 WeakPolarHBondContact O-CG2 3.4Å; L829-T833 PolarHBondContact O-N 2.83Å; L829-T833 PolarHBondContact O-OG1 3.44Å
830	D	68.8	Low	69.8	Low	23 Å²	23	54.7 Å²	54.7	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-44	179.1	-154	54.1	0	0	0	113.1	R361 D826 A827 F828 M832 T833 R834	R361-D830 VanDerWaalsContact CD-OD1 3.26Å; R361-D830 WeakPolarHBondContact CD-OD1 3.44Å; R361-D830 WeakPolarHBondContact CD-OD2 3.31Å; R361-D830 VanDerWaalsContact CG-OD1 3.3Å; R361-D830 WeakPolarHBondContact CG-OD1 3.37Å; R361-D830 WeakPolarHBondContact CG-OD2 3.09Å; R361-D830 IonicContact CZ-OD1 2.67Å; R361-D830 IonicContact NE-OD1 3.79Å; R361-D830 PolarHBondContact NE-OD1 3.38Å; R361-D830 IonicContact NE-OD2 3.83Å; R361-D830 PolarHBondContact NE-OD2 3.14Å; R361-D830 IonicContact NH2-OD1 3.57Å; D826-D830 VanDerWaalsContact O-CB 3.3Å; D826-D830 WeakPolarHBondContact O-CB 3.41Å; D826-D830 PolarHBondContact O-N 2.92Å; A827-D830 WeakPolarHBondContact O-CB 3.14Å; A827-D830 PolarHBondContact O-N 3.18Å; F828-D830 PolarHBondContact O-N 2.62Å; D830-M832 PolarHBondContact O-N 2.69Å; D830-T833 WeakPolarHBondContact CA-OG1 3.22Å; D830-T833 PolarHBondContact O-N 3.39Å; D830-T833 PolarHBondContact O-OG1 3.42Å; D830-R834 PolarHBondContact O-N 3.4Å
831	F	76	Confident	69.5	Low	15 Å²	15	54.3 Å²	54.3	7%	0.066	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-47.3	173.6	175.4	-100.9	0	0	0	112	L791 Y796 I811 V815 A827 F828 L829 T833 R834 E835	L791-F831 HydrophobicContact CD2-CD1 4.04Å; L791-F831 HydrophobicContact CD2-CE1 3.83Å; Y796-F831 HydrophobicContact CE1-CE1 4.25Å; Y796-F831 HydrophobicContact CE1-CZ 4.1Å; Y796-F831 AromaticContact CE2-CE1 4Å; Y796-F831 HydrophobicContact CE2-CE1 4Å; Y796-F831 HydrophobicContact CE2-CZ 4.31Å; Y796-F831 AromaticContact CZ-CE1 3.85Å; Y796-F831 AromaticContact CZ-CZ 3.73Å; Y796-F831 WeakPolarHBondContact OH-CZ 3.3Å; I811-F831 HydrophobicContact CB-CE2 4.26Å; I811-F831 HydrophobicContact CB-CZ 4.28Å; I811-F831 HydrophobicContact CD1-CE1 4.34Å; I811-F831 HydrophobicContact CD1-CE2 4.37Å; I811-F831 HydrophobicContact CD1-CZ 3.68Å; I811-F831 HydrophobicContact CG1-CE2 3.81Å; I811-F831 HydrophobicContact CG1-CZ 3.64Å; I811-F831 HydrophobicContact CG2-CD1 4.23Å; I811-F831 HydrophobicContact CG2-CD2 4.01Å; I811-F831 HydrophobicContact CG2-CE1 3.92Å; I811-F831 HydrophobicContact CG2-CE2 3.69Å; I811-F831 HydrophobicContact CG2-CG 4.28Å; I811-F831 HydrophobicContact CG2-CZ 3.64Å; V815-F831 HydrophobicContact CG1-CB 4.23Å; A827-F831 PolarHBondContact O-N 3.49Å; A827-F831 VanDerWaalsContact O-N 3.15Å; F828-F831 PolarHBondContact O-N 2.69Å; L829-F831 PolarHBondContact O-N 3.36Å; F831-T833 VanDerWaalsContact C-N 3.33Å; F831-T833 PolarHBondContact O-N 2.72Å; F831-R834 PolarHBondContact O-N 2.83Å; F831-E835 HydrophobicContact CE2-CG 4.45Å; F831-E835 HydrophobicContact CZ-CG 4.36Å; F831-E835 PolarHBondContact O-N 2.88Å
832	M	75.5	Confident	69.5	Low	12 Å²	12	53 Å²	53	6%	0.059	27%	0.265	C	S	.	.	H	α-helix	trans	-65	-36.3	179.5	-66.1	-60.3	-66.2	0	0	112.6	F768 L791 L794 Y796 F828 L829 D830 T836	F768-M832 HydrophobicContact CD1-CE 4.13Å; F768-M832 HydrophobicContact CD2-CB 4.48Å; F768-M832 HydrophobicContact CE1-CB 4.4Å; F768-M832 HydrophobicContact CE1-CE 3.39Å; F768-M832 HydrophobicContact CE1-CG 4.43Å; F768-M832 HydrophobicContact CE2-CB 4.06Å; F768-M832 HydrophobicContact CZ-CB 4.01Å; F768-M832 HydrophobicContact CZ-CE 3.81Å; L791-M832 HydrophobicContact CD2-SD 3.81Å; L794-M832 HydrophobicContact CB-CE 4.33Å; L794-M832 HydrophobicContact CD1-CE 4.42Å; Y796-M832 HydrophobicContact CD2-CE 4.32Å; Y796-M832 HydrophobicContact CD2-SD 4.16Å; F828-M832 HydrophobicContact CD2-CG 4Å; F828-M832 HydrophobicContact CE2-CG 3.42Å; F828-M832 VanDerWaalsContact CE2-CG 3.42Å; F828-M832 HydrophobicContact CE2-SD 3.98Å; F828-M832 HydrophobicContact CZ-CG 3.74Å; F828-M832 WeakPolarHBondContact O-CG 3.3Å; F828-M832 PolarHBondContact O-N 2.94Å; F828-M832 VanDerWaalsContact O-N 3.15Å; L829-M832 PolarHBondContact O-N 2.88Å; L829-M832 VanDerWaalsContact O-N 3.17Å; D830-M832 PolarHBondContact O-N 2.69Å; M832-T836 PolarHBondContact O-OG1 3.48Å
833	T	68.5	Low	69.6	Low	4 Å²	4	56.1 Å²	56.1	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-40.6	178.6	65.7	0	0	0	0	112.2	I760 L829 D830 F831 E835 T836 L837	I760-T833 HydrophobicContact CD1-CG2 3.03Å; L829-T833 HydrophobicContact CG-CG2 4.3Å; L829-T833 WeakPolarHBondContact O-CG2 3.4Å; L829-T833 PolarHBondContact O-N 2.83Å; L829-T833 PolarHBondContact O-OG1 3.44Å; D830-T833 WeakPolarHBondContact CA-OG1 3.22Å; D830-T833 PolarHBondContact O-N 3.39Å; D830-T833 PolarHBondContact O-OG1 3.42Å; F831-T833 VanDerWaalsContact C-N 3.33Å; F831-T833 PolarHBondContact O-N 2.72Å; T833-E835 VanDerWaalsContact C-N 3.34Å; T833-E835 PolarHBondContact O-N 3.41Å; T833-T836 PolarHBondContact O-N 3.19Å; T833-T836 PolarHBondContact O-OG1 2.77Å; T833-L837 VanDerWaalsContact O-CD1 3.29Å; T833-L837 WeakPolarHBondContact O-CD1 3.38Å; T833-L837 VanDerWaalsContact O-CG 3.26Å; T833-L837 WeakPolarHBondContact O-CG 3.47Å; T833-L837 PolarHBondContact O-N 3.3Å
834	R	66.5	Low	69.5	Low	121 Å²	121	60 Å²	60	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-36.2	-179.6	-102.2	178.3	154.2	-175.9	-6	113.7	N364 D830 F831 T836 M839	N364-R834 PolarHBondContact OD1-NE 3.39Å; N364-R834 VanDerWaalsContact OD1-NE 3.11Å; N364-R834 PolarHBondContact OD1-NH2 3.06Å; D830-R834 PolarHBondContact O-N 3.4Å; F831-R834 PolarHBondContact O-N 2.83Å; R834-T836 VanDerWaalsContact C-N 3.33Å; R834-M839 HydrophobicContact CG-SD 4.42Å
835	E	64.3	Low	69.6	Low	123 Å²	123	55 Å²	55	58%	0.575	28%	0.278	S	S	*	.	H	α-helix	trans	-77	-18.2	-179.3	-80.7	-83.9	151.7	0	0	113.8	Y796 F831 T833	Y796-E835 HydrophobicContact CE2-CB 4.27Å; Y796-E835 HydrophobicContact CE2-CG 4.21Å; Y796-E835 WeakPolarHBondContact OH-CG 3.46Å; Y796-E835 PolarHBondContact OH-OE1 2.81Å; Y796-E835 PolarHBondContact OH-OE2 2.87Å; F831-E835 HydrophobicContact CE2-CG 4.45Å; F831-E835 HydrophobicContact CZ-CG 4.36Å; F831-E835 PolarHBondContact O-N 2.88Å; T833-E835 VanDerWaalsContact C-N 3.34Å; T833-E835 PolarHBondContact O-N 3.41Å
836	T	58	Low	70	Confident	79 Å²	79	54.5 Å²	54.5	49%	0.485	28%	0.276	S	S	.	.	H	α-helix	trans	-101.2	-8.9	-176.5	44.4	0	0	0	0	114	M832 T833 R834	M832-T836 PolarHBondContact O-OG1 3.48Å; T833-T836 PolarHBondContact O-N 3.19Å; T833-T836 PolarHBondContact O-OG1 2.77Å; R834-T836 VanDerWaalsContact C-N 3.33Å
837	L	55.1	Low	70.6	Confident	34 Å²	34	54.8 Å²	54.8	18%	0.178	28%	0.275	C	S	.	.			trans	-104.5	124.9	-174	-71	166.5	0	0	0	111.9	K758 T833 M839	K758-L837 WeakPolarHBondContact O-CD2 3.41Å; T833-L837 VanDerWaalsContact O-CD1 3.29Å; T833-L837 WeakPolarHBondContact O-CD1 3.38Å; T833-L837 VanDerWaalsContact O-CG 3.26Å; T833-L837 WeakPolarHBondContact O-CG 3.47Å; T833-L837 PolarHBondContact O-N 3.3Å; L837-M839 HydrophobicContact CB-CG 3.73Å; L837-M839 HydrophobicContact CB-SD 4.47Å; L837-M839 WeakPolarHBondContact O-CG 3.15Å; L837-M839 PolarHBondContact O-N 3.5Å; L837-M839 VanDerWaalsContact O-N 3.07Å
838	D	50.9	Low	71	Confident	182 Å²	182	53.5 Å²	53.5	97%	0.973	26%	0.264	S	S	*	.			trans	-71.1	95.9	161.4	-117.2	-16.1	0	0	0	107.3
839	M	54.3	Low	71.4	Confident	44 Å²	44	53.6 Å²	53.6	22%	0.217	26%	0.264	C	S	.	.			trans	-92.5	132.4	-174.1	-58.9	-164.7	79.6	0	0	111.1	L362 N364 R834 L837 N841	L362-M839 WeakPolarHBondContact O-CE 3.47Å; N364-M839 HydrophobicContact CB-CE 3.65Å; N364-M839 HydrophobicContact CB-SD 4.08Å; N364-M839 VanDerWaalsContact CG-SD 3.56Å; N364-M839 PolarHBondContact ND2-SD 3.23Å; N364-M839 VanDerWaalsContact ND2-SD 3.38Å; R834-M839 HydrophobicContact CG-SD 4.42Å; L837-M839 HydrophobicContact CB-CG 3.73Å; L837-M839 HydrophobicContact CB-SD 4.47Å; L837-M839 WeakPolarHBondContact O-CG 3.15Å; L837-M839 PolarHBondContact O-N 3.5Å; L837-M839 VanDerWaalsContact O-N 3.07Å; M839-N841 PolarHBondContact O-N 2.68Å
840	D	59.8	Low	71.9	Confident	68 Å²	68	58.1 Å²	58.1	36%	0.364	28%	0.282	S	S	.	.			trans	-55.4	122.8	172.8	-62	-40.3	0	0	0	109	Y903	D840-Y903 WeakPolarHBondContact O-CE1 3.25Å; D840-Y903 PolarHBondContact O-OH 3.18Å
841	N	69.1	Low	72.5	Confident	71 Å²	71	58.6 Å²	58.6	38%	0.38	29%	0.285	S	S	.	.			trans	-106.7	164.8	-175	63.4	12.1	0	0	0	112.2	M839 E843 Q844 I845	M839-N841 PolarHBondContact O-N 2.68Å; N841-E843 PolarHBondContact O-N 3.4Å; N841-Q844 PolarHBondContact O-N 3.21Å; N841-Q844 VanDerWaalsContact OD1-CB 3.25Å; N841-Q844 WeakPolarHBondContact OD1-CB 3.45Å; N841-Q844 VanDerWaalsContact OD1-CG 3.26Å; N841-Q844 WeakPolarHBondContact OD1-CG 3.25Å; N841-Q844 PolarHBondContact OD1-N 3.16Å; N841-I845 PolarHBondContact O-N 3.25Å
842	A	77.4	Confident	72.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-39.5	-179	0	0	0	0	0	111.6	Q844 I845 I846 Y903 E905	A842-Q844 PolarHBondContact O-N 2.82Å; A842-I845 PolarHBondContact O-N 3.02Å; A842-I846 VanDerWaalsContact O-CG1 3.22Å; A842-I846 WeakPolarHBondContact O-CG1 2.95Å; A842-I846 PolarHBondContact O-N 3.05Å; A842-Y903 HydrophobicContact CB-CD2 3.82Å; A842-Y903 HydrophobicContact CB-CG 4.25Å; A842-E905 WeakPolarHBondContact CB-OE2 3.49Å
843	E	80.6	Confident	73.1	Confident	145 Å²	145	57.8 Å²	57.8	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-42.2	178	-78.3	-149.8	156.7	0	0	113.6	N841 I845 I846 E847	N841-E843 PolarHBondContact O-N 3.4Å; E843-I845 VanDerWaalsContact C-N 3.26Å; E843-I845 PolarHBondContact O-N 3.35Å; E843-I846 WeakPolarHBondContact O-CB 3.09Å; E843-I846 PolarHBondContact O-N 3.38Å; E843-E847 PolarHBondContact O-N 3.45Å
844	Q	78.9	Confident	73.7	Confident	83 Å²	83	62.9 Å²	62.9	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-35.6	177	-86.7	175.3	-11.9	0	0	112.3	N841 A842 S848	N841-Q844 PolarHBondContact O-N 3.21Å; N841-Q844 VanDerWaalsContact OD1-CB 3.25Å; N841-Q844 WeakPolarHBondContact OD1-CB 3.45Å; N841-Q844 VanDerWaalsContact OD1-CG 3.26Å; N841-Q844 WeakPolarHBondContact OD1-CG 3.25Å; N841-Q844 PolarHBondContact OD1-N 3.16Å; A842-Q844 PolarHBondContact O-N 2.82Å; Q844-S848 WeakPolarHBondContact O-CB 3.29Å; Q844-S848 PolarHBondContact O-N 3.29Å; Q844-S848 PolarHBondContact O-OG 3.3Å
845	I	82.3	Confident	74.3	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-74.2	-38.8	176.3	-67.4	-68.8	0	0	0	111	V280 N841 A842 E843 E847 S848 F849 S899 Y903	V280-I845 HydrophobicContact CB-CD1 3.95Å; V280-I845 HydrophobicContact CG1-CD1 4.22Å; V280-I845 HydrophobicContact CG2-CD1 3.55Å; V280-I845 HydrophobicContact CG2-CG1 4.22Å; N841-I845 PolarHBondContact O-N 3.25Å; A842-I845 PolarHBondContact O-N 3.02Å; E843-I845 VanDerWaalsContact C-N 3.26Å; E843-I845 PolarHBondContact O-N 3.35Å; I845-E847 VanDerWaalsContact C-N 3.32Å; I845-E847 PolarHBondContact O-N 3.35Å; I845-S848 WeakPolarHBondContact O-CB 3.38Å; I845-S848 PolarHBondContact O-N 3.44Å; I845-F849 HydrophobicContact CG2-CD2 3.66Å; I845-F849 HydrophobicContact CG2-CE2 3.55Å; I845-F849 VanDerWaalsContact O-CD2 3.32Å; I845-F849 WeakPolarHBondContact O-CD2 3.14Å; I845-F849 PolarHBondContact O-N 2.74Å; I845-S899 WeakPolarHBondContact CG2-OG 3.36Å; I845-Y903 HydrophobicContact CG1-CE2 4.1Å
846	I	85.8	Confident	75.2	Confident	13 Å²	13	57 Å²	57	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-44.8	172.8	-70.2	165.5	0	0	0	110.6	A842 E843 S848 F849 R850 Y895 V896 S899	A842-I846 VanDerWaalsContact O-CG1 3.22Å; A842-I846 WeakPolarHBondContact O-CG1 2.95Å; A842-I846 PolarHBondContact O-N 3.05Å; E843-I846 WeakPolarHBondContact O-CB 3.09Å; E843-I846 PolarHBondContact O-N 3.38Å; I846-S848 VanDerWaalsContact C-N 3.33Å; I846-F849 PolarHBondContact O-N 3.27Å; I846-R850 WeakPolarHBondContact O-CB 3.37Å; I846-R850 PolarHBondContact O-N 3.41Å; I846-Y895 HydrophobicContact CG2-CE2 4.09Å; I846-Y895 WeakPolarHBondContact O-CE2 3.36Å; I846-V896 HydrophobicContact CD1-CG1 4.09Å; I846-V896 HydrophobicContact CG2-CG2 4.09Å; I846-S899 VanDerWaalsContact CG1-CB 3.47Å
847	E	83.1	Confident	76.5	Confident	95 Å²	95	56.4 Å²	56.4	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178.4	-151.2	63.1	-140.7	0	0	110.8	E843 I845 F849 R850 V851	E843-E847 PolarHBondContact O-N 3.45Å; I845-E847 VanDerWaalsContact C-N 3.32Å; I845-E847 PolarHBondContact O-N 3.35Å; E847-F849 PolarHBondContact O-N 3.29Å; E847-R850 WeakPolarHBondContact O-CB 3.11Å; E847-R850 PolarHBondContact O-N 2.66Å; E847-R850 IonicContact OE1-CZ 2.92Å; E847-R850 IonicContact OE1-NH1 3.86Å; E847-R850 PolarHBondContact OE1-NH1 3Å; E847-R850 IonicContact OE2-CZ 2.75Å; E847-R850 IonicContact OE2-NH1 3.82Å; E847-R850 PolarHBondContact OE2-NH1 3.49Å; E847-V851 WeakPolarHBondContact O-CG2 3.3Å; E847-V851 PolarHBondContact O-N 2.75Å
848	S	83.6	Confident	78.1	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-43.5	174.9	-56.5	0	0	0	0	111.7	A273 Q844 I845 I846 V851 L852	A273-S848 WeakPolarHBondContact CB-O 3.47Å; Q844-S848 WeakPolarHBondContact O-CB 3.29Å; Q844-S848 PolarHBondContact O-N 3.29Å; Q844-S848 PolarHBondContact O-OG 3.3Å; I845-S848 WeakPolarHBondContact O-CB 3.38Å; I845-S848 PolarHBondContact O-N 3.44Å; I846-S848 VanDerWaalsContact C-N 3.33Å; S848-V851 PolarHBondContact O-N 3.05Å; S848-L852 PolarHBondContact O-N 2.58Å
849	F	85.8	Confident	79.8	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-33.9	175	-82.8	-64.9	0	0	0	112.6	I277 I845 I846 E847 V851 L852 A853 I859 L864 M880 Y895 F898	I277-F849 HydrophobicContact CB-CZ 4.4Å; I277-F849 HydrophobicContact CD1-CB 4.4Å; I277-F849 HydrophobicContact CD1-CD1 3.54Å; I277-F849 HydrophobicContact CD1-CD2 3.98Å; I277-F849 HydrophobicContact CD1-CE1 3.65Å; I277-F849 HydrophobicContact CD1-CE2 4.1Å; I277-F849 HydrophobicContact CD1-CG 3.69Å; I277-F849 HydrophobicContact CD1-CZ 3.94Å; I277-F849 HydrophobicContact CG1-CD1 4.44Å; I277-F849 HydrophobicContact CG1-CD2 4.26Å; I277-F849 HydrophobicContact CG1-CE1 4.19Å; I277-F849 HydrophobicContact CG1-CE2 4.02Å; I277-F849 HydrophobicContact CG1-CG 4.46Å; I277-F849 HydrophobicContact CG1-CZ 3.97Å; I277-F849 HydrophobicContact CG2-CE1 3.79Å; I277-F849 HydrophobicContact CG2-CE2 4.32Å; I277-F849 HydrophobicContact CG2-CZ 3.53Å; I845-F849 HydrophobicContact CG2-CD2 3.66Å; I845-F849 HydrophobicContact CG2-CE2 3.55Å; I845-F849 VanDerWaalsContact O-CD2 3.32Å; I845-F849 WeakPolarHBondContact O-CD2 3.14Å; I845-F849 PolarHBondContact O-N 2.74Å; I846-F849 PolarHBondContact O-N 3.27Å; E847-F849 PolarHBondContact O-N 3.29Å; F849-V851 VanDerWaalsContact C-N 3.28Å; F849-V851 PolarHBondContact O-N 3.17Å; F849-L852 HydrophobicContact CD1-CD1 4.15Å; F849-L852 PolarHBondContact O-N 2.66Å; F849-A853 WeakPolarHBondContact O-CB 3.43Å; F849-A853 PolarHBondContact O-N 3.49Å; F849-I859 HydrophobicContact CD1-CD1 4.27Å; F849-L864 HydrophobicContact CE1-CD2 4.19Å; F849-M880 HydrophobicContact CD1-CE 4.06Å; F849-M880 HydrophobicContact CE1-CE 3.41Å; F849-M880 VanDerWaalsContact CE1-CE 3.41Å; F849-M880 HydrophobicContact CE2-CE 4Å; F849-M880 HydrophobicContact CZ-CE 3.38Å; F849-Y895 HydrophobicContact CB-CD1 4.27Å; F849-Y895 HydrophobicContact CB-CD2 3.28Å; F849-Y895 HydrophobicContact CB-CE2 3.86Å; F849-Y895 HydrophobicContact CB-CG 3.51Å; F849-Y895 HydrophobicContact CG-CD2 4.15Å; F849-Y895 HydrophobicContact CG-CG 4.11Å; F849-F898 HydrophobicContact CE2-CD1 4.2Å; F849-F898 HydrophobicContact CE2-CE1 4.35Å; F849-F898 HydrophobicContact CZ-CD1 4.36Å; F849-F898 HydrophobicContact CZ-CE1 4.23Å
850	R	85.4	Confident	81.3	Confident	98 Å²	98	46.3 Å²	46.3	37%	0.37	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-37.6	175.4	-172.9	-177.2	-72	147.6	1.6	111.2	I846 E847 A853 N854 G855 Y895	I846-R850 WeakPolarHBondContact O-CB 3.37Å; I846-R850 PolarHBondContact O-N 3.41Å; E847-R850 WeakPolarHBondContact O-CB 3.11Å; E847-R850 PolarHBondContact O-N 2.66Å; E847-R850 IonicContact OE1-CZ 2.92Å; E847-R850 IonicContact OE1-NH1 3.86Å; E847-R850 PolarHBondContact OE1-NH1 3Å; E847-R850 IonicContact OE2-CZ 2.75Å; E847-R850 IonicContact OE2-NH1 3.82Å; E847-R850 PolarHBondContact OE2-NH1 3.49Å; R850-A853 PolarHBondContact O-N 2.87Å; R850-N854 PolarHBondContact O-N 2.93Å; R850-G855 PolarHBondContact O-N 3.29Å; R850-Y895 HydrophobicContact CB-CE2 4.29Å
851	V	81.8	Confident	82.5	Confident	33 Å²	33	43.3 Å²	43.3	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-49.6	173.3	174.5	0	0	0	0	110.6	E269 A270 A273 E847 S848 F849 A853 N854	E269-V851 HydrophobicContact CB-CG1 3.92Å; A270-V851 HydrophobicContact CB-CG1 4.22Å; A273-V851 HydrophobicContact CB-CB 4.18Å; A273-V851 HydrophobicContact CB-CG1 4.27Å; E847-V851 WeakPolarHBondContact O-CG2 3.3Å; E847-V851 PolarHBondContact O-N 2.75Å; S848-V851 PolarHBondContact O-N 3.05Å; F849-V851 VanDerWaalsContact C-N 3.28Å; F849-V851 PolarHBondContact O-N 3.17Å; V851-A853 VanDerWaalsContact C-N 3.26Å; V851-A853 PolarHBondContact O-N 3.13Å; V851-N854 PolarHBondContact O-N 3.32Å
852	L	80.9	Confident	83.1	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-35.5	176.6	-71.3	169.9	0	0	0	113.1	A274 I277 S848 F849 N854 I859 E867	A274-L852 HydrophobicContact CB-CD2 4.28Å; I277-L852 HydrophobicContact CD1-CD1 3.23Å; I277-L852 HydrophobicContact CD1-CG 4.35Å; S848-L852 PolarHBondContact O-N 2.58Å; F849-L852 HydrophobicContact CD1-CD1 4.15Å; F849-L852 PolarHBondContact O-N 2.66Å; L852-N854 PolarHBondContact O-N 2.67Å; L852-I859 HydrophobicContact CB-CD1 3.97Å; L852-E867 HydrophobicContact CD2-CB 3.37Å; L852-E867 HydrophobicContact CD2-CG 3.72Å
853	A	82.8	Confident	83.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.8	177	0	0	0	0	0	113.5	F849 R850 V851 G855 K856 I859 Y895	F849-A853 WeakPolarHBondContact O-CB 3.43Å; F849-A853 PolarHBondContact O-N 3.49Å; R850-A853 PolarHBondContact O-N 2.87Å; V851-A853 VanDerWaalsContact C-N 3.26Å; V851-A853 PolarHBondContact O-N 3.13Å; A853-G855 PolarHBondContact O-N 3.36Å; A853-K856 HydrophobicContact CB-CB 4.36Å; A853-K856 WeakPolarHBondContact CB-O 3.17Å; A853-K856 WeakPolarHBondContact O-CB 3.42Å; A853-K856 WeakPolarHBondContact O-CE 3.2Å; A853-K856 PolarHBondContact O-N 3.1Å; A853-K856 VanDerWaalsContact O-N 3.12Å; A853-I859 HydrophobicContact CB-CB 4.29Å; A853-I859 HydrophobicContact CB-CG1 4.38Å; A853-Y895 HydrophobicContact CB-CE1 4Å
854	N	80.5	Confident	83.5	Confident	110 Å²	110	41.5 Å²	41.5	59%	0.588	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.3	-174.1	-81.7	-46.5	0	0	0	112.8	L266 R850 V851 L852 K856	L266-N854 VanDerWaalsContact CD2-OD1 3.3Å; L266-N854 WeakPolarHBondContact CD2-OD1 3.49Å; R850-N854 PolarHBondContact O-N 2.93Å; V851-N854 PolarHBondContact O-N 3.32Å; L852-N854 PolarHBondContact O-N 2.67Å; N854-K856 VanDerWaalsContact C-N 3.28Å; N854-K856 PolarHBondContact O-N 3.34Å
855	G	79	Confident	83.7	Confident	52 Å²	52	43 Å²	43	54%	0.536	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-0.9	178.6	0	0	0	0	0	115.5	R850 A853	R850-G855 PolarHBondContact O-N 3.29Å; A853-G855 PolarHBondContact O-N 3.36Å
856	K	84.6	Confident	83.6	Confident	70 Å²	70	50 Å²	50	30%	0.304	25%	0.253	S	S	.	.			trans	-74.3	145.5	177.2	-69.4	174.8	-80.7	172.3	0	110.8	A853 N854 F858 E863 Y895	A853-K856 HydrophobicContact CB-CB 4.36Å; A853-K856 WeakPolarHBondContact CB-O 3.17Å; A853-K856 WeakPolarHBondContact O-CB 3.42Å; A853-K856 WeakPolarHBondContact O-CE 3.2Å; A853-K856 PolarHBondContact O-N 3.1Å; A853-K856 VanDerWaalsContact O-N 3.12Å; N854-K856 VanDerWaalsContact C-N 3.28Å; N854-K856 PolarHBondContact O-N 3.34Å; K856-F858 HydrophobicContact CD-CE2 4.19Å; K856-F858 HydrophobicContact CD-CZ 4.07Å; K856-F858 PolarHBondContact O-N 2.77Å; K856-F858 VanDerWaalsContact O-N 3.16Å; K856-E863 IonicContact NZ-OE1 3.28Å; K856-E863 PolarHBondContact NZ-OE1 3.35Å; K856-E863 IonicContact NZ-OE2 3.52Å; K856-Y895 WeakPolarHBondContact O-CE1 3.4Å; K856-Y895 PolarHBondContact O-OH 3.3Å
857	P	85.4	Confident	83.2	Confident	65 Å²	65	53 Å²	53	42%	0.422	27%	0.266	S	S	.	.	S	Bend	trans	-73.3	0.2	177.4	30.8	-34.7	0	0	0	113.8
858	F	87.4	Confident	82.9	Confident	22 Å²	22	48.9 Å²	48.9	10%	0.096	25%	0.247	C	C	.	.	S	Bend	trans	-136.3	154.5	178.1	60.8	-96.5	0	0	0	109.9	K856 Y883 P889 F893	K856-F858 HydrophobicContact CD-CE2 4.19Å; K856-F858 HydrophobicContact CD-CZ 4.07Å; K856-F858 PolarHBondContact O-N 2.77Å; K856-F858 VanDerWaalsContact O-N 3.16Å; F858-Y883 HydrophobicContact CB-CD1 3.75Å; F858-Y883 HydrophobicContact CB-CD2 4.33Å; F858-Y883 HydrophobicContact CB-CE1 4.28Å; F858-Y883 HydrophobicContact CB-CG 3.79Å; F858-Y883 HydrophobicContact CD1-CD1 4.11Å; F858-Y883 HydrophobicContact CD1-CE1 4.03Å; F858-Y883 HydrophobicContact CG-CD1 4.25Å; F858-P889 HydrophobicContact CE2-CG 3.99Å; F858-P889 HydrophobicContact CZ-CG 4.24Å; F858-F893 WeakPolarHBondContact CA-O 3.13Å
859	I	87.6	Confident	82.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.8	176	-163.5	165.5	0	0	0	110.6	F849 L852 A853 E863 L864 M880 F893 Y895	F849-I859 HydrophobicContact CD1-CD1 4.27Å; L852-I859 HydrophobicContact CB-CD1 3.97Å; A853-I859 HydrophobicContact CB-CB 4.29Å; A853-I859 HydrophobicContact CB-CG1 4.38Å; I859-E863 HydrophobicContact CG1-CB 4.06Å; I859-L864 HydrophobicContact CD1-CD2 3.71Å; I859-L864 HydrophobicContact CD1-CG 3.93Å; I859-L864 HydrophobicContact CG1-CD2 4.41Å; I859-L864 HydrophobicContact CG1-CG 4.11Å; I859-L864 HydrophobicContact CG2-CD1 4.23Å; I859-L864 HydrophobicContact CG2-CG 4.35Å; I859-M880 HydrophobicContact CG2-SD 4.04Å; I859-F893 HydrophobicContact CG2-CB 4.05Å; I859-F893 PolarHBondContact N-O 3.29Å; I859-F893 PolarHBondContact O-N 3.33Å; I859-Y895 HydrophobicContact CB-CD1 4.05Å; I859-Y895 HydrophobicContact CG2-CD1 4.12Å
860	T	86.6	Confident	82.4	Confident	26 Å²	26	56.8 Å²	56.8	16%	0.16	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	158.4	179.9	62.6	0	0	0	0	112.3	E862 E863 L864	T860-E862 VanDerWaalsContact C-N 3.27Å; T860-E862 PolarHBondContact O-N 3.17Å; T860-E863 WeakPolarHBondContact CB-OE2 3.18Å; T860-E863 PolarHBondContact N-OE2 3.48Å; T860-E863 PolarHBondContact O-N 2.82Å; T860-E863 VanDerWaalsContact OG1-CG 3.23Å; T860-E863 WeakPolarHBondContact OG1-CG 3.36Å; T860-E863 PolarHBondContact OG1-N 3.41Å; T860-E863 PolarHBondContact OG1-OE2 3.29Å; T860-L864 PolarHBondContact O-N 3.29Å; T860-L864 VanDerWaalsContact O-N 3.12Å
861	A	85	Confident	82.1	Confident	5 Å²	5	58.1 Å²	58.1	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-36.2	176.2	0	0	0	0	0	113.1	R865 V877 F893	A861-R865 WeakPolarHBondContact O-CG 3.15Å; A861-R865 PolarHBondContact O-N 2.86Å; A861-R865 VanDerWaalsContact O-N 3.11Å; A861-V877 HydrophobicContact CB-CG2 4.02Å; A861-F893 HydrophobicContact CB-CE2 4.06Å
862	E	81.5	Confident	82.2	Confident	146 Å²	146	57.3 Å²	57.3	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-46.2	176.8	-112.2	105.1	-168	0	0	111.3	T860 L864 R865 Q866	T860-E862 VanDerWaalsContact C-N 3.27Å; T860-E862 PolarHBondContact O-N 3.17Å; E862-L864 VanDerWaalsContact C-N 3.34Å; E862-L864 PolarHBondContact O-N 3.31Å; E862-R865 PolarHBondContact O-N 3.39Å; E862-Q866 VanDerWaalsContact O-CB 3.31Å; E862-Q866 WeakPolarHBondContact O-CB 3.38Å; E862-Q866 PolarHBondContact O-N 3.07Å
863	E	82.9	Confident	82.3	Confident	31 Å²	31	56.9 Å²	56.9	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-43.4	179.2	-72.6	163.1	156	0	0	111.3	K856 I859 T860 R865 Q866 E867	K856-E863 IonicContact NZ-OE1 3.28Å; K856-E863 PolarHBondContact NZ-OE1 3.35Å; K856-E863 IonicContact NZ-OE2 3.52Å; I859-E863 HydrophobicContact CG1-CB 4.06Å; T860-E863 WeakPolarHBondContact CB-OE2 3.18Å; T860-E863 PolarHBondContact N-OE2 3.48Å; T860-E863 PolarHBondContact O-N 2.82Å; T860-E863 VanDerWaalsContact OG1-CG 3.23Å; T860-E863 WeakPolarHBondContact OG1-CG 3.36Å; T860-E863 PolarHBondContact OG1-N 3.41Å; T860-E863 PolarHBondContact OG1-OE2 3.29Å; E863-R865 PolarHBondContact O-N 3.39Å; E863-Q866 PolarHBondContact O-N 3.13Å; E863-E867 PolarHBondContact O-N 3.11Å; E863-E867 VanDerWaalsContact O-N 3.14Å
864	L	83	Confident	82.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-45.7	174.5	-74.7	167.1	0	0	0	112	F849 I859 T860 E862 Q866 L868 A873 C876 V877 M880	F849-L864 HydrophobicContact CE1-CD2 4.19Å; I859-L864 HydrophobicContact CD1-CD2 3.71Å; I859-L864 HydrophobicContact CD1-CG 3.93Å; I859-L864 HydrophobicContact CG1-CD2 4.41Å; I859-L864 HydrophobicContact CG1-CG 4.11Å; I859-L864 HydrophobicContact CG2-CD1 4.23Å; I859-L864 HydrophobicContact CG2-CG 4.35Å; T860-L864 PolarHBondContact O-N 3.29Å; T860-L864 VanDerWaalsContact O-N 3.12Å; E862-L864 VanDerWaalsContact C-N 3.34Å; E862-L864 PolarHBondContact O-N 3.31Å; L864-Q866 VanDerWaalsContact C-N 3.29Å; L864-Q866 PolarHBondContact O-N 3.27Å; L864-L868 HydrophobicContact CD2-CD1 3.63Å; L864-L868 VanDerWaalsContact O-CB 3.25Å; L864-L868 WeakPolarHBondContact O-CB 3.47Å; L864-L868 PolarHBondContact O-N 2.87Å; L864-A873 HydrophobicContact CB-CB 4.26Å; L864-A873 WeakPolarHBondContact O-CB 3.32Å; L864-C876 HydrophobicContact CD1-CB 3.89Å; L864-C876 HydrophobicContact CD2-CB 4.04Å; L864-V877 HydrophobicContact CD1-CG2 3.97Å; L864-M880 HydrophobicContact CD1-SD 4.31Å
865	R	83.6	Confident	82.8	Confident	115 Å²	115	56.8 Å²	56.8	43%	0.434	30%	0.298	S	S	.	.	H	α-helix	trans	-72.3	-21.9	-179.5	-71.8	-178.2	-172.7	124	-0	113.6	A861 E862 E863 A873 E874	A861-R865 WeakPolarHBondContact O-CG 3.15Å; A861-R865 PolarHBondContact O-N 2.86Å; A861-R865 VanDerWaalsContact O-N 3.11Å; E862-R865 PolarHBondContact O-N 3.39Å; E863-R865 PolarHBondContact O-N 3.39Å; R865-A873 HydrophobicContact CB-CB 4.35Å; R865-A873 HydrophobicContact CG-CB 3.81Å; R865-E874 IonicContact CZ-OE1 3.85Å; R865-E874 VanDerWaalsContact CZ-OE1 3.28Å; R865-E874 IonicContact NE-OE1 3.9Å; R865-E874 PolarHBondContact NE-OE1 3.34Å; R865-E874 IonicContact NH2-OE1 3.46Å; R865-E874 PolarHBondContact NH2-OE1 2.87Å
866	Q	79.6	Confident	83.1	Confident	152 Å²	152	54.3 Å²	54.3	71%	0.71	27%	0.272	S	S	*	.	H	α-helix	trans	-81.9	-36	-179.4	-164	172	3.9	0	0	111.6	E862 E863 L864	E862-Q866 VanDerWaalsContact O-CB 3.31Å; E862-Q866 WeakPolarHBondContact O-CB 3.38Å; E862-Q866 PolarHBondContact O-N 3.07Å; E863-Q866 PolarHBondContact O-N 3.13Å; L864-Q866 VanDerWaalsContact C-N 3.29Å; L864-Q866 PolarHBondContact O-N 3.27Å
867	E	77.3	Confident	83.3	Confident	75 Å²	75	52.4 Å²	52.4	35%	0.35	27%	0.266	S	S	.	.	H	α-helix	trans	-104.3	-20.8	-173.9	-58.5	-62.4	148.4	0	0	114.1	L852 E863	L852-E867 HydrophobicContact CD2-CB 3.37Å; L852-E867 HydrophobicContact CD2-CG 3.72Å; E863-E867 PolarHBondContact O-N 3.11Å; E863-E867 VanDerWaalsContact O-N 3.14Å
868	L	77.5	Confident	83.4	Confident	9 Å²	9	58 Å²	58	5%	0.047	28%	0.284	C	S	.	.	S	Bend	trans	-110.9	152.5	177.8	-59.4	168.8	0	0	0	111.8	A274 I277 L864 Q872 A873	A274-L868 HydrophobicContact CB-CD2 4.05Å; I277-L868 HydrophobicContact CB-CD2 4.34Å; I277-L868 HydrophobicContact CG2-CD1 4.12Å; I277-L868 HydrophobicContact CG2-CD2 3.9Å; L864-L868 HydrophobicContact CD2-CD1 3.63Å; L864-L868 VanDerWaalsContact O-CB 3.25Å; L864-L868 WeakPolarHBondContact O-CB 3.47Å; L864-L868 PolarHBondContact O-N 2.87Å; L868-Q872 HydrophobicContact CB-CB 4.31Å; L868-A873 HydrophobicContact CB-CB 4.33Å
869	P	77.1	Confident	83.3	Confident	73 Å²	73	62.6 Å²	62.6	47%	0.474	30%	0.301	S	S	.	.			trans	-53	144.3	167.2	-22.5	32.7	0	0	0	111.4	C278 D871 Q872 A873	C278-P869 WeakPolarHBondContact SG-CD 3Å; P869-D871 VanDerWaalsContact C-N 3.26Å; P869-D871 PolarHBondContact O-N 3.13Å; P869-D871 VanDerWaalsContact O-N 3.11Å; P869-Q872 HydrophobicContact CB-CG 4.29Å; P869-Q872 HydrophobicContact CG-CG 4.42Å; P869-Q872 WeakPolarHBondContact O-CA 2.96Å; P869-Q872 WeakPolarHBondContact O-CB 3.45Å; P869-Q872 PolarHBondContact O-N 3.17Å; P869-A873 PolarHBondContact O-N 3.32Å
870	V	80.2	Confident	83.4	Confident	100 Å²	100	63 Å²	63	61%	0.606	30%	0.303	S	S	*	.	H	α-helix	trans	-51.2	-44.6	-170.8	-176.1	0	0	0	0	112.7	Q872 A873 E874	V870-Q872 VanDerWaalsContact C-N 3.3Å; V870-Q872 PolarHBondContact O-N 3.28Å; V870-A873 PolarHBondContact O-N 3.46Å; V870-E874 WeakPolarHBondContact O-CG 3.39Å; V870-E874 PolarHBondContact O-N 3.19Å
871	D	79.9	Confident	83.5	Confident	125 Å²	125	63.8 Å²	63.8	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-37	-177.8	-36.4	-27.4	0	0	0	112.2	P869 Y875	P869-D871 VanDerWaalsContact C-N 3.26Å; P869-D871 PolarHBondContact O-N 3.13Å; P869-D871 VanDerWaalsContact O-N 3.11Å; D871-Y875 WeakPolarHBondContact O-CB 2.8Å; D871-Y875 PolarHBondContact O-N 3.4Å; D871-Y875 VanDerWaalsContact O-N 3.15Å
872	Q	83.8	Confident	83.6	Confident	17 Å²	17	67.9 Å²	67.9	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-75.9	-42	-179.6	-66.5	-92.8	-19.6	0	0	110.5	C278 L281 L868 P869 V870 Y875 C876	C278-Q872 PolarHBondContact O-NE2 3.4Å; C278-Q872 PolarHBondContact O-OE1 3.38Å; L281-Q872 HydrophobicContact CD1-CB 4.41Å; L868-Q872 HydrophobicContact CB-CB 4.31Å; P869-Q872 HydrophobicContact CB-CG 4.29Å; P869-Q872 HydrophobicContact CG-CG 4.42Å; P869-Q872 WeakPolarHBondContact O-CA 2.96Å; P869-Q872 WeakPolarHBondContact O-CB 3.45Å; P869-Q872 PolarHBondContact O-N 3.17Å; V870-Q872 VanDerWaalsContact C-N 3.3Å; V870-Q872 PolarHBondContact O-N 3.28Å; Q872-Y875 PolarHBondContact O-N 3.48Å; Q872-C876 PolarHBondContact O-N 3.04Å; Q872-C876 PolarHBondContact O-SG 2.78Å
873	A	83.7	Confident	83.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-46.7	175.2	0	0	0	0	0	111.5	L864 R865 L868 P869 V870 Y875 C876 V877	L864-A873 HydrophobicContact CB-CB 4.26Å; L864-A873 WeakPolarHBondContact O-CB 3.32Å; R865-A873 HydrophobicContact CB-CB 4.35Å; R865-A873 HydrophobicContact CG-CB 3.81Å; L868-A873 HydrophobicContact CB-CB 4.33Å; P869-A873 PolarHBondContact O-N 3.32Å; V870-A873 PolarHBondContact O-N 3.46Å; A873-Y875 VanDerWaalsContact C-N 3.33Å; A873-Y875 PolarHBondContact O-N 2.58Å; A873-C876 PolarHBondContact O-N 2.66Å; A873-V877 VanDerWaalsContact O-CG2 3.3Å; A873-V877 WeakPolarHBondContact O-CG2 3.33Å; A873-V877 PolarHBondContact O-N 3.27Å
874	E	87.5	Confident	83.6	Confident	85 Å²	85	70.6 Å²	70.6	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-36.2	177.6	-73.8	-63.9	141.3	0	0	112.2	R865 V870 V877 K878	R865-E874 IonicContact CZ-OE1 3.85Å; R865-E874 VanDerWaalsContact CZ-OE1 3.28Å; R865-E874 IonicContact NE-OE1 3.9Å; R865-E874 PolarHBondContact NE-OE1 3.34Å; R865-E874 IonicContact NH2-OE1 3.46Å; R865-E874 PolarHBondContact NH2-OE1 2.87Å; V870-E874 WeakPolarHBondContact O-CG 3.39Å; V870-E874 PolarHBondContact O-N 3.19Å; E874-V877 PolarHBondContact O-N 3.08Å; E874-K878 WeakPolarHBondContact O-CB 3.22Å; E874-K878 PolarHBondContact O-N 3.47Å
875	Y	85.8	Confident	83.2	Confident	24 Å²	24	71.4 Å²	71.4	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-62.7	-46.6	173	177.4	-93.1	0	0	0	112	L281 N284 Q285 E288 D871 Q872 A873 K878 R879 F898	L281-Y875 HydrophobicContact CD2-CD1 3.71Å; L281-Y875 HydrophobicContact CD2-CE1 3.64Å; N284-Y875 PolarHBondContact ND2-OH 3.41Å; Q285-Y875 HydrophobicContact CG-CD1 4.4Å; Q285-Y875 HydrophobicContact CG-CD2 3.61Å; Q285-Y875 HydrophobicContact CG-CE1 4.4Å; Q285-Y875 HydrophobicContact CG-CE2 3.63Å; Q285-Y875 HydrophobicContact CG-CG 4.03Å; E288-Y875 PolarHBondContact OE1-OH 3.21Å; D871-Y875 WeakPolarHBondContact O-CB 2.8Å; D871-Y875 PolarHBondContact O-N 3.4Å; D871-Y875 VanDerWaalsContact O-N 3.15Å; Q872-Y875 PolarHBondContact O-N 3.48Å; A873-Y875 VanDerWaalsContact C-N 3.33Å; A873-Y875 PolarHBondContact O-N 2.58Å; Y875-K878 PolarHBondContact O-N 3.4Å; Y875-R879 HydrophobicContact CD2-CG 4.28Å; Y875-R879 HydrophobicContact CE1-CG 4.32Å; Y875-R879 HydrophobicContact CE2-CG 3.87Å; Y875-R879 WeakPolarHBondContact O-CB 2.87Å; Y875-R879 PolarHBondContact O-N 3.02Å; Y875-F898 HydrophobicContact CE1-CZ 4.17Å
876	C	86	Confident	82.2	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-48.4	175.1	-73.6	0	0	0	0	111.7	L281 L864 Q872 A873 K878 R879 M880	L281-C876 WeakPolarHBondContact CD1-SG 3.39Å; L864-C876 HydrophobicContact CD1-CB 3.89Å; L864-C876 HydrophobicContact CD2-CB 4.04Å; Q872-C876 PolarHBondContact O-N 3.04Å; Q872-C876 PolarHBondContact O-SG 2.78Å; A873-C876 PolarHBondContact O-N 2.66Å; C876-K878 PolarHBondContact O-N 3.34Å; C876-R879 PolarHBondContact O-N 3.19Å; C876-M880 HydrophobicContact CB-CE 4.07Å; C876-M880 HydrophobicContact CB-SD 4.25Å; C876-M880 WeakPolarHBondContact O-CB 3.43Å; C876-M880 VanDerWaalsContact O-CG 3.32Å; C876-M880 WeakPolarHBondContact O-CG 3.44Å; C876-M880 PolarHBondContact O-N 3.43Å
877	V	87.3	Confident	81.6	Confident	30 Å²	30	71.8 Å²	71.8	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-35	179.5	169.1	0	0	0	0	112	A861 L864 A873 E874 F893	A861-V877 HydrophobicContact CB-CG2 4.02Å; L864-V877 HydrophobicContact CD1-CG2 3.97Å; A873-V877 VanDerWaalsContact O-CG2 3.3Å; A873-V877 WeakPolarHBondContact O-CG2 3.33Å; A873-V877 PolarHBondContact O-N 3.27Å; E874-V877 PolarHBondContact O-N 3.08Å; V877-F893 HydrophobicContact CB-CZ 4.39Å; V877-F893 HydrophobicContact CG1-CE1 4.49Å; V877-F893 HydrophobicContact CG1-CE2 4.39Å; V877-F893 HydrophobicContact CG1-CZ 3.84Å; V877-F893 HydrophobicContact CG2-CE2 4.3Å; V877-F893 HydrophobicContact CG2-CZ 4.48Å; V877-F893 WeakPolarHBondContact O-CE1 3.24Å
878	K	88.1	Confident	80.9	Confident	183 Å²	183	70 Å²	70	80%	0.796	38%	0.379	S	S	*	.	H	α-helix	trans	-79.3	-31.8	-179.1	-165.9	179.5	-180	-173.4	0	113.5	E874 Y875 C876	E874-K878 WeakPolarHBondContact O-CB 3.22Å; E874-K878 PolarHBondContact O-N 3.47Å; Y875-K878 PolarHBondContact O-N 3.4Å; C876-K878 PolarHBondContact O-N 3.34Å
879	R	86	Confident	80.5	Confident	117 Å²	117	72.9 Å²	72.9	44%	0.442	40%	0.399	S	S	.	.	H	α-helix	trans	-103.1	-25.6	-173.3	-69.9	-70.9	-167.1	-172.1	-2.6	114	E288 Y875 C876 F898	E288-R879 VanDerWaalsContact CD-NH2 3.26Å; E288-R879 IonicContact OE1-CZ 3.79Å; E288-R879 IonicContact OE1-NE 3.05Å; E288-R879 PolarHBondContact OE1-NE 3.17Å; E288-R879 VanDerWaalsContact OE1-NE 3.1Å; E288-R879 IonicContact OE1-NH2 3.87Å; E288-R879 PolarHBondContact OE1-NH2 3.24Å; E288-R879 IonicContact OE2-CZ 2.79Å; E288-R879 IonicContact OE2-NE 2.62Å; E288-R879 PolarHBondContact OE2-NE 3.29Å; E288-R879 IonicContact OE2-NH2 3.6Å; E288-R879 PolarHBondContact OE2-NH2 3.04Å; Y875-R879 HydrophobicContact CD2-CG 4.28Å; Y875-R879 HydrophobicContact CE1-CG 4.32Å; Y875-R879 HydrophobicContact CE2-CG 3.87Å; Y875-R879 WeakPolarHBondContact O-CB 2.87Å; Y875-R879 PolarHBondContact O-N 3.02Å; C876-R879 PolarHBondContact O-N 3.19Å; R879-F898 HydrophobicContact CB-CD2 4.47Å; R879-F898 HydrophobicContact CB-CE2 3.77Å
880	M	88.7	Confident	80	Confident	8 Å²	8	78.9 Å²	78.9	4%	0.039	42%	0.42	C	S	.	.	S	Bend	trans	-70.8	133.4	178.8	-76.3	-177	177.6	0	0	111.1	F849 I859 L864 C876 F893 F898	F849-M880 HydrophobicContact CD1-CE 4.06Å; F849-M880 HydrophobicContact CE1-CE 3.41Å; F849-M880 VanDerWaalsContact CE1-CE 3.41Å; F849-M880 HydrophobicContact CE2-CE 4Å; F849-M880 HydrophobicContact CZ-CE 3.38Å; I859-M880 HydrophobicContact CG2-SD 4.04Å; L864-M880 HydrophobicContact CD1-SD 4.31Å; C876-M880 HydrophobicContact CB-CE 4.07Å; C876-M880 HydrophobicContact CB-SD 4.25Å; C876-M880 WeakPolarHBondContact O-CB 3.43Å; C876-M880 VanDerWaalsContact O-CG 3.32Å; C876-M880 WeakPolarHBondContact O-CG 3.44Å; C876-M880 PolarHBondContact O-N 3.43Å; M880-F893 HydrophobicContact CB-CB 3.86Å; M880-F893 HydrophobicContact CB-CD1 3.85Å; M880-F893 HydrophobicContact CB-CG 4.15Å; M880-F893 WeakPolarHBondContact O-CD1 3.4Å; M880-F893 HydrophobicContact SD-CB 3.94Å; M880-F898 HydrophobicContact CB-CB 4.44Å; M880-F898 HydrophobicContact CB-CD2 4.49Å; M880-F898 HydrophobicContact CB-CG 4.48Å; M880-F898 HydrophobicContact CE-CB 4.43Å; M880-F898 HydrophobicContact CE-CD1 3.39Å; M880-F898 HydrophobicContact CE-CE1 3.77Å; M880-F898 HydrophobicContact CE-CG 4.05Å; M880-F898 HydrophobicContact CG-CB 3.7Å; M880-F898 HydrophobicContact CG-CD1 3.81Å; M880-F898 HydrophobicContact CG-CD2 3.77Å; M880-F898 HydrophobicContact CG-CE1 4.33Å; M880-F898 HydrophobicContact CG-CE2 4.32Å; M880-F898 HydrophobicContact CG-CG 3.48Å; M880-F898 VanDerWaalsContact CG-CG 3.48Å; M880-F898 HydrophobicContact SD-CD1 4.45Å
881	P	88.4	Confident	80	Confident	43 Å²	43	79.7 Å²	79.7	28%	0.279	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-68.5	149.8	172.7	26.2	-29.3	0	0	0	111.2	F893 D894 A897	P881-F893 WeakPolarHBondContact O-CA 3.3Å; P881-D894 HydrophobicContact CG-CB 4.36Å; P881-D894 PolarHBondContact O-N 3.12Å; P881-A897 HydrophobicContact CG-CB 3.77Å
882	P	87.1	Confident	80.2	Confident	91 Å²	91	74 Å²	74	59%	0.591	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-68.9	141.3	175.4	28.1	-33.2	0	0	0	110.9	S892	P882-S892 WeakPolarHBondContact CA-O 2.89Å
883	Y	85.2	Confident	80.5	Confident	61 Å²	61	74 Å²	74	24%	0.239	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-78.3	127.5	178.8	-175	-105.8	0	0	0	111.2	F858 G885 A888 S892 D894	F858-Y883 HydrophobicContact CB-CD1 3.75Å; F858-Y883 HydrophobicContact CB-CD2 4.33Å; F858-Y883 HydrophobicContact CB-CE1 4.28Å; F858-Y883 HydrophobicContact CB-CG 3.79Å; F858-Y883 HydrophobicContact CD1-CD1 4.11Å; F858-Y883 HydrophobicContact CD1-CE1 4.03Å; F858-Y883 HydrophobicContact CG-CD1 4.25Å; Y883-G885 VanDerWaalsContact CE1-CA 3.43Å; Y883-A888 HydrophobicContact CD1-CB 3.74Å; Y883-A888 HydrophobicContact CE1-CB 4.41Å; Y883-S892 PolarHBondContact N-O 3.44Å; Y883-D894 HydrophobicContact CD2-CB 3.98Å
884	L	79	Confident	80.8	Confident	173 Å²	173	75.8 Å²	75.8	91%	0.906	40%	0.4	S	S	*	.			trans	-101.4	11.7	-174.4	-70.9	166.6	0	0	0	114.1
885	G	75.4	Confident	80.9	Confident	19 Å²	19	71.9 Å²	71.9	20%	0.196	38%	0.382	C	S	.	.	S	Bend	trans	-76.5	160.2	-176.2	0	0	0	0	0	114.8	Y883 D887 A888	Y883-G885 VanDerWaalsContact CE1-CA 3.43Å; G885-D887 PolarHBondContact O-N 3.29Å; G885-A888 PolarHBondContact O-N 2.99Å
886	P	62.4	Low	81	Confident	131 Å²	131	73 Å²	73	85%	0.851	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-0.5	-168	21.3	-28.7	0	0	0	117.5
887	D	68	Low	81	Confident	144 Å²	144	74.8 Å²	74.8	77%	0.77	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	22.4	-177.2	-67.5	-51.8	0	0	0	113.7	G885 P889	G885-D887 PolarHBondContact O-N 3.29Å; D887-P889 WeakPolarHBondContact O-CD 3.12Å
888	A	62.8	Low	81.1	Confident	37 Å²	37	73.6 Å²	73.6	31%	0.306	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-86	125.2	-170.8	0	0	0	0	0	113.6	Y883 G885	Y883-A888 HydrophobicContact CD1-CB 3.74Å; Y883-A888 HydrophobicContact CE1-CB 4.41Å; G885-A888 PolarHBondContact O-N 2.99Å
889	P	68.1	Low	81	Confident	70 Å²	70	64.9 Å²	64.9	46%	0.455	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.5	155.7	164.9	-21.1	30.1	0	0	0	112.6	F858 D887 N891 S892	F858-P889 HydrophobicContact CE2-CG 3.99Å; F858-P889 HydrophobicContact CZ-CG 4.24Å; D887-P889 WeakPolarHBondContact O-CD 3.12Å; P889-N891 PolarHBondContact O-N 2.88Å; P889-S892 VanDerWaalsContact CD-OG 3.26Å; P889-S892 WeakPolarHBondContact CD-OG 3.46Å; P889-S892 WeakPolarHBondContact O-CB 2.98Å; P889-S892 PolarHBondContact O-N 3.29Å; P889-S892 PolarHBondContact O-OG 3.21Å
890	H	67.3	Low	81	Confident	199 Å²	199	62.1 Å²	62.1	92%	0.921	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	137.6	167.3	-75.8	-53.1	0	0	0	109.9
891	N	79.3	Confident	80.8	Confident	117 Å²	117	67.9 Å²	67.9	63%	0.626	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	35.1	-174.5	-104.2	17.9	0	0	0	116.1	P889 F893	P889-N891 PolarHBondContact O-N 2.88Å; N891-F893 WeakPolarHBondContact O-CE2 2.89Å
892	S	83.9	Confident	80.4	Confident	6 Å²	6	66.2 Å²	66.2	4%	0.042	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.9	170.8	-53.2	0	0	0	0	111.8	P882 Y883 P889	P882-S892 WeakPolarHBondContact CA-O 2.89Å; Y883-S892 PolarHBondContact N-O 3.44Å; P889-S892 VanDerWaalsContact CD-OG 3.26Å; P889-S892 WeakPolarHBondContact CD-OG 3.46Å; P889-S892 WeakPolarHBondContact O-CB 2.98Å; P889-S892 PolarHBondContact O-N 3.29Å; P889-S892 PolarHBondContact O-OG 3.21Å
893	F	89.9	Confident	79.9	Confident	17 Å²	17	63 Å²	63	8%	0.075	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.5	-177.3	-61.8	-82	0	0	0	111.9	F858 I859 A861 V877 M880 P881 N891	F858-F893 WeakPolarHBondContact CA-O 3.13Å; I859-F893 HydrophobicContact CG2-CB 4.05Å; I859-F893 PolarHBondContact N-O 3.29Å; I859-F893 PolarHBondContact O-N 3.33Å; A861-F893 HydrophobicContact CB-CE2 4.06Å; V877-F893 HydrophobicContact CB-CZ 4.39Å; V877-F893 HydrophobicContact CG1-CE1 4.49Å; V877-F893 HydrophobicContact CG1-CE2 4.39Å; V877-F893 HydrophobicContact CG1-CZ 3.84Å; V877-F893 HydrophobicContact CG2-CE2 4.3Å; V877-F893 HydrophobicContact CG2-CZ 4.48Å; V877-F893 WeakPolarHBondContact O-CE1 3.24Å; M880-F893 HydrophobicContact CB-CB 3.86Å; M880-F893 HydrophobicContact CB-CD1 3.85Å; M880-F893 HydrophobicContact CB-CG 4.15Å; M880-F893 WeakPolarHBondContact O-CD1 3.4Å; M880-F893 HydrophobicContact SD-CB 3.94Å; P881-F893 WeakPolarHBondContact O-CA 3.3Å; N891-F893 WeakPolarHBondContact O-CE2 2.89Å
894	D	90.9	Very high	78.9	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.193	36%	0.357	C	S	.	.			trans	-94.2	98.2	177.6	-171.2	-21.1	0	0	0	110.2	P881 Y883 V896 A897 F898	P881-D894 HydrophobicContact CG-CB 4.36Å; P881-D894 PolarHBondContact O-N 3.12Å; Y883-D894 HydrophobicContact CD2-CB 3.98Å; D894-V896 VanDerWaalsContact C-N 3.29Å; D894-V896 WeakPolarHBondContact OD1-CA 3.34Å; D894-V896 WeakPolarHBondContact OD1-CB 3.36Å; D894-V896 PolarHBondContact OD1-N 3.24Å; D894-A897 HydrophobicContact CB-CB 4.22Å; D894-A897 PolarHBondContact OD1-N 3.49Å; D894-F898 WeakPolarHBondContact O-CB 3.22Å; D894-F898 PolarHBondContact O-N 3.43Å
895	Y	89.3	Confident	78.3	Confident	3 Å²	3	61.9 Å²	61.9	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-75.8	-17.1	178.1	64	-99.9	0	0	0	112.9	I846 F849 R850 A853 K856 I859 S899	I846-Y895 HydrophobicContact CG2-CE2 4.09Å; I846-Y895 WeakPolarHBondContact O-CE2 3.36Å; F849-Y895 HydrophobicContact CB-CD1 4.27Å; F849-Y895 HydrophobicContact CB-CD2 3.28Å; F849-Y895 HydrophobicContact CB-CE2 3.86Å; F849-Y895 HydrophobicContact CB-CG 3.51Å; F849-Y895 HydrophobicContact CG-CD2 4.15Å; F849-Y895 HydrophobicContact CG-CG 4.11Å; R850-Y895 HydrophobicContact CB-CE2 4.29Å; A853-Y895 HydrophobicContact CB-CE1 4Å; K856-Y895 WeakPolarHBondContact O-CE1 3.4Å; K856-Y895 PolarHBondContact O-OH 3.3Å; I859-Y895 HydrophobicContact CB-CD1 4.05Å; I859-Y895 HydrophobicContact CG2-CD1 4.12Å; Y895-S899 WeakPolarHBondContact O-CB 3.35Å; Y895-S899 PolarHBondContact O-N 3.13Å; Y895-S899 PolarHBondContact O-OG 3.43Å
896	V	88	Confident	78.4	Confident	48 Å²	48	64.1 Å²	64.1	29%	0.291	36%	0.357	S	S	.	.	H	α-helix	trans	-73.5	-52.7	177.3	177.4	0	0	0	0	109.3	I846 D894 F898 S899 H900	I846-V896 HydrophobicContact CD1-CG1 4.09Å; I846-V896 HydrophobicContact CG2-CG2 4.09Å; D894-V896 VanDerWaalsContact C-N 3.29Å; D894-V896 WeakPolarHBondContact OD1-CA 3.34Å; D894-V896 WeakPolarHBondContact OD1-CB 3.36Å; D894-V896 PolarHBondContact OD1-N 3.24Å; V896-F898 VanDerWaalsContact C-N 3.27Å; V896-F898 PolarHBondContact O-N 3.19Å; V896-S899 PolarHBondContact O-N 2.84Å; V896-H900 PolarHBondContact O-CD2 3.44Å; V896-H900 VanDerWaalsContact O-CD2 3.25Å; V896-H900 PolarHBondContact O-N 3.45Å
897	A	86.8	Confident	79.2	Confident	37 Å²	37	60.5 Å²	60.5	31%	0.306	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-40.8	175.8	0	0	0	0	0	111.7	P881 D894 Q901	P881-A897 HydrophobicContact CG-CB 3.77Å; D894-A897 HydrophobicContact CB-CB 4.22Å; D894-A897 PolarHBondContact OD1-N 3.49Å; A897-Q901 VanDerWaalsContact O-CB 3.31Å; A897-Q901 WeakPolarHBondContact O-CB 3.41Å; A897-Q901 PolarHBondContact O-N 3.38Å
898	F	89.4	Confident	79.9	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-42.1	176.1	178.5	-111.5	0	0	0	113.1	L281 F849 Y875 R879 M880 D894 V896 Q901 L902	L281-F898 HydrophobicContact CD2-CE1 3.85Å; L281-F898 HydrophobicContact CD2-CZ 3.74Å; F849-F898 HydrophobicContact CE2-CD1 4.2Å; F849-F898 HydrophobicContact CE2-CE1 4.35Å; F849-F898 HydrophobicContact CZ-CD1 4.36Å; F849-F898 HydrophobicContact CZ-CE1 4.23Å; Y875-F898 HydrophobicContact CE1-CZ 4.17Å; R879-F898 HydrophobicContact CB-CD2 4.47Å; R879-F898 HydrophobicContact CB-CE2 3.77Å; M880-F898 HydrophobicContact CB-CB 4.44Å; M880-F898 HydrophobicContact CB-CD2 4.49Å; M880-F898 HydrophobicContact CB-CG 4.48Å; M880-F898 HydrophobicContact CE-CB 4.43Å; M880-F898 HydrophobicContact CE-CD1 3.39Å; M880-F898 HydrophobicContact CE-CE1 3.77Å; M880-F898 HydrophobicContact CE-CG 4.05Å; M880-F898 HydrophobicContact CG-CB 3.7Å; M880-F898 HydrophobicContact CG-CD1 3.81Å; M880-F898 HydrophobicContact CG-CD2 3.77Å; M880-F898 HydrophobicContact CG-CE1 4.33Å; M880-F898 HydrophobicContact CG-CE2 4.32Å; M880-F898 HydrophobicContact CG-CG 3.48Å; M880-F898 VanDerWaalsContact CG-CG 3.48Å; M880-F898 HydrophobicContact SD-CD1 4.45Å; D894-F898 WeakPolarHBondContact O-CB 3.22Å; D894-F898 PolarHBondContact O-N 3.43Å; V896-F898 VanDerWaalsContact C-N 3.27Å; V896-F898 PolarHBondContact O-N 3.19Å; F898-Q901 PolarHBondContact O-N 3.22Å; F898-L902 HydrophobicContact CD1-CD1 3.72Å; F898-L902 HydrophobicContact CE1-CD1 3.3Å; F898-L902 HydrophobicContact CE1-CG 4.5Å; F898-L902 HydrophobicContact CE2-CD1 4.17Å; F898-L902 HydrophobicContact CG-CD1 4.34Å; F898-L902 HydrophobicContact CZ-CD1 3.56Å; F898-L902 HydrophobicContact CZ-CG 4.37Å; F898-L902 WeakPolarHBondContact O-CB 3.24Å; F898-L902 PolarHBondContact O-N 3.14Å
899	S	86	Confident	80.9	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-43.5	179.8	-58.6	0	0	0	0	111.6	I845 I846 Y895 V896 L902 Y903	I845-S899 WeakPolarHBondContact CG2-OG 3.36Å; I846-S899 VanDerWaalsContact CG1-CB 3.47Å; Y895-S899 WeakPolarHBondContact O-CB 3.35Å; Y895-S899 PolarHBondContact O-N 3.13Å; Y895-S899 PolarHBondContact O-OG 3.43Å; V896-S899 PolarHBondContact O-N 2.84Å; S899-L902 VanDerWaalsContact O-CB 3.32Å; S899-L902 WeakPolarHBondContact O-CB 2.96Å; S899-L902 PolarHBondContact O-N 3.14Å; S899-Y903 WeakPolarHBondContact O-CD2 3.49Å; S899-Y903 PolarHBondContact O-N 3.5Å
900	H	85.6	Confident	81.7	Confident	58 Å²	58	56.2 Å²	56.2	27%	0.269	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-41.8	173.4	-71.3	-60.1	0	0	0	111.8	V896 L902 Y903 G904 E905	V896-H900 PolarHBondContact O-CD2 3.44Å; V896-H900 VanDerWaalsContact O-CD2 3.25Å; V896-H900 PolarHBondContact O-N 3.45Å; H900-L902 VanDerWaalsContact C-N 3.28Å; H900-L902 PolarHBondContact O-N 2.71Å; H900-Y903 CarbonylContact O-C 3.29Å; H900-Y903 PolarHBondContact O-N 2.61Å; H900-Y903 VanDerWaalsContact O-N 3.08Å; H900-G904 PolarHBondContact O-N 3.11Å; H900-E905 HydrophobicContact CB-CB 4.09Å; H900-E905 IonicContact CE1-OE2 2.73Å; H900-E905 PolarHBondContact CE1-OE2 3.12Å; H900-E905 VanDerWaalsContact CE1-OE2 3.25Å; H900-E905 WeakPolarHBondContact ND1-CB 3.24Å; H900-E905 IonicContact ND1-OE2 2.86Å; H900-E905 PolarHBondContact ND1-OE2 3.34Å; H900-E905 PolarHBondContact O-N 3.26Å
901	Q	83.8	Confident	82.6	Confident	129 Å²	129	46.7 Å²	46.7	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-60.5	-38.1	176.8	-169.9	178	16.9	0	0	112.6	A897 F898 Y903	A897-Q901 VanDerWaalsContact O-CB 3.31Å; A897-Q901 WeakPolarHBondContact O-CB 3.41Å; A897-Q901 PolarHBondContact O-N 3.38Å; F898-Q901 PolarHBondContact O-N 3.22Å; Q901-Y903 VanDerWaalsContact C-N 3.32Å; Q901-Y903 PolarHBondContact O-N 3.48Å
902	L	80.3	Confident	82.9	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-40.3	174.7	-104	154.7	0	0	0	111.8	V280 N284 R365 F898 S899 H900	V280-L902 HydrophobicContact CG1-CD2 4.25Å; N284-L902 HydrophobicContact CB-CD2 3.72Å; N284-L902 VanDerWaalsContact ND2-CD2 3.34Å; N284-L902 WeakPolarHBondContact ND2-CD2 3.2Å; R365-L902 WeakPolarHBondContact CD-O 3Å; R365-L902 PolarHBondContact NH1-O 3.06Å; F898-L902 HydrophobicContact CD1-CD1 3.72Å; F898-L902 HydrophobicContact CE1-CD1 3.3Å; F898-L902 HydrophobicContact CE1-CG 4.5Å; F898-L902 HydrophobicContact CE2-CD1 4.17Å; F898-L902 HydrophobicContact CG-CD1 4.34Å; F898-L902 HydrophobicContact CZ-CD1 3.56Å; F898-L902 HydrophobicContact CZ-CG 4.37Å; F898-L902 WeakPolarHBondContact O-CB 3.24Å; F898-L902 PolarHBondContact O-N 3.14Å; S899-L902 VanDerWaalsContact O-CB 3.32Å; S899-L902 WeakPolarHBondContact O-CB 2.96Å; S899-L902 PolarHBondContact O-N 3.14Å; H900-L902 VanDerWaalsContact C-N 3.28Å; H900-L902 PolarHBondContact O-N 2.71Å
903	Y	76.1	Confident	82.8	Confident	22 Å²	22	44.4 Å²	44.4	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-97.9	-5.5	-177.4	-72.5	-83.6	0	0	0	114.2	R365 D840 A842 I845 S899 H900 Q901	R365-Y903 VanDerWaalsContact NH2-CZ 3.31Å; R365-Y903 PolarHBondContact NH2-OH 3.48Å; D840-Y903 WeakPolarHBondContact O-CE1 3.25Å; D840-Y903 PolarHBondContact O-OH 3.18Å; A842-Y903 HydrophobicContact CB-CD2 3.82Å; A842-Y903 HydrophobicContact CB-CG 4.25Å; I845-Y903 HydrophobicContact CG1-CE2 4.1Å; S899-Y903 WeakPolarHBondContact O-CD2 3.49Å; S899-Y903 PolarHBondContact O-N 3.5Å; H900-Y903 CarbonylContact O-C 3.29Å; H900-Y903 PolarHBondContact O-N 2.61Å; H900-Y903 VanDerWaalsContact O-N 3.08Å; Q901-Y903 VanDerWaalsContact C-N 3.32Å; Q901-Y903 PolarHBondContact O-N 3.48Å
904	G	65.5	Low	82.2	Confident	50 Å²	50	46.7 Å²	46.7	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	31.2	-179.3	0	0	0	0	0	113.6	H900	H900-G904 PolarHBondContact O-N 3.11Å
905	E	64.5	Low	81.4	Confident	162 Å²	162	47.6 Å²	47.6	76%	0.757	27%	0.265	S	S	*	.			trans	-89.9	0	177.2	-71	-178.4	-178.4	0	0	113.6	A842 H900	A842-E905 WeakPolarHBondContact CB-OE2 3.49Å; H900-E905 HydrophobicContact CB-CB 4.09Å; H900-E905 IonicContact CE1-OE2 2.73Å; H900-E905 PolarHBondContact CE1-OE2 3.12Å; H900-E905 VanDerWaalsContact CE1-OE2 3.25Å; H900-E905 WeakPolarHBondContact ND1-CB 3.24Å; H900-E905 IonicContact ND1-OE2 2.86Å; H900-E905 PolarHBondContact ND1-OE2 3.34Å; H900-E905 PolarHBondContact O-N 3.26Å

Retrieved 905 of 905 residues in 363.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).