A0A3Q0KUR5_SCHMA Loading...

Putative voltage-gated potassium channel

AlphaFold DB , UniProt , Accession A0A3Q0KUR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,012 aa.

						>A0A3Q0KUR5_SCHMA|A0A3Q0KUR5
MNTLHWASGAKAANIDGTMGVYGQLDKSYGTRPYSGMVGAGGGSTGLSNPSNLYTYTGSVFSHGSTNAPLCSSSQDTCTTQQNRSQTDTHEYTKLLSSGTSLHTNYNSPNLSHLPYSISETKLNERLLDNVNYWQKTFHTNEPSSDNSYNIIEKTTTTTTTIPPTTTCHINSITNDNTIQLHHIPTTNLYHTITQYSHENQQRIVLNISGLRFETQFSTLRKFPNTLLGNPKKLDRYYDSLRNEYFFDRNRPSFDAILYYYQSGGRLRRPVNVPIDVFTEEINFYEIDEDAIEKYRDDEGFIREDVKILPENKIQRKLWLLFEYPESSIAARCVAICSIFVIILSIIIFCIETLPSFKHYKFVNLSSYNIPPISLPLSSSSSSSTSPPPSSIPSLLSLPNLNITSINTNQLINDFNLSIKTTEDLFLTIIDCKQYYDPMKCLLITEDDIPTVIDPFFLIETICIIWFTFELLIRFASSPEKIAFFKNIMNFIDIVAIIPYFITVGTMVADESKSQNQAMSLAILRVIRLVRVFRIFKLSRHSKGLQILGQTLKASTRELGLLVFFLLICVILFSSAVYFAEVDSDRTYFRSIPDAFWWAVVTMTTVGYGDMRPVTMWGKLVGSLCAIAGVLTIALPVPVIVSNFNYFYHRETETEDKQTFIHVQSCTSYANLSLSSLNSNSKCDTGSMINEKRQQYKPIDTGIKNDQLIDTKHQNRAKSLASWPNIHQEDNYLAKRNENRSSFKENNEYDDLLLSKSTIHPPPSVNILSNETTCTFVNSRINEDTKELRKTKSTNDSGPLPPIQINSSIQEEKSAPNLSKKDVSPTPYISKITRSLSLPLCIKTEGENMPKSAHSFKVSEHLKGRLLSCLHETINESCESQVVDSKNNQYLPVRYYLEENIDNHQDGRDDKYNTNETSTDKEINEVDISEKLFSEQKQPVLKITDDITISTSLVQQPDDKTCHNSPAQFLSNHDCIKKHVSNTGSETEKTKKSKAFPSKQQQSFNKTIETDV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	32.1	Very low	238 Å²	238	153.5 Å²	153.5	100%	1.172	86%	0.856	S	S	*	*				0	121.2	0	-86.7	168.9	151.8	0	0	108.5
2	N	28.8	Very low	32.3	Very low	160 Å²	160	148.8 Å²	148.8	86%	0.856	85%	0.851	S	S	*	*			trans	43.6	73	158.7	-56.6	7.3	0	0	0	119.1
3	T	34.7	Very low	32.3	Very low	138 Å²	138	145.4 Å²	145.4	85%	0.847	85%	0.852	S	S	*	*			trans	-87.5	101.3	151.7	3.4	0	0	0	0	109.1	H5	T3-H5 PolarHBondContact O-N 3.34Å
4	L	34.3	Very low	32.4	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	85%	0.846	S	S	*	*			trans	-77.6	103.2	175.3	-119.5	145.3	0	0	0	108.9	W6	L4-W6 PolarHBondContact O-N 3.4Å; L4-W6 VanDerWaalsContact O-N 3.16Å
5	H	34.1	Very low	32.5	Very low	171 Å²	171	144.9 Å²	144.9	79%	0.792	84%	0.837	S	S	*	*			trans	-80.2	94	-176.8	-133.1	-84.5	0	0	0	110.5	T3 A7	T3-H5 PolarHBondContact O-N 3.34Å; H5-A7 PolarHBondContact O-N 3.02Å
6	W	33.3	Very low	32.6	Very low	243 Å²	243	145.6 Å²	145.6	92%	0.92	84%	0.837	S	S	*	*			trans	-84.1	94.1	163.6	-105.5	55.2	0	0	0	109.1	L4 S8	L4-W6 PolarHBondContact O-N 3.4Å; L4-W6 VanDerWaalsContact O-N 3.16Å; W6-S8 PolarHBondContact O-N 3.04Å
7	A	33.6	Very low	32.6	Very low	82 Å²	82	141.1 Å²	141.1	68%	0.678	83%	0.829	S	S	*	*			trans	-75.3	115.7	175.5	0	0	0	0	0	110.2	H5 G9	H5-A7 PolarHBondContact O-N 3.02Å; A7-G9 PolarHBondContact O-N 3.44Å
8	S	33.4	Very low	32.8	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	83%	0.834	S	S	*	*			trans	-57.1	124.8	169.8	-176.1	0	0	0	0	110.3	W6 A10	W6-S8 PolarHBondContact O-N 3.04Å; S8-A10 PolarHBondContact O-N 2.91Å
9	G	27.9	Very low	32.7	Very low	84 Å²	84	143.1 Å²	143.1	87%	0.866	84%	0.835	S	S	*	*	S	Bend	trans	-73.4	87.8	-175.6	0	0	0	0	0	112.7	A7	A7-G9 PolarHBondContact O-N 3.44Å
10	A	30.4	Very low	32.7	Very low	88 Å²	88	139.7 Å²	139.7	73%	0.727	83%	0.832	S	S	*	*			trans	-145.8	60.9	170.7	0	0	0	0	0	111.4	S8	S8-A10 PolarHBondContact O-N 2.91Å
11	K	30.2	Very low	32.6	Very low	213 Å²	213	138.4 Å²	138.4	93%	0.926	83%	0.825	S	S	*	*			trans	-88.4	113.2	164.5	-103.9	-174.1	175.2	-176.6	0	109.2
12	A	34.4	Very low	32.7	Very low	97 Å²	97	138.3 Å²	138.3	80%	0.802	81%	0.813	S	S	*	*			trans	-58.1	142.4	170.7	0	0	0	0	0	110.5	N14	A12-N14 PolarHBondContact O-N 3.03Å
13	A	33	Very low	32.7	Very low	104 Å²	104	133.9 Å²	133.9	86%	0.86	81%	0.805	S	S	*	*			trans	-65	131.2	174.9	0	0	0	0	0	110.2
14	N	32.9	Very low	32.5	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	81%	0.808	S	S	*	*			trans	-135.1	98.8	157.7	-153.3	19.3	0	0	0	108	A12	A12-N14 PolarHBondContact O-N 3.03Å
15	I	34.3	Very low	32.4	Very low	139 Å²	139	136.6 Å²	136.6	71%	0.713	81%	0.808	S	S	*	*			trans	26.4	103.9	141.5	-49.5	171.5	0	0	0	115.5
16	D	34.4	Very low	32.1	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	81%	0.813	S	S	*	*				-168.4	145.4	108.6	-105.8	-33	0	0	0	111.3
17	G	33.2	Very low	32.2	Very low	69 Å²	69	132.2 Å²	132.2	71%	0.711	80%	0.801	S	S	*	*			trans	-96.6	132.5	-174.2	0	0	0	0	0	113.6
18	T	35.1	Very low	32	Very low	149 Å²	149	131.1 Å²	131.1	91%	0.914	79%	0.788	S	S	*	*			trans	-146.8	136	149.4	-36.8	0	0	0	0	111.5
19	M	31.7	Very low	32.2	Very low	171 Å²	171	134.4 Å²	134.4	84%	0.842	78%	0.784	S	S	*	*			trans	-77.4	135.7	-173.7	-178.8	171.1	142.4	0	0	111.7	V21	M19-V21 HydrophobicContact CE-CG2 3.99Å; M19-V21 HydrophobicContact CG-CG2 4.35Å
20	G	32.6	Very low	32.3	Very low	75 Å²	75	133.6 Å²	133.6	77%	0.773	78%	0.777	S	S	*	*			trans	-141.4	78.2	-179.3	0	0	0	0	0	111.9	Y22	G20-Y22 PolarHBondContact O-N 3.19Å
21	V	31.3	Very low	32.8	Very low	114 Å²	114	134.9 Å²	134.9	69%	0.691	78%	0.775	S	S	*	*			trans	-70.8	114.9	177.6	177.1	0	0	0	0	110.2	M19	M19-V21 HydrophobicContact CE-CG2 3.99Å; M19-V21 HydrophobicContact CG-CG2 4.35Å
22	Y	32.5	Very low	33	Very low	236 Å²	236	132.8 Å²	132.8	93%	0.925	76%	0.762	S	S	*	*			trans	-135.9	118.5	151.7	-100.9	-85.5	0	0	0	108	G20	G20-Y22 PolarHBondContact O-N 3.19Å
23	G	29.9	Very low	33	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	75%	0.754	S	S	*	*			trans	-93	-157.1	-173.2	0	0	0	0	0	113.6
24	Q	29.4	Very low	32.9	Very low	192 Å²	192	135.9 Å²	135.9	90%	0.897	74%	0.744	S	S	*	*			trans	81.5	75.3	159.7	-149	163.8	17.9	0	0	116.5
25	L	32	Very low	32.9	Very low	159 Å²	159	134.8 Å²	134.8	83%	0.832	75%	0.748	S	S	*	*				-165.3	104.9	119.9	-104.9	159.6	0	0	0	111.5	K27	L25-K27 PolarHBondContact O-N 3.49Å
26	D	29.1	Very low	32.8	Very low	166 Å²	166	131.8 Å²	131.8	89%	0.888	75%	0.751	S	S	*	*			trans	-57.6	119.1	168.4	-87.8	-53	0	0	0	111.2
27	K	34.2	Very low	32.7	Very low	156 Å²	156	133.5 Å²	133.5	68%	0.678	76%	0.757	S	S	*	*			trans	-137.5	107.3	155.8	-76.7	-167.6	176.5	177.4	0	109.9	L25 Y29	L25-K27 PolarHBondContact O-N 3.49Å; K27-Y29 HydrophobicContact CB-CD2 4.45Å; K27-Y29 HydrophobicContact CB-CE2 4.14Å; K27-Y29 WeakPolarHBondContact O-CD2 3.22Å; K27-Y29 PolarHBondContact O-N 3.2Å
28	S	29.6	Very low	32.9	Very low	58 Å²	58	137.3 Å²	137.3	41%	0.406	77%	0.766	S	S	.	*			trans	-49.9	108.1	167.8	-88.2	0	0	0	0	111.1	V271	S28-V271 PolarHBondContact OG-O 3.25Å
29	Y	37.6	Very low	32.7	Very low	185 Å²	185	133.8 Å²	133.8	73%	0.725	76%	0.759	S	S	*	*			trans	-99.3	77.2	168.6	-83.9	-77	0	0	0	111	K27 T31	K27-Y29 HydrophobicContact CB-CD2 4.45Å; K27-Y29 HydrophobicContact CB-CE2 4.14Å; K27-Y29 WeakPolarHBondContact O-CD2 3.22Å; K27-Y29 PolarHBondContact O-N 3.2Å; Y29-T31 HydrophobicContact CD1-CG2 4.39Å; Y29-T31 PolarHBondContact O-N 3.48Å
30	G	31.2	Very low	32.9	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	76%	0.762	S	S	*	*			trans	-76.5	70.7	160.6	0	0	0	0	0	110.6	R32	G30-R32 PolarHBondContact O-N 2.91Å; G30-R32 VanDerWaalsContact O-N 3.07Å
31	T	39.7	Very low	32.9	Very low	114 Å²	114	131 Å²	131	70%	0.699	76%	0.764	S	S	*	*			trans	-78.4	90	-177.4	10.5	0	0	0	0	112.2	Y29	Y29-T31 HydrophobicContact CD1-CG2 4.39Å; Y29-T31 PolarHBondContact O-N 3.48Å
32	R	35.3	Very low	32.9	Very low	170 Å²	170	129.5 Å²	129.5	64%	0.642	77%	0.772	S	S	*	*			trans	-69.8	128.7	165.7	-70.8	174.9	147.3	-130	-23.1	111.1	G30 D298	G30-R32 PolarHBondContact O-N 2.91Å; G30-R32 VanDerWaalsContact O-N 3.07Å; R32-D298 IonicContact NH2-OD1 2.84Å; R32-D298 PolarHBondContact NH2-OD1 3.33Å
33	P	33.3	Very low	32.9	Very low	99 Å²	99	121.7 Å²	121.7	64%	0.643	76%	0.763	S	S	*	*			trans	-84.1	148.8	161.2	34.5	-32.2	0	0	0	110.8
34	Y	32.7	Very low	33	Very low	166 Å²	166	123.8 Å²	123.8	65%	0.651	77%	0.767	S	S	*	*			trans	71.5	104.5	175.5	-59.6	-95.4	0	0	0	118.4	R557	Y34-R557 VanDerWaalsContact CZ-CZ 3.46Å; Y34-R557 VanDerWaalsContact CZ-NH1 3.34Å; Y34-R557 WeakPolarHBondContact OH-CD 3.38Å; Y34-R557 PolarHBondContact OH-NE 3.43Å; Y34-R557 VanDerWaalsContact OH-NE 3.17Å; Y34-R557 PolarHBondContact OH-NH1 3.33Å
35	S	32.9	Very low	33.1	Very low	122 Å²	122	121.6 Å²	121.6	85%	0.853	77%	0.767	S	S	*	*				177.2	122.7	99.1	-175	0	0	0	0	112.2
36	G	30.5	Very low	33.1	Very low	76 Å²	76	117.6 Å²	117.6	78%	0.784	76%	0.764	S	S	*	*			trans	70.2	103.2	157.9	0	0	0	0	0	118.9
37	M	33.2	Very low	33.1	Very low	192 Å²	192	118 Å²	118	95%	0.946	77%	0.766	S	S	*	*			trans	-123.5	114	151.8	-93.3	176.9	68.8	0	0	109.5
38	V	36.8	Very low	33.1	Very low	148 Å²	148	116 Å²	116	90%	0.897	77%	0.771	S	S	*	*			trans	-84.7	139.1	161.7	178.6	0	0	0	0	107.1
39	G	31.3	Very low	33.3	Very low	75 Å²	75	120.5 Å²	120.5	77%	0.773	79%	0.79	S	S	*	*			trans	-88.8	156.5	-162.7	0	0	0	0	0	116.7
40	A	36	Very low	33.5	Very low	109 Å²	109	116.3 Å²	116.3	90%	0.901	79%	0.786	S	S	*	*			trans	-162.4	147.1	149.1	0	0	0	0	0	106.4
41	G	31.8	Very low	33.8	Very low	79 Å²	79	117.8 Å²	117.8	81%	0.814	79%	0.785	S	S	*	*			cis	143.5	80.8	1.3	0	0	0	0	0	112.1
42	G	32.5	Very low	33.5	Very low	83 Å²	83	119.4 Å²	119.4	86%	0.856	79%	0.79	S	S	*	*			trans	93.7	152.3	156.7	0	0	0	0	0	120
43	G	31.4	Very low	33.3	Very low	72 Å²	72	118.8 Å²	118.8	74%	0.742	80%	0.798	S	S	*	*			trans	83.5	92.9	156.3	0	0	0	0	0	116.7
44	S	31.9	Very low	33.3	Very low	111 Å²	111	124.2 Å²	124.2	78%	0.776	81%	0.807	S	S	*	*				84.3	113.4	63	-63	0	0	0	0	116
45	T	32.5	Very low	33.3	Very low	145 Å²	145	123 Å²	123	89%	0.89	82%	0.817	S	S	*	*			trans	62.2	128.6	144.9	59.2	0	0	0	0	121.7
46	G	31	Very low	33.1	Very low	76 Å²	76	127.4 Å²	127.4	78%	0.784	82%	0.817	S	S	*	*			trans	149	110.6	143.3	0	0	0	0	0	117.7
47	L	30.6	Very low	33.3	Very low	175 Å²	175	130.7 Å²	130.7	92%	0.916	82%	0.822	S	S	*	*			trans	-39.9	158.1	159.1	-64.7	117.8	0	0	0	114.4
48	S	33.7	Very low	33.2	Very low	112 Å²	112	124.5 Å²	124.5	78%	0.783	81%	0.807	S	S	*	*			cis	-166.9	155.8	12.8	31.3	0	0	0	0	111.9
49	N	33.3	Very low	32.9	Very low	154 Å²	154	123.1 Å²	123.1	82%	0.824	80%	0.804	S	S	*	*			trans	-85.3	-174.5	169.1	-141.1	10.3	0	0	0	110.6
50	P	42.8	Very low	33	Very low	97 Å²	97	125.4 Å²	125.4	63%	0.63	80%	0.803	S	S	*	*			cis	-125.3	-176.4	-21.6	28.6	-4.9	0	0	0	112.5
51	S	35.9	Very low	32.8	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	80%	0.801	S	S	*	*				172	144.1	82.6	-57.5	0	0	0	0	112.5
52	N	34.3	Very low	32.7	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	79%	0.793	S	S	*	*			trans	29.6	147.7	140.9	-56.7	-6.9	0	0	0	121.1
53	L	31.3	Very low	32.8	Very low	156 Å²	156	135.5 Å²	135.5	82%	0.817	80%	0.795	S	S	*	*			cis	-161.7	160.6	42	-164.9	69.3	0	0	0	112.5
54	Y	32.1	Very low	32.9	Very low	213 Å²	213	135.5 Å²	135.5	84%	0.835	80%	0.795	S	S	*	*			trans	-77.4	165.2	175	-75.5	-105.9	0	0	0	113.7
55	T	33	Very low	33	Very low	141 Å²	141	135.2 Å²	135.2	87%	0.865	79%	0.793	S	S	*	*				-169.7	153	120.5	-73.2	0	0	0	0	111.3
56	Y	29.2	Very low	32.9	Very low	214 Å²	214	133.5 Å²	133.5	84%	0.839	78%	0.782	S	S	*	*			trans	-119.4	152.2	-168	-154.4	-99.3	0	0	0	109.9
57	T	35.2	Very low	33	Very low	145 Å²	145	137.6 Å²	137.6	89%	0.89	79%	0.787	S	S	*	*			trans	178.7	139.3	144.1	21.2	0	0	0	0	112.5
58	G	30.5	Very low	33	Very low	62 Å²	62	133.7 Å²	133.7	64%	0.639	78%	0.779	S	S	*	*			trans	-104.2	-172.3	-169.6	0	0	0	0	0	118
59	S	30.2	Very low	32.9	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	78%	0.781	S	S	*	*			trans	64.5	141.1	171.2	68.2	0	0	0	0	116.7
60	V	33.2	Very low	32.8	Very low	124 Å²	124	135.1 Å²	135.1	75%	0.752	78%	0.784	S	S	*	*				-160.7	141.6	56.5	155.9	0	0	0	0	112.7
61	F	31.7	Very low	32.1	Very low	193 Å²	193	136 Å²	136	85%	0.846	79%	0.791	S	S	*	*			trans	34.1	122.7	155	-80.6	-102.2	0	0	0	125.5
62	S	30.2	Very low	32	Very low	93 Å²	93	136 Å²	136	65%	0.65	79%	0.792	S	S	*	*				36.9	120	127.5	-54.9	0	0	0	0	123.3
63	H	35.7	Very low	32.1	Very low	197 Å²	197	134 Å²	134	91%	0.912	79%	0.789	S	S	*	*				178.9	150.5	102.7	-106.4	-86.4	0	0	0	112.9
64	G	33.1	Very low	32.3	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	78%	0.782	S	S	*	*			trans	97.3	83.6	141.6	0	0	0	0	0	121.2
65	S	32.9	Very low	32.5	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	78%	0.779	S	S	*	*			trans	45.7	118.4	130.2	-151	0	0	0	0	122.7
66	T	30.4	Very low	32.6	Very low	109 Å²	109	128.6 Å²	128.6	67%	0.669	77%	0.772	S	S	*	*			trans	55.7	108	135.9	58.4	0	0	0	0	120.6
67	N	33.6	Very low	32.7	Very low	163 Å²	163	124.8 Å²	124.8	87%	0.872	77%	0.772	S	S	*	*				179.6	172.1	96.3	-90.7	-39.1	0	0	0	113.3
68	A	31.6	Very low	32.3	Very low	92 Å²	92	123.2 Å²	123.2	76%	0.76	77%	0.765	S	S	*	*			trans	-55.2	152.8	-165	0	0	0	0	0	117.3
69	P	30.7	Very low	32.5	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	77%	0.773	S	S	*	*			trans	-86	154.2	-176.8	35.8	-36.1	0	0	0	113.7
70	L	31.2	Very low	32.5	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	77%	0.768	S	S	*	*			trans	-141.8	154.6	172.1	-112.1	145.8	0	0	0	111
71	C	28.2	Very low	32.4	Very low	114 Å²	114	129.8 Å²	129.8	77%	0.77	78%	0.775	S	S	*	*			trans	-50	166	-172.3	-53.2	0	0	0	0	115
72	S	33.3	Very low	32.3	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	78%	0.775	S	S	*	*			cis	-177.3	173.4	48.9	53.2	0	0	0	0	114.9
73	S	36	Very low	32.3	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	79%	0.785	S	S	*	*			trans	67.4	137.8	155.7	52.6	0	0	0	0	118.9
74	S	36.6	Very low	32	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	79%	0.786	S	S	*	*			cis	-163.2	147.8	-2.1	-99.8	0	0	0	0	112.4
75	Q	35.6	Very low	31.7	Very low	166 Å²	166	136.1 Å²	136.1	78%	0.776	78%	0.784	S	S	*	*			trans	57	132.2	144.2	-59.7	171.8	-47.8	0	0	119.4
76	D	35.6	Very low	31.6	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	79%	0.787	S	S	*	*			cis	-158.5	175.8	-11.7	-96.6	-40.2	0	0	0	106.2
77	T	32.2	Very low	31.7	Very low	134 Å²	134	140 Å²	140	82%	0.822	79%	0.792	S	S	*	*			cis	-145.7	169.2	17.6	-33.5	0	0	0	0	109.7
78	C	26.1	Very low	31.5	Very low	112 Å²	112	139 Å²	139	76%	0.757	79%	0.786	S	S	*	*			trans	-148.7	147.3	178.2	-179.5	0	0	0	0	112.4
79	T	33.6	Very low	31.4	Very low	132 Å²	132	139.9 Å²	139.9	81%	0.81	78%	0.782	S	S	*	*			trans	-172.8	133.6	159.8	32	0	0	0	0	108.1
80	T	31.4	Very low	31.4	Very low	116 Å²	116	142.5 Å²	142.5	71%	0.712	78%	0.783	S	S	*	*			cis	-160	129	-5.8	-56.8	0	0	0	0	108.3
81	Q	30.7	Very low	31.3	Very low	195 Å²	195	141.8 Å²	141.8	91%	0.911	78%	0.776	S	S	*	*			trans	-169.2	99.6	147.2	-112.2	176.7	24.1	0	0	111.8
82	Q	28.9	Very low	31.3	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	79%	0.785	S	S	*	*			trans	-144.4	152.8	160.3	-102.2	-169	-8.1	0	0	109.5
83	N	31.3	Very low	31.1	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	78%	0.781	S	S	*	*			trans	91.9	110.8	-170.8	-56	-32.4	0	0	0	112.4
84	R	29.2	Very low	30.7	Very low	245 Å²	245	152 Å²	152	93%	0.925	78%	0.784	S	S	*	*			cis	-158.1	143.7	41.6	-143.7	169.9	-173.4	150.7	-1	111
85	S	27.1	Very low	30.4	Very low	100 Å²	100	155.8 Å²	155.8	70%	0.699	80%	0.796	S	S	*	*			trans	-84.7	175.1	167.1	49.8	0	0	0	0	111.5
86	Q	30.4	Very low	30	Very low	172 Å²	172	155.7 Å²	155.7	80%	0.804	80%	0.8	S	S	*	*			trans	91.6	141.5	166.9	-57.6	-178.6	-24.4	0	0	118
87	T	32.1	Very low	29.7	Very low	125 Å²	125	154 Å²	154	77%	0.767	80%	0.799	S	S	*	*			trans	62.4	139.2	173.9	64	0	0	0	0	117.3
88	D	30.7	Very low	29.7	Very low	141 Å²	141	152.9 Å²	152.9	75%	0.754	80%	0.796	S	S	*	*			cis	-177.6	161.6	-34.5	-107.9	-43.5	0	0	0	104.8
89	T	29.3	Very low	30	Very low	110 Å²	110	151 Å²	151	68%	0.675	80%	0.796	S	S	*	*			trans	-26.4	152.9	170.5	61.1	0	0	0	0	120
90	H	29.7	Very low	30	Very low	183 Å²	183	151.2 Å²	151.2	85%	0.847	80%	0.798	S	S	*	*			trans	89.8	150	152.2	-76.4	-75	0	0	0	120.9
91	E	30.2	Very low	29.8	Very low	155 Å²	155	150.7 Å²	150.7	72%	0.724	80%	0.799	S	S	*	*			trans	87.1	76.8	152.5	-129.7	167.8	-173.7	0	0	120.6	T93	E91-T93 VanDerWaalsContact C-N 3.27Å; E91-T93 PolarHBondContact O-N 3.1Å
92	Y	26.6	Very low	29.9	Very low	247 Å²	247	149.6 Å²	149.6	97%	0.969	80%	0.798	S	S	*	*			trans	-82.1	64.8	150.8	-117.3	-84	0	0	0	110.9
93	T	30.1	Very low	30	Very low	99 Å²	99	149.1 Å²	149.1	61%	0.607	80%	0.796	S	S	*	*			trans	-150.3	145.8	164	-29.8	0	0	0	0	111.6	E91	E91-T93 VanDerWaalsContact C-N 3.27Å; E91-T93 PolarHBondContact O-N 3.1Å
94	K	27.6	Very low	30.1	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	79%	0.791	S	S	*	*			trans	58.8	108	172.4	-62.8	177.5	-179.2	172.2	0	116.9
95	L	30.3	Very low	30.1	Very low	177 Å²	177	141.4 Å²	141.4	93%	0.927	78%	0.777	S	S	*	*				-141.4	108.8	118	-93.2	-176.8	0	0	0	109.2
96	L	27.5	Very low	30.4	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	78%	0.778	S	S	*	*			trans	-131.2	134.3	173.1	-150.1	169.2	0	0	0	104.7
97	S	28.9	Very low	30.6	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	78%	0.777	S	S	*	*			trans	67.6	142.8	-161.6	81.9	0	0	0	0	113.1
98	S	32.4	Very low	30.6	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	78%	0.779	S	S	*	*			cis	-162.3	144.6	30.5	48.7	0	0	0	0	113.3
99	G	31.7	Very low	30.9	Very low	73 Å²	73	142 Å²	142	75%	0.753	78%	0.776	S	S	*	*			trans	73.9	144.3	163	0	0	0	0	0	116.3
100	T	33.2	Very low	31.1	Very low	137 Å²	137	143.9 Å²	143.9	84%	0.84	78%	0.782	S	S	*	*			cis	-147.6	135.5	8.4	41.1	0	0	0	0	112.3
101	S	28.7	Very low	31.1	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	78%	0.781	S	S	*	*			trans	-6.7	129.6	158.6	55.1	0	0	0	0	120.4
102	L	31.8	Very low	31.3	Very low	171 Å²	171	139.5 Å²	139.5	90%	0.895	78%	0.776	S	S	*	*				-155.2	130.2	117.7	-109.6	146.1	0	0	0	112.1
103	H	30.9	Very low	31.6	Very low	172 Å²	172	136.8 Å²	136.8	80%	0.796	77%	0.771	S	S	*	*			trans	-41	151.3	166	-91.1	-137	0	0	0	113
104	T	33	Very low	31.6	Very low	123 Å²	123	140 Å²	140	76%	0.755	78%	0.784	S	S	*	*			cis	-168.3	172	26.8	34	0	0	0	0	108
105	N	30.4	Very low	31.8	Very low	119 Å²	119	136.5 Å²	136.5	64%	0.636	78%	0.78	S	S	*	*			cis	-173.9	157	-29.5	-169.1	4.1	0	0	0	106.4
106	Y	32.6	Very low	31.8	Very low	182 Å²	182	138.4 Å²	138.4	71%	0.714	78%	0.777	S	S	*	*			trans	73.7	109.9	171.6	-68	-71.1	0	0	0	122.6
107	N	34.1	Very low	32	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	78%	0.778	S	S	*	*			trans	73.4	115.2	133.3	-64.3	-2.4	0	0	0	122.6
108	S	32.5	Very low	32.2	Very low	115 Å²	115	138.5 Å²	138.5	80%	0.804	78%	0.779	S	S	*	*			trans	-74.9	-177.6	171.5	-23.9	0	0	0	0	113.8
109	P	37.1	Very low	32.2	Very low	107 Å²	107	138.2 Å²	138.2	70%	0.695	78%	0.777	S	S	*	*			cis	-135.8	-179.8	-2.7	35.8	-15.5	0	0	0	116.7
110	N	33.4	Very low	32.2	Very low	149 Å²	149	143 Å²	143	80%	0.797	78%	0.779	S	S	*	*			trans	95.8	101.5	158.4	-62	-24.3	0	0	0	119.6
111	L	31	Very low	32.1	Very low	158 Å²	158	142.7 Å²	142.7	83%	0.827	78%	0.778	S	S	*	*			trans	-27.7	129.2	147.3	-80.9	56	0	0	0	112.2
112	S	32.8	Very low	32.4	Very low	88 Å²	88	146.5 Å²	146.5	62%	0.615	78%	0.781	S	S	*	*				73.8	98.5	58.7	84.7	0	0	0	0	114.7
113	H	34.6	Very low	32.5	Very low	189 Å²	189	145.4 Å²	145.4	88%	0.875	78%	0.775	S	S	*	*			trans	16	117.3	144.9	-66.9	-94	0	0	0	119.2
114	L	29.8	Very low	32.5	Very low	168 Å²	168	143.8 Å²	143.8	88%	0.88	77%	0.773	S	S	*	*			trans	-152.1	120.7	153.3	-109.8	151.6	0	0	0	108.6
115	P	30.4	Very low	32.6	Very low	111 Å²	111	144.9 Å²	144.9	72%	0.721	77%	0.769	S	S	*	*			trans	-92.4	115.3	173.9	32.9	-28	0	0	0	110.2
116	Y	31.8	Very low	33	Very low	218 Å²	218	149.2 Å²	149.2	86%	0.855	78%	0.776	S	S	*	*			trans	-177.1	104	152.3	-115.1	-78.2	0	0	0	109.6	I118	Y116-I118 HydrophobicContact CD1-CG1 4.32Å; Y116-I118 PolarHBondContact O-N 2.89Å
117	S	30.6	Very low	33.1	Very low	127 Å²	127	147.5 Å²	147.5	89%	0.888	78%	0.779	S	S	*	*			trans	-85.1	85.1	170.6	58	0	0	0	0	110.1
118	I	32.9	Very low	33.1	Very low	138 Å²	138	146.8 Å²	146.8	71%	0.708	77%	0.774	S	S	*	*			trans	-74.5	128.1	165	-68	174.5	0	0	0	107.7	Y116 E120	Y116-I118 HydrophobicContact CD1-CG1 4.32Å; Y116-I118 PolarHBondContact O-N 2.89Å; I118-E120 PolarHBondContact O-N 2.99Å
119	S	33.4	Very low	33.3	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	77%	0.765	S	S	*	*			trans	-64.5	117.3	176.3	53.6	0	0	0	0	111.2	T121	S119-T121 PolarHBondContact O-N 3.45Å
120	E	30.6	Very low	33.3	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	76%	0.763	S	S	*	*			trans	-65.8	114.8	174.8	-62.8	180	121.2	0	0	111.4	I118	I118-E120 PolarHBondContact O-N 2.99Å
121	T	32	Very low	33.5	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	75%	0.754	S	S	*	*	S	Bend	trans	-170.4	66.1	151.9	32.5	0	0	0	0	110.5	S119	S119-T121 PolarHBondContact O-N 3.45Å
122	K	35.4	Very low	33.7	Very low	186 Å²	186	143.2 Å²	143.2	81%	0.809	75%	0.745	S	S	*	*	S	Bend	trans	-176.2	4.4	157.1	-111.1	169.9	-177.4	-178.5	0	116.1
123	L	32.9	Very low	33.9	Very low	148 Å²	148	147.9 Å²	147.9	78%	0.775	75%	0.75	S	S	*	*	S	Bend	trans	-97.1	-5	-173.8	-145.9	72.3	0	0	0	115.5
124	N	31.5	Very low	33.7	Very low	138 Å²	138	147.7 Å²	147.7	74%	0.738	74%	0.742	S	S	*	*	S	Bend	trans	-102	-1.3	-175.5	-78.1	-13.1	0	0	0	116.2
125	E	35.5	Very low	33.8	Very low	145 Å²	145	147.1 Å²	147.1	68%	0.678	73%	0.734	S	S	*	*	S	Bend	trans	-94	-34	170.1	-75.1	174.9	143.5	0	0	112.2	L127 L128	E125-L127 PolarHBondContact O-N 2.94Å; E125-L128 PolarHBondContact O-N 3.1Å
126	R	37.2	Very low	33.9	Very low	210 Å²	210	151.3 Å²	151.3	79%	0.792	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	4.2	-173	-75.4	-171.8	169.1	180	-1	116.7
127	L	34.6	Very low	34	Very low	147 Å²	147	146 Å²	146	77%	0.77	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-0.4	175.2	-79.1	170.4	0	0	0	114.5	E125	E125-L127 PolarHBondContact O-N 2.94Å
128	L	35.3	Very low	34	Very low	132 Å²	132	147 Å²	147	69%	0.691	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-24.5	174.2	-91.8	154.4	0	0	0	113.6	E125 N130	E125-L128 PolarHBondContact O-N 3.1Å; L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 2.81Å
129	D	35.6	Very low	33.8	Very low	114 Å²	114	149.7 Å²	149.7	61%	0.61	73%	0.73	S	S	*	*	H	α-helix	trans	-74.2	-13.4	178.3	-69.3	-28.3	0	0	0	114.9	V131	D129-V131 PolarHBondContact O-N 3.07Å
130	N	38.8	Very low	33.7	Very low	123 Å²	123	151.5 Å²	151.5	66%	0.658	74%	0.736	S	S	*	*	H	α-helix	trans	-86	-0	-176.8	-92.3	-42.1	0	0	0	115.5	L128	L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 2.81Å
131	V	35.8	Very low	33.8	Very low	99 Å²	99	150.7 Å²	150.7	60%	0.6	74%	0.738	S	S	*	*	H	α-helix	trans	-95.9	-35.5	176	-179.4	0	0	0	0	111.8	D129	D129-V131 PolarHBondContact O-N 3.07Å
132	N	35.8	Very low	33.6	Very low	119 Å²	119	153.9 Å²	153.9	64%	0.636	74%	0.743	S	S	*	*	H	α-helix	trans	-85.1	-15	-175.6	-69.8	-32.7	0	0	0	114.3	W134	N132-W134 VanDerWaalsContact C-N 3.3Å; N132-W134 PolarHBondContact O-N 3.38Å
133	Y	36.3	Very low	33.6	Very low	185 Å²	185	151 Å²	151	73%	0.725	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-11.7	179	-155.8	-97.7	0	0	0	114
134	W	30.6	Very low	33.7	Very low	186 Å²	186	149 Å²	149	71%	0.705	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-4	-179.4	-98.2	92	0	0	0	115.6	N132 F138	N132-W134 VanDerWaalsContact C-N 3.3Å; N132-W134 PolarHBondContact O-N 3.38Å; W134-F138 HydrophobicContact CZ3-CE2 4.08Å
135	Q	33.7	Very low	33.7	Very low	155 Å²	155	147 Å²	147	72%	0.724	74%	0.739	S	S	*	*	S	Bend	trans	-99.1	-4.9	177.1	-82.1	-173.8	-49.1	0	0	114.7
136	K	31.9	Very low	33.6	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	74%	0.74	S	S	*	*	S	Bend	trans	-99.7	1.1	-175.9	-137.4	172.5	-174.3	177.4	0	115
137	T	33.1	Very low	33.3	Very low	106 Å²	106	143 Å²	143	65%	0.65	74%	0.738	S	S	*	*	S	Bend	trans	-116.8	1	-172.9	-14.1	0	0	0	0	113.8
138	F	30	Very low	33.2	Very low	150 Å²	150	141.6 Å²	141.6	66%	0.658	74%	0.741	S	S	*	*	S	Bend	trans	-137.9	94.7	174.6	-78.9	-89.2	0	0	0	109.5	W134	W134-F138 HydrophobicContact CZ3-CE2 4.08Å
139	H	30.3	Very low	32.8	Very low	194 Å²	194	145.1 Å²	145.1	90%	0.898	75%	0.746	S	S	*	*			trans	159.8	77.5	149.6	-90.7	-69.3	0	0	0	111.4
140	T	30.5	Very low	32.8	Very low	142 Å²	142	146.3 Å²	146.3	87%	0.871	75%	0.752	S	S	*	*			trans	-143.1	74.4	155.8	54.1	0	0	0	0	109.8
141	N	32	Very low	32.3	Very low	156 Å²	156	147.3 Å²	147.3	83%	0.834	76%	0.756	S	S	*	*			trans	-112.7	128.2	154.3	-86.4	-13.3	0	0	0	106.5
142	E	28.6	Very low	32.2	Very low	197 Å²	197	150.5 Å²	150.5	92%	0.921	77%	0.768	S	S	*	*			trans	-63.8	141.3	174.7	-63	172.3	115.1	0	0	111
143	P	36.2	Very low	31.9	Very low	125 Å²	125	152.1 Å²	152.1	81%	0.812	77%	0.772	S	S	*	*			trans	-105.9	125.6	149.2	17.3	0.5	0	0	0	109.6
144	S	33.6	Very low	31.8	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	77%	0.772	S	S	*	*			trans	-66.7	144.3	174.4	50.9	0	0	0	0	113.2
145	S	32.6	Very low	31.9	Very low	96 Å²	96	148.3 Å²	148.3	67%	0.671	78%	0.775	S	S	*	*			trans	62.1	129.6	145.3	59.6	0	0	0	0	121.4
146	D	33.1	Very low	31.8	Very low	134 Å²	134	145.9 Å²	145.9	72%	0.717	77%	0.771	S	S	*	*			trans	87.1	100.8	143.2	-63.2	-15.5	0	0	0	121.8
147	N	31.6	Very low	31.6	Very low	137 Å²	137	142 Å²	142	73%	0.733	76%	0.764	S	S	*	*				54.8	104.6	119.5	-54	-39.5	0	0	0	118.9
148	S	32.4	Very low	31.5	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	77%	0.766	S	S	*	*				170.6	172.5	94.7	49.9	0	0	0	0	112.9
149	Y	26.3	Very low	31.4	Very low	205 Å²	205	141 Å²	141	80%	0.804	77%	0.77	S	S	*	*			trans	-91.3	170.2	-156.6	-74.3	-101.5	0	0	0	116.4
150	N	34.7	Very low	31.5	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	76%	0.761	S	S	*	*			trans	103.4	99	159.2	-52	-42.7	0	0	0	114.3
151	I	29.6	Very low	31.5	Very low	145 Å²	145	136.2 Å²	136.2	74%	0.744	75%	0.754	S	S	*	*				57.9	108.1	69.8	-48.1	171.4	0	0	0	112.8
152	I	32.6	Very low	31.8	Very low	165 Å²	165	136.3 Å²	136.3	85%	0.846	75%	0.753	S	S	*	*				-176.8	140.4	120.3	-90.2	161.7	0	0	0	109.3
153	E	30.7	Very low	32	Very low	153 Å²	153	132.1 Å²	132.1	72%	0.715	74%	0.743	S	S	*	*			trans	-81.8	157.1	-179.2	-44.4	167.3	122.7	0	0	113.1
154	K	33.4	Very low	32.2	Very low	169 Å²	169	131.3 Å²	131.3	74%	0.735	74%	0.738	S	S	*	*				160	144.4	104	-106.4	161	-172.3	164.2	0	115.8
155	T	32.4	Very low	32.1	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	74%	0.739	S	S	*	*			trans	71.6	140.3	137.9	-65.6	0	0	0	0	119
156	T	32.2	Very low	32.2	Very low	104 Å²	104	133.3 Å²	133.3	64%	0.638	74%	0.742	S	S	*	*			cis	-170.9	134.6	-13.6	-93	0	0	0	0	110.4
157	T	27.8	Very low	32	Very low	118 Å²	118	132.5 Å²	132.5	72%	0.724	74%	0.742	S	S	*	*			trans	49.6	157.8	155.3	62.6	0	0	0	0	125.8
158	T	31.1	Very low	31.7	Very low	113 Å²	113	131 Å²	131	69%	0.693	74%	0.741	S	S	*	*			trans	91.5	88.7	140	30.6	0	0	0	0	121.8
159	T	28.5	Very low	31.8	Very low	122 Å²	122	134.2 Å²	134.2	75%	0.748	74%	0.742	S	S	*	*				65.2	153.4	122.6	38.5	0	0	0	0	124.4
160	T	31.9	Very low	31.9	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	74%	0.74	S	S	*	*			trans	88.6	98.3	149.6	24.9	0	0	0	0	120.5
161	T	31	Very low	31.8	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	75%	0.746	S	S	*	*				60.7	123.1	129.9	53.2	0	0	0	0	121.1
162	I	36.9	Very low	31.8	Very low	158 Å²	158	130 Å²	130	81%	0.81	74%	0.742	S	S	*	*				172.2	136.6	114.3	-84.4	152.1	0	0	0	109.8
163	P	33.1	Very low	31.9	Very low	109 Å²	109	129.8 Å²	129.8	71%	0.708	74%	0.74	S	S	*	*			trans	-108.8	-172.5	171.7	42.5	-34.7	0	0	0	111.8
164	P	40.1	Very low	32	Very low	108 Å²	108	127.4 Å²	127.4	70%	0.701	74%	0.736	S	S	*	*			cis	-130.5	-166	-29.5	29.2	-6.9	0	0	0	113.4
165	T	31.9	Very low	32.2	Very low	125 Å²	125	126.1 Å²	126.1	77%	0.767	74%	0.738	S	S	*	*			trans	85.3	148	149.5	35	0	0	0	0	123.2
166	T	34	Very low	32.4	Very low	120 Å²	120	126.9 Å²	126.9	74%	0.736	74%	0.737	S	S	*	*			trans	85.5	101.3	157.7	20.8	0	0	0	0	121.7
167	T	29.9	Very low	32.6	Very low	116 Å²	116	130 Å²	130	71%	0.712	75%	0.75	S	S	*	*				50.5	128.4	128.3	50.4	0	0	0	0	122.8
168	C	26.1	Very low	32.8	Very low	106 Å²	106	130.8 Å²	130.8	72%	0.716	75%	0.754	S	S	*	*			trans	43.8	118.8	133.9	-50.1	0	0	0	0	119.3
169	H	33	Very low	33	Very low	186 Å²	186	132.9 Å²	132.9	86%	0.861	76%	0.76	S	S	*	*				-174.5	152	100.5	-105.4	-82.5	0	0	0	112.5
170	I	29.8	Very low	33.1	Very low	147 Å²	147	135.6 Å²	135.6	75%	0.754	76%	0.764	S	S	*	*			trans	-71	139.6	168.8	-65.4	158.9	0	0	0	109.1
171	N	32.1	Very low	33.2	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	77%	0.771	S	S	*	*			trans	-165.3	153.2	138.8	-98.2	-20.4	0	0	0	113.3
172	S	29	Very low	33.5	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	77%	0.773	S	S	*	*			trans	-92.4	152.5	-167.7	54.7	0	0	0	0	115.3
173	I	34.2	Very low	33.8	Very low	160 Å²	160	141.6 Å²	141.6	82%	0.821	78%	0.776	S	S	*	*			trans	-154.4	95.1	145.6	-80.9	117.8	0	0	0	105
174	T	34.3	Very low	34.2	Very low	103 Å²	103	142.8 Å²	142.8	63%	0.632	78%	0.775	S	S	*	*				51	105	93	64.5	0	0	0	0	115.4
175	N	35.8	Very low	34.3	Very low	142 Å²	142	141 Å²	141	76%	0.759	76%	0.764	S	S	*	*				-177.6	112.9	111.6	-88.1	2	0	0	0	112.4
176	D	36.6	Very low	35.1	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	76%	0.762	S	S	*	*			trans	40	101.3	138.2	-52.7	-17.5	0	0	0	120.6
177	N	37.6	Very low	36	Very low	169 Å²	169	139.4 Å²	139.4	90%	0.904	75%	0.754	S	S	*	*			trans	-147	117.4	132.1	-94.7	-47.6	0	0	0	109.3	I179	N177-I179 PolarHBondContact O-N 3.45Å
178	T	31.2	Very low	36.8	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	74%	0.744	S	S	*	*			trans	-75.7	114.9	-169.5	41.1	0	0	0	0	113.8
179	I	35.8	Very low	37.8	Very low	158 Å²	158	139.1 Å²	139.1	81%	0.81	74%	0.74	S	S	*	*			trans	-129.5	123.4	148.9	-61.7	-177.7	0	0	0	107.6	N177 L181	N177-I179 PolarHBondContact O-N 3.45Å; I179-L181 PolarHBondContact O-N 2.92Å
180	Q	30	Very low	38.3	Very low	178 Å²	178	138.6 Å²	138.6	83%	0.832	73%	0.732	S	S	*	*			trans	-77.2	113.2	-178.7	-65.4	-134.5	35.4	0	0	110.8
181	L	34.4	Very low	39.4	Very low	162 Å²	162	136.6 Å²	136.6	85%	0.848	72%	0.719	S	S	*	*			trans	-106.6	112.3	163.1	-138.6	78.3	0	0	0	109.4	I179	I179-L181 PolarHBondContact O-N 2.92Å
182	H	38.5	Very low	40.2	Very low	167 Å²	167	132.9 Å²	132.9	77%	0.773	70%	0.702	S	S	*	*			trans	-57.5	145.9	-178.3	-122.4	-107.6	0	0	0	111.9	I184	H182-I184 PolarHBondContact O-N 3.48Å
183	H	41.6	Very low	41.3	Very low	190 Å²	190	133.2 Å²	133.2	88%	0.88	70%	0.696	S	S	*	*			trans	-51.9	111.1	173.2	-84.1	-69.2	0	0	0	112
184	I	42.8	Very low	42.2	Very low	134 Å²	134	128.4 Å²	128.4	69%	0.687	67%	0.674	S	S	*	*			trans	-85.7	121.7	159.5	-59.7	177.6	0	0	0	106.9	H182	H182-I184 PolarHBondContact O-N 3.48Å
185	P	41.1	Very low	42.6	Very low	71 Å²	71	128.9 Å²	128.9	46%	0.461	67%	0.669	S	S	.	*			trans	-69	138.3	-178.4	28.5	-34.7	0	0	0	111	T187 N188	P185-T187 PolarHBondContact O-N 2.86Å; P185-N188 PolarHBondContact O-N 2.79Å
186	T	48.5	Very low	43	Very low	118 Å²	118	129.8 Å²	129.8	72%	0.724	66%	0.663	S	S	*	*	H	α-helix	trans	-59.4	-18.1	-177.5	44	0	0	0	0	114.1	L189 Y190	T186-L189 PolarHBondContact O-N 3.44Å; T186-Y190 PolarHBondContact O-N 2.72Å
187	T	52.9	Low	43.6	Very low	93 Å²	93	125.6 Å²	125.6	57%	0.571	64%	0.644	S	S	*	*	H	α-helix	trans	-62.3	-35.3	172.2	43.3	0	0	0	0	113.5	P185 Y190 H191	P185-T187 PolarHBondContact O-N 2.86Å; T187-Y190 PolarHBondContact O-N 2.85Å; T187-H191 PolarHBondContact O-N 3.26Å
188	N	48	Very low	44.2	Very low	95 Å²	95	124 Å²	124	51%	0.508	63%	0.631	S	S	.	*	H	α-helix	trans	-71.9	-38.7	179.3	-80.6	-9.2	0	0	0	111.8	P185 Y190 H191 T192	P185-N188 PolarHBondContact O-N 2.79Å; N188-Y190 VanDerWaalsContact C-N 3.32Å; N188-Y190 PolarHBondContact O-N 3.2Å; N188-H191 PolarHBondContact O-N 3.12Å; N188-T192 PolarHBondContact O-N 3.13Å; N188-T192 PolarHBondContact O-OG1 3.37Å; N188-T192 VanDerWaalsContact O-OG1 3.1Å
189	L	46.5	Very low	45.3	Very low	121 Å²	121	122.8 Å²	122.8	63%	0.634	62%	0.616	S	S	*	*	H	α-helix	trans	-63.5	-41.4	174.4	-161.2	81.1	0	0	0	110.7	T186 T192 I193	T186-L189 PolarHBondContact O-N 3.44Å; L189-T192 PolarHBondContact O-N 3.35Å; L189-I193 HydrophobicContact CD2-CD1 4.16Å; L189-I193 HydrophobicContact CG-CD1 3.95Å; L189-I193 WeakPolarHBondContact O-CB 3.49Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 VanDerWaalsContact O-CG1 3.22Å; L189-I193 WeakPolarHBondContact O-CG1 3.35Å; L189-I193 PolarHBondContact O-N 3.05Å
190	Y	42.7	Very low	46.3	Very low	175 Å²	175	117.7 Å²	117.7	69%	0.686	59%	0.591	S	S	*	*	H	α-helix	trans	-60.2	-43.7	172.4	-111.4	-87.7	0	0	0	112.1	T186 T187 N188 I193 T194	T186-Y190 PolarHBondContact O-N 2.72Å; T187-Y190 PolarHBondContact O-N 2.85Å; N188-Y190 VanDerWaalsContact C-N 3.32Å; N188-Y190 PolarHBondContact O-N 3.2Å; Y190-I193 PolarHBondContact O-N 3.27Å; Y190-T194 WeakPolarHBondContact O-CG2 3.49Å; Y190-T194 PolarHBondContact O-N 3.38Å; Y190-T194 PolarHBondContact O-OG1 3.1Å; Y190-T194 VanDerWaalsContact O-OG1 3.07Å
191	H	53.9	Low	48	Very low	105 Å²	105	115.6 Å²	115.6	49%	0.486	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-37.6	179.2	-159.2	-76.2	0	0	0	113	T187 N188 T194 Q195	T187-H191 PolarHBondContact O-N 3.26Å; N188-H191 PolarHBondContact O-N 3.12Å; H191-T194 WeakPolarHBondContact CA-OG1 3.39Å; H191-T194 PolarHBondContact O-OG1 3.42Å; H191-T194 VanDerWaalsContact O-OG1 3.1Å; H191-Q195 VanDerWaalsContact CE1-CD 3.43Å; H191-Q195 PolarHBondContact CE1-OE1 3.26Å; H191-Q195 PolarHBondContact ND1-OE1 3.29Å; H191-Q195 WeakPolarHBondContact O-CB 3.36Å; H191-Q195 WeakPolarHBondContact O-CG 3.39Å; H191-Q195 PolarHBondContact O-N 2.89Å
192	T	47.8	Very low	50.3	Low	84 Å²	84	113.5 Å²	113.5	52%	0.515	57%	0.567	S	S	.	*	H	α-helix	trans	-67.8	-42.9	173.9	-55.1	0	0	0	0	111	N188 L189 Q195 Y196	N188-T192 PolarHBondContact O-N 3.13Å; N188-T192 PolarHBondContact O-OG1 3.37Å; N188-T192 VanDerWaalsContact O-OG1 3.1Å; L189-T192 PolarHBondContact O-N 3.35Å; T192-Q195 PolarHBondContact O-N 3.49Å; T192-Y196 WeakPolarHBondContact O-CB 3.39Å; T192-Y196 PolarHBondContact O-N 3.47Å
193	I	52.1	Low	52.7	Low	100 Å²	100	114 Å²	114	51%	0.513	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-41.2	176.1	-68.6	166.7	0	0	0	110.9	L189 Y190 Y196 S197	L189-I193 HydrophobicContact CD2-CD1 4.16Å; L189-I193 HydrophobicContact CG-CD1 3.95Å; L189-I193 WeakPolarHBondContact O-CB 3.49Å; L189-I193 WeakPolarHBondContact O-CD1 3.39Å; L189-I193 VanDerWaalsContact O-CG1 3.22Å; L189-I193 WeakPolarHBondContact O-CG1 3.35Å; L189-I193 PolarHBondContact O-N 3.05Å; Y190-I193 PolarHBondContact O-N 3.27Å; I193-Y196 PolarHBondContact O-N 3.29Å; I193-S197 VanDerWaalsContact O-CB 3.31Å; I193-S197 WeakPolarHBondContact O-CB 3.31Å; I193-S197 PolarHBondContact O-N 3.25Å; I193-S197 PolarHBondContact O-OG 3.12Å
194	T	53.4	Low	55.1	Low	59 Å²	59	105.5 Å²	105.5	36%	0.362	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-40.6	176.9	54.6	0	0	0	0	112	Y190 H191 S197 H198	Y190-T194 WeakPolarHBondContact O-CG2 3.49Å; Y190-T194 PolarHBondContact O-N 3.38Å; Y190-T194 PolarHBondContact O-OG1 3.1Å; Y190-T194 VanDerWaalsContact O-OG1 3.07Å; H191-T194 WeakPolarHBondContact CA-OG1 3.39Å; H191-T194 PolarHBondContact O-OG1 3.42Å; H191-T194 VanDerWaalsContact O-OG1 3.1Å; T194-S197 WeakPolarHBondContact CA-OG 3.28Å; T194-S197 PolarHBondContact O-N 3.39Å; T194-S197 PolarHBondContact O-OG 3.41Å; T194-H198 WeakPolarHBondContact O-CB 3.43Å; T194-H198 PolarHBondContact O-N 2.98Å
195	Q	43.7	Very low	57.6	Low	112 Å²	112	100.8 Å²	100.8	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-45.8	173.5	-76.7	-179.1	-62.7	0	0	112.1	H191 T192 S197 H198 E199	H191-Q195 VanDerWaalsContact CE1-CD 3.43Å; H191-Q195 PolarHBondContact CE1-OE1 3.26Å; H191-Q195 PolarHBondContact ND1-OE1 3.29Å; H191-Q195 WeakPolarHBondContact O-CB 3.36Å; H191-Q195 WeakPolarHBondContact O-CG 3.39Å; H191-Q195 PolarHBondContact O-N 2.89Å; T192-Q195 PolarHBondContact O-N 3.49Å; Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 3.46Å; Q195-H198 PolarHBondContact O-N 3.5Å; Q195-H198 VanDerWaalsContact O-N 3.12Å; Q195-E199 PolarHBondContact O-N 3.31Å
196	Y	43.8	Very low	60.3	Low	161 Å²	161	97.4 Å²	97.4	63%	0.631	48%	0.478	S	S	*	.	H	α-helix	trans	-64.7	-30.9	175.9	-136.6	-97	0	0	0	112.3	T192 I193 N200	T192-Y196 WeakPolarHBondContact O-CB 3.39Å; T192-Y196 PolarHBondContact O-N 3.47Å; I193-Y196 PolarHBondContact O-N 3.29Å; Y196-N200 PolarHBondContact O-ND2 3.01Å
197	S	48.4	Very low	62.6	Low	52 Å²	52	92 Å²	92	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-72.3	-35.9	172.3	78.9	0	0	0	0	112.5	I193 T194 Q195 N200 Q201	I193-S197 VanDerWaalsContact O-CB 3.31Å; I193-S197 WeakPolarHBondContact O-CB 3.31Å; I193-S197 PolarHBondContact O-N 3.25Å; I193-S197 PolarHBondContact O-OG 3.12Å; T194-S197 WeakPolarHBondContact CA-OG 3.28Å; T194-S197 PolarHBondContact O-N 3.39Å; T194-S197 PolarHBondContact O-OG 3.41Å; Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 3.46Å; S197-N200 PolarHBondContact O-N 2.95Å; S197-Q201 WeakPolarHBondContact O-CG 3.23Å; S197-Q201 PolarHBondContact O-N 2.88Å; S197-Q201 VanDerWaalsContact O-N 3.13Å
198	H	51.4	Low	64.7	Low	136 Å²	136	87.6 Å²	87.6	63%	0.63	42%	0.417	S	S	*	.	H	α-helix	trans	-69.7	-43	-179.7	-109.5	-82.3	0	0	0	112.3	T194 Q195 N200 Q201 Q202	T194-H198 WeakPolarHBondContact O-CB 3.43Å; T194-H198 PolarHBondContact O-N 2.98Å; Q195-H198 PolarHBondContact O-N 3.5Å; Q195-H198 VanDerWaalsContact O-N 3.12Å; H198-N200 VanDerWaalsContact C-N 3.27Å; H198-N200 PolarHBondContact O-N 2.86Å; H198-Q201 PolarHBondContact O-N 3.27Å; H198-Q202 PolarHBondContact O-N 3.49Å; H198-Q202 VanDerWaalsContact O-N 3.1Å
199	E	54.7	Low	67	Low	108 Å²	108	84.6 Å²	84.6	51%	0.505	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-36.1	174.4	-72.1	-168.3	177.6	0	0	112	Q195 Q201 Q202	Q195-E199 PolarHBondContact O-N 3.31Å; E199-Q201 VanDerWaalsContact C-N 3.32Å; E199-Q201 PolarHBondContact O-N 3.5Å; E199-Q202 PolarHBondContact O-N 2.9Å
200	N	56.7	Low	69.3	Low	51 Å²	51	81 Å²	81	27%	0.273	40%	0.396	S	S	.	.	H	α-helix	trans	-76.2	-17.8	178.8	-76.1	-52.4	0	0	0	113.8	Y196 S197 H198 S218 R221	Y196-N200 PolarHBondContact O-ND2 3.01Å; S197-N200 PolarHBondContact O-N 2.95Å; H198-N200 VanDerWaalsContact C-N 3.27Å; H198-N200 PolarHBondContact O-N 2.86Å; N200-S218 VanDerWaalsContact O-CB 3.23Å; N200-S218 WeakPolarHBondContact O-CB 3.46Å; N200-S218 PolarHBondContact O-OG 2.89Å; N200-R221 PolarHBondContact OD1-NH1 3.44Å
201	Q	65.7	Low	71.9	Confident	133 Å²	133	75.7 Å²	75.7	62%	0.621	38%	0.379	S	S	*	.	H	α-helix	trans	-98.2	-4	174.2	-71.9	-171.1	-11.4	0	0	113.9	S197 H198 E199 R203	S197-Q201 WeakPolarHBondContact O-CG 3.23Å; S197-Q201 PolarHBondContact O-N 2.88Å; S197-Q201 VanDerWaalsContact O-N 3.13Å; H198-Q201 PolarHBondContact O-N 3.27Å; E199-Q201 VanDerWaalsContact C-N 3.32Å; E199-Q201 PolarHBondContact O-N 3.5Å; Q201-R203 PolarHBondContact O-N 3.42Å
202	Q	81.2	Confident	73.9	Confident	118 Å²	118	77.7 Å²	77.7	55%	0.551	38%	0.383	S	S	*	.			trans	-60.9	125.9	-179.5	-170.1	170.4	-1.9	0	0	110.8	H198 E199 F217	H198-Q202 PolarHBondContact O-N 3.49Å; H198-Q202 VanDerWaalsContact O-N 3.1Å; E199-Q202 PolarHBondContact O-N 2.9Å; Q202-F217 PolarHBondContact O-N 3.03Å
203	R	89.8	Confident	76.2	Confident	179 Å²	179	75 Å²	75	68%	0.675	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.7	174.8	-64	-170.1	-173	-167.6	5	110.6	Q201 E214 T215	Q201-R203 PolarHBondContact O-N 3.42Å; R203-E214 WeakPolarHBondContact CD-OE2 3.4Å; R203-E214 IonicContact CZ-OE2 3.9Å; R203-E214 IonicContact NH1-OE2 2.89Å; R203-E214 PolarHBondContact NH1-OE2 3.04Å; R203-T215 CarbonylContact C-O 3.57Å; R203-T215 VanDerWaalsContact CA-O 3.28Å; R203-T215 WeakPolarHBondContact CA-O 3.42Å
204	I	92.5	Very high	78.3	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.056	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.9	175.6	179.6	171.6	0	0	0	108.8	L206 E214 T215 L220 L234 Y245	I204-L206 HydrophobicContact CD1-CD2 3.86Å; I204-L206 HydrophobicContact CG1-CD2 3.88Å; I204-E214 WeakPolarHBondContact O-CA 3.32Å; I204-T215 HydrophobicContact CG2-CG2 3.54Å; I204-T215 WeakPolarHBondContact CG2-O 3.49Å; I204-T215 PolarHBondContact N-O 3.13Å; I204-T215 PolarHBondContact O-N 3.45Å; I204-T215 VanDerWaalsContact O-N 3.12Å; I204-L220 HydrophobicContact CD1-CD1 3.92Å; I204-L220 HydrophobicContact CG2-CD1 3.95Å; I204-L234 HydrophobicContact CD1-CD2 3.84Å; I204-Y245 HydrophobicContact CD1-CD2 3.53Å; I204-Y245 HydrophobicContact CD1-CE2 3.34Å; I204-Y245 HydrophobicContact CG1-CD2 3.67Å; I204-Y245 HydrophobicContact CG1-CE2 3.7Å
205	V	95.8	Very high	80.3	Confident	34 Å²	34	73.2 Å²	73.2	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.5	176.8	-174.6	0	0	0	0	108.9	R212 F213 E214 E244 Y245	V205-R212 HydrophobicContact CG1-CB 4.31Å; V205-R212 HydrophobicContact CG1-CG 4.2Å; V205-F213 WeakPolarHBondContact CA-O 3.44Å; V205-E214 HydrophobicContact CG2-CG 4.32Å; V205-E244 HydrophobicContact CB-CB 3.85Å; V205-E244 HydrophobicContact CG1-CB 3.79Å; V205-E244 WeakPolarHBondContact O-CA 3.48Å; V205-Y245 PolarHBondContact O-N 2.87Å
206	L	96.7	Very high	82.6	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.4	177.8	-52.7	176.3	0	0	0	107.5	I204 F213 T215 L220 L228 Y245 F254 L258	I204-L206 HydrophobicContact CD1-CD2 3.86Å; I204-L206 HydrophobicContact CG1-CD2 3.88Å; L206-F213 HydrophobicContact CB-CB 4.46Å; L206-F213 PolarHBondContact N-O 3.08Å; L206-F213 PolarHBondContact O-N 3.11Å; L206-T215 HydrophobicContact CD1-CG2 4.25Å; L206-L220 HydrophobicContact CD1-CD1 4.37Å; L206-L228 HydrophobicContact CD1-CD1 4.49Å; L206-Y245 CarbonylContact C-O 3.6Å; L206-Y245 HydrophobicContact CD2-CD2 4.19Å; L206-Y245 HydrophobicContact CD2-CG 4.32Å; L206-F254 HydrophobicContact CB-CE1 4.21Å; L206-F254 HydrophobicContact CB-CZ 4.16Å; L206-F254 HydrophobicContact CD1-CE1 4.11Å; L206-F254 HydrophobicContact CD1-CZ 3.73Å; L206-L258 HydrophobicContact CD1-CD1 4.4Å
207	N	97.3	Very high	84.9	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.9	-176.9	-178.8	0.8	0	0	0	110.2	G210 L211 R212 E244 Y245 F246 F247	N207-G210 VanDerWaalsContact OD1-C 3.31Å; N207-G210 WeakPolarHBondContact OD1-CA 3.36Å; N207-G210 PolarHBondContact OD1-N 3.05Å; N207-L211 WeakPolarHBondContact CA-O 3.48Å; N207-L211 PolarHBondContact OD1-N 3Å; N207-R212 HydrophobicContact CB-CG 4.33Å; N207-E244 HydrophobicContact CB-CG 4.11Å; N207-E244 PolarHBondContact ND2-OE1 3.43Å; N207-Y245 PolarHBondContact N-O 2.83Å; N207-F246 HydrophobicContact CB-CD2 4.21Å; N207-F246 WeakPolarHBondContact O-CA 3.5Å; N207-F247 PolarHBondContact O-N 2.82Å
208	I	97.7	Very high	86.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	101.7	-177.5	-44.2	-58.2	0	0	0	108.6	G210 L211 F213 F247 R249 R251 F254	I208-G210 PolarHBondContact O-N 3.16Å; I208-L211 PolarHBondContact N-O 2.98Å; I208-L211 WeakPolarHBondContact O-CB 3.36Å; I208-L211 PolarHBondContact O-N 3.07Å; I208-F213 HydrophobicContact CB-CE2 4.2Å; I208-F213 HydrophobicContact CG1-CD2 3.75Å; I208-F213 HydrophobicContact CG1-CE2 3.74Å; I208-F247 CarbonylContact C-O 3.5Å; I208-F247 WeakPolarHBondContact CA-O 3.36Å; I208-F247 HydrophobicContact CD1-CB 3.8Å; I208-F247 HydrophobicContact CD1-CD2 3.7Å; I208-F247 HydrophobicContact CD1-CG 4.05Å; I208-R249 HydrophobicContact CG2-CB 4.46Å; I208-R251 HydrophobicContact CG2-CG 4.39Å; I208-R251 VanDerWaalsContact O-CG 3.3Å; I208-R251 WeakPolarHBondContact O-CG 3.28Å; I208-F254 HydrophobicContact CD1-CD1 3.98Å; I208-F254 HydrophobicContact CD1-CD2 3.58Å; I208-F254 HydrophobicContact CD1-CE1 3.97Å; I208-F254 HydrophobicContact CD1-CE2 3.58Å; I208-F254 HydrophobicContact CD1-CG 3.77Å; I208-F254 HydrophobicContact CD1-CZ 3.78Å; I208-F254 HydrophobicContact CG1-CB 3.93Å; I208-F254 HydrophobicContact CG1-CD1 3.6Å; I208-F254 HydrophobicContact CG1-CD2 3.88Å; I208-F254 HydrophobicContact CG1-CE1 4Å; I208-F254 HydrophobicContact CG1-CE2 4.26Å; I208-F254 HydrophobicContact CG1-CG 3.51Å; I208-F254 HydrophobicContact CG1-CZ 4.32Å; I208-F254 HydrophobicContact CG2-CB 4.24Å
209	S	95.9	Very high	89	Confident	33 Å²	33	60 Å²	60	23%	0.231	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.5	41.5	-175.4	-55.9	0	0	0	0	113.8	F247 D248 R249 R251	S209-F247 PolarHBondContact N-O 2.91Å; S209-D248 VanDerWaalsContact OG-CA 3.3Å; S209-D248 WeakPolarHBondContact OG-CA 3.43Å; S209-D248 PolarHBondContact OG-OD1 2.98Å; S209-R249 PolarHBondContact OG-N 3.3Å; S209-R249 PolarHBondContact OG-O 2.87Å; S209-R251 PolarHBondContact O-NH1 3.29Å
210	G	94.5	Very high	90.9	Very high	45 Å²	45	54.9 Å²	54.9	46%	0.464	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-4.2	-179.4	0	0	0	0	0	116.3	N207 I208	N207-G210 VanDerWaalsContact OD1-C 3.31Å; N207-G210 WeakPolarHBondContact OD1-CA 3.36Å; N207-G210 PolarHBondContact OD1-N 3.05Å; I208-G210 PolarHBondContact O-N 3.16Å
211	L	96.2	Very high	92.6	Very high	64 Å²	64	57.5 Å²	57.5	34%	0.335	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	113.7	170.7	-172.9	55.9	0	0	0	109.8	N207 I208 F213 R251	N207-L211 WeakPolarHBondContact CA-O 3.48Å; N207-L211 PolarHBondContact OD1-N 3Å; I208-L211 PolarHBondContact N-O 2.98Å; I208-L211 WeakPolarHBondContact O-CB 3.36Å; I208-L211 PolarHBondContact O-N 3.07Å; L211-F213 HydrophobicContact CB-CE2 4.07Å; L211-F213 HydrophobicContact CD2-CE2 3.57Å; L211-F213 HydrophobicContact CD2-CZ 3.52Å; L211-F213 HydrophobicContact CG-CD2 4.22Å; L211-F213 HydrophobicContact CG-CE2 3.55Å; L211-F213 HydrophobicContact CG-CZ 3.94Å; L211-R251 HydrophobicContact CB-CG 4.35Å; L211-R251 HydrophobicContact CD2-CB 4.42Å
212	R	96.3	Very high	93.9	Very high	147 Å²	147	56 Å²	56	56%	0.555	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.9	177.7	-69	-176	173	94.3	12.7	111.4	V205 N207 E244	V205-R212 HydrophobicContact CG1-CB 4.31Å; V205-R212 HydrophobicContact CG1-CG 4.2Å; N207-R212 HydrophobicContact CB-CG 4.33Å; R212-E244 IonicContact CZ-OE2 3.17Å; R212-E244 VanDerWaalsContact CZ-OE2 3.3Å; R212-E244 IonicContact NE-OE2 3.82Å; R212-E244 PolarHBondContact NE-OE2 3.07Å; R212-E244 IonicContact NH2-OE1 2.76Å; R212-E244 PolarHBondContact NH2-OE1 2.82Å; R212-E244 IonicContact NH2-OE2 2.7Å; R212-E244 PolarHBondContact NH2-OE2 2.81Å
213	F	96.9	Very high	94.6	Very high	28 Å²	28	52 Å²	52	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145	168.1	-63.9	-99.6	0	0	0	109.3	V205 L206 I208 L211 F254 D255 L258	V205-F213 WeakPolarHBondContact CA-O 3.44Å; L206-F213 HydrophobicContact CB-CB 4.46Å; L206-F213 PolarHBondContact N-O 3.08Å; L206-F213 PolarHBondContact O-N 3.11Å; I208-F213 HydrophobicContact CB-CE2 4.2Å; I208-F213 HydrophobicContact CG1-CD2 3.75Å; I208-F213 HydrophobicContact CG1-CE2 3.74Å; L211-F213 HydrophobicContact CB-CE2 4.07Å; L211-F213 HydrophobicContact CD2-CE2 3.57Å; L211-F213 HydrophobicContact CD2-CZ 3.52Å; L211-F213 HydrophobicContact CG-CD2 4.22Å; L211-F213 HydrophobicContact CG-CE2 3.55Å; L211-F213 HydrophobicContact CG-CZ 3.94Å; F213-F254 HydrophobicContact CB-CD1 4.42Å; F213-F254 HydrophobicContact CB-CE1 4.1Å; F213-F254 HydrophobicContact CD1-CD1 4.02Å; F213-F254 HydrophobicContact CD1-CE1 4.44Å; F213-F254 AromaticContact CD2-CD1 3.49Å; F213-F254 HydrophobicContact CD2-CD1 3.49Å; F213-F254 VanDerWaalsContact CD2-CD1 3.49Å; F213-F254 AromaticContact CD2-CE1 3.93Å; F213-F254 HydrophobicContact CD2-CE1 3.93Å; F213-F254 HydrophobicContact CD2-CG 4.48Å; F213-F254 HydrophobicContact CE1-CD1 4.08Å; F213-F254 HydrophobicContact CE2-CB 4.1Å; F213-F254 AromaticContact CE2-CD1 3.55Å; F213-F254 HydrophobicContact CE2-CD1 3.55Å; F213-F254 HydrophobicContact CE2-CE1 4.43Å; F213-F254 HydrophobicContact CE2-CG 4.21Å; F213-F254 AromaticContact CG-CD1 3.73Å; F213-F254 HydrophobicContact CG-CD1 3.73Å; F213-F254 AromaticContact CG-CE1 3.92Å; F213-F254 HydrophobicContact CG-CE1 3.92Å; F213-F254 HydrophobicContact CZ-CB 4.12Å; F213-F254 AromaticContact CZ-CD1 3.85Å; F213-F254 HydrophobicContact CZ-CD1 3.85Å; F213-F254 HydrophobicContact CZ-CG 4.47Å; F213-D255 HydrophobicContact CE1-CB 4.33Å; F213-L258 HydrophobicContact CB-CD2 3.82Å; F213-L258 HydrophobicContact CD1-CD2 3.77Å; F213-L258 HydrophobicContact CG-CD2 4.16Å
214	E	95.7	Very high	94.8	Very high	108 Å²	108	46.9 Å²	46.9	51%	0.505	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.6	173.6	-75.6	-176.6	-146.8	0	0	110.6	R203 I204 V205	R203-E214 WeakPolarHBondContact CD-OE2 3.4Å; R203-E214 IonicContact CZ-OE2 3.9Å; R203-E214 IonicContact NH1-OE2 2.89Å; R203-E214 PolarHBondContact NH1-OE2 3.04Å; I204-E214 WeakPolarHBondContact O-CA 3.32Å; V205-E214 HydrophobicContact CG2-CG 4.32Å
215	T	94.8	Very high	94.8	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-178.2	169.2	-168	0	0	0	0	110.4	R203 I204 L206 T219 L220 L258	R203-T215 CarbonylContact C-O 3.57Å; R203-T215 VanDerWaalsContact CA-O 3.28Å; R203-T215 WeakPolarHBondContact CA-O 3.42Å; I204-T215 HydrophobicContact CG2-CG2 3.54Å; I204-T215 WeakPolarHBondContact CG2-O 3.49Å; I204-T215 PolarHBondContact N-O 3.13Å; I204-T215 PolarHBondContact O-N 3.45Å; I204-T215 VanDerWaalsContact O-N 3.12Å; L206-T215 HydrophobicContact CD1-CG2 4.25Å; T215-T219 WeakPolarHBondContact OG1-CB 3.29Å; T215-T219 WeakPolarHBondContact OG1-CG2 3.46Å; T215-L220 HydrophobicContact CG2-CD1 4.16Å; T215-L220 HydrophobicContact CG2-CD2 3.99Å; T215-L220 HydrophobicContact CG2-CG 3.91Å; T215-L258 HydrophobicContact CG2-CD1 3.91Å
216	Q	93.5	Very high	94.8	Very high	91 Å²	91	49.8 Å²	49.8	43%	0.425	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	147.8	174.4	-61.2	178	20.5	0	0	110.3	S218 T219 L220	Q216-S218 WeakPolarHBondContact CB-OG 3.17Å; Q216-S218 PolarHBondContact O-N 3.5Å; Q216-S218 PolarHBondContact OE1-OG 3.12Å; Q216-T219 WeakPolarHBondContact O-CB 3.49Å; Q216-T219 PolarHBondContact O-N 3.18Å; Q216-L220 PolarHBondContact O-N 3Å
217	F	90.4	Very high	94.8	Very high	37 Å²	37	50 Å²	50	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-58.8	-35.4	175.7	-152.3	-73.3	0	0	0	111.9	Q202 T219 L220 R221 P231	Q202-F217 PolarHBondContact O-N 3.03Å; F217-T219 VanDerWaalsContact C-N 3.3Å; F217-T219 PolarHBondContact O-N 3.02Å; F217-L220 PolarHBondContact O-N 2.97Å; F217-R221 HydrophobicContact CD1-CG 3.69Å; F217-R221 VanDerWaalsContact CD1-NE 3.26Å; F217-R221 HydrophobicContact CE1-CG 3.75Å; F217-R221 PolarHBondContact O-N 2.94Å; F217-P231 HydrophobicContact CE1-CG 4.47Å; F217-P231 HydrophobicContact CZ-CG 4.25Å
218	S	91.9	Very high	94.7	Very high	35 Å²	35	49.9 Å²	49.9	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-34.3	172.9	54.1	0	0	0	0	113.7	N200 Q216	N200-S218 VanDerWaalsContact O-CB 3.23Å; N200-S218 WeakPolarHBondContact O-CB 3.46Å; N200-S218 PolarHBondContact O-OG 2.89Å; Q216-S218 WeakPolarHBondContact CB-OG 3.17Å; Q216-S218 PolarHBondContact O-N 3.5Å; Q216-S218 PolarHBondContact OE1-OG 3.12Å
219	T	94.5	Very high	94.6	Very high	20 Å²	20	50 Å²	50	12%	0.123	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-42.1	176.6	-63.1	0	0	0	0	111.6	T215 Q216 F217 K222 Q262	T215-T219 WeakPolarHBondContact OG1-CB 3.29Å; T215-T219 WeakPolarHBondContact OG1-CG2 3.46Å; Q216-T219 WeakPolarHBondContact O-CB 3.49Å; Q216-T219 PolarHBondContact O-N 3.18Å; F217-T219 VanDerWaalsContact C-N 3.3Å; F217-T219 PolarHBondContact O-N 3.02Å; T219-K222 WeakPolarHBondContact O-CB 3.42Å; T219-K222 WeakPolarHBondContact O-CG 3.29Å; T219-Q262 HydrophobicContact CG2-CG 4.03Å
220	L	94.8	Very high	94.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-72.4	-40.6	178.2	-60.3	-177.8	0	0	0	111.8	I204 L206 T215 Q216 F217 K222 F223 L228 G229 L234 Y261	I204-L220 HydrophobicContact CD1-CD1 3.92Å; I204-L220 HydrophobicContact CG2-CD1 3.95Å; L206-L220 HydrophobicContact CD1-CD1 4.37Å; T215-L220 HydrophobicContact CG2-CD1 4.16Å; T215-L220 HydrophobicContact CG2-CD2 3.99Å; T215-L220 HydrophobicContact CG2-CG 3.91Å; Q216-L220 PolarHBondContact O-N 3Å; F217-L220 PolarHBondContact O-N 2.97Å; L220-K222 PolarHBondContact O-N 3.4Å; L220-F223 PolarHBondContact O-N 3.31Å; L220-F223 VanDerWaalsContact O-N 3.16Å; L220-L228 HydrophobicContact CD1-CB 4.41Å; L220-L228 HydrophobicContact CD2-CB 4.06Å; L220-L228 HydrophobicContact CD2-CD1 4.49Å; L220-G229 VanDerWaalsContact O-CA 3.29Å; L220-G229 WeakPolarHBondContact O-CA 3.42Å; L220-L234 HydrophobicContact CD1-CD2 4.43Å; L220-Y261 HydrophobicContact CD2-CD1 3.95Å; L220-Y261 HydrophobicContact CD2-CD2 4.26Å; L220-Y261 HydrophobicContact CD2-CE1 4.34Å; L220-Y261 HydrophobicContact CD2-CG 3.93Å
221	R	92.4	Very high	94.3	Very high	105 Å²	105	51.6 Å²	51.6	40%	0.396	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.7	176.1	-82.5	-177.9	179.5	159.7	7.1	114.7	N200 F217 F223	N200-R221 PolarHBondContact OD1-NH1 3.44Å; F217-R221 HydrophobicContact CD1-CG 3.69Å; F217-R221 VanDerWaalsContact CD1-NE 3.26Å; F217-R221 HydrophobicContact CE1-CG 3.75Å; F217-R221 PolarHBondContact O-N 2.94Å; R221-F223 PolarHBondContact O-N 3.09Å
222	K	92.9	Very high	94.2	Very high	102 Å²	102	56.9 Å²	56.9	44%	0.443	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.3	173.5	-66.3	179.7	-171.4	171	0	113.2	T219 L220 Y261 Q262	T219-K222 WeakPolarHBondContact O-CB 3.42Å; T219-K222 WeakPolarHBondContact O-CG 3.29Å; L220-K222 PolarHBondContact O-N 3.4Å; K222-Y261 WeakPolarHBondContact CD-O 3.43Å; K222-Y261 PolarHBondContact NZ-O 2.8Å; K222-Q262 PolarHBondContact NZ-O 2.84Å
223	F	95.9	Very high	94.1	Very high	34 Å²	34	52.3 Å²	52.3	15%	0.149	26%	0.258	C	S	.	.	S	Bend	trans	-125.9	71.4	-176.8	-63.9	-75.5	0	0	0	110.5	L220 R221 N225 T226 G229 Y260 Y261	L220-F223 PolarHBondContact O-N 3.31Å; L220-F223 VanDerWaalsContact O-N 3.16Å; R221-F223 PolarHBondContact O-N 3.09Å; F223-N225 PolarHBondContact O-N 2.9Å; F223-N225 VanDerWaalsContact O-N 3.07Å; F223-T226 HydrophobicContact CB-CG2 3.8Å; F223-T226 PolarHBondContact O-N 2.99Å; F223-T226 PolarHBondContact O-OG1 2.85Å; F223-T226 VanDerWaalsContact O-OG1 3.13Å; F223-G229 WeakPolarHBondContact O-CA 3.47Å; F223-Y260 HydrophobicContact CB-CE1 4.34Å; F223-Y260 HydrophobicContact CD1-CE1 4.12Å; F223-Y260 AromaticContact CD1-CZ 3.91Å; F223-Y260 VanDerWaalsContact CD1-OH 3.28Å; F223-Y260 WeakPolarHBondContact CD1-OH 3.45Å; F223-Y260 HydrophobicContact CD2-CD1 4.24Å; F223-Y260 AromaticContact CD2-CE1 3.63Å; F223-Y260 HydrophobicContact CD2-CE1 3.63Å; F223-Y260 HydrophobicContact CE1-CE1 4.36Å; F223-Y260 AromaticContact CE1-CZ 3.88Å; F223-Y260 WeakPolarHBondContact CE1-OH 3.3Å; F223-Y260 HydrophobicContact CE2-CD1 4.33Å; F223-Y260 AromaticContact CE2-CE1 3.88Å; F223-Y260 HydrophobicContact CE2-CE1 3.88Å; F223-Y260 AromaticContact CG-CE1 3.76Å; F223-Y260 HydrophobicContact CG-CE1 3.76Å; F223-Y260 HydrophobicContact CZ-CE1 4.25Å; F223-Y260 HydrophobicContact CZ-CE2 4.4Å; F223-Y260 AromaticContact CZ-CZ 3.97Å; F223-Y261 HydrophobicContact CB-CD1 4.22Å; F223-Y261 HydrophobicContact CB-CE1 3.97Å; F223-Y261 AromaticContact CD2-CD1 3.8Å; F223-Y261 HydrophobicContact CD2-CD1 3.8Å; F223-Y261 HydrophobicContact CD2-CE1 4.3Å; F223-Y261 HydrophobicContact CD2-CG 4.4Å; F223-Y261 HydrophobicContact CG-CD1 4.48Å
224	P	94.2	Very high	94	Very high	72 Å²	72	51.1 Å²	51.1	47%	0.468	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.7	-167.5	29.5	-37.3	0	0	0	115	N230	P224-N230 WeakPolarHBondContact O-CB 3.36Å; P224-N230 PolarHBondContact O-ND2 2.77Å
225	N	93.3	Very high	93.8	Very high	105 Å²	105	50.9 Å²	50.9	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.7	177.2	-64.4	-27.4	0	0	0	112.5	F223 K233 D288	F223-N225 PolarHBondContact O-N 2.9Å; F223-N225 VanDerWaalsContact O-N 3.07Å; N225-K233 PolarHBondContact O-NZ 2.71Å; N225-D288 WeakPolarHBondContact CB-OD1 3.28Å; N225-D288 PolarHBondContact ND2-OD1 2.68Å
226	T	96.1	Very high	93.8	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-74.8	171	-172.3	75.7	0	0	0	0	112.5	F223 L228 G229 N230 Y261 E286 I287	F223-T226 HydrophobicContact CB-CG2 3.8Å; F223-T226 PolarHBondContact O-N 2.99Å; F223-T226 PolarHBondContact O-OG1 2.85Å; F223-T226 VanDerWaalsContact O-OG1 3.13Å; T226-L228 PolarHBondContact O-N 3.25Å; T226-G229 PolarHBondContact OG1-N 3.33Å; T226-G229 VanDerWaalsContact OG1-N 3.07Å; T226-N230 WeakPolarHBondContact O-CB 3.47Å; T226-N230 PolarHBondContact O-N 3.32Å; T226-Y261 VanDerWaalsContact CB-OH 3.26Å; T226-Y261 WeakPolarHBondContact CB-OH 3.46Å; T226-Y261 HydrophobicContact CG2-CE1 4.47Å; T226-Y261 WeakPolarHBondContact OG1-CE1 3.27Å; T226-Y261 PolarHBondContact OG1-OH 2.75Å; T226-E286 VanDerWaalsContact CA-O 3.26Å; T226-E286 WeakPolarHBondContact CA-O 3.34Å; T226-E286 WeakPolarHBondContact CB-O 3.4Å; T226-E286 WeakPolarHBondContact CG2-O 3.38Å; T226-I287 HydrophobicContact CG2-CD1 4.45Å
227	L	96.1	Very high	93.9	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-46.4	178	-169.5	157.3	0	0	0	111.4	K233 L234 Y237 F247 F284 Y285 E286	L227-K233 HydrophobicContact CG-CB 4.33Å; L227-L234 PolarHBondContact O-N 2.93Å; L227-Y237 HydrophobicContact CD1-CE2 4.1Å; L227-Y237 HydrophobicContact CD2-CD2 4.15Å; L227-Y237 HydrophobicContact CD2-CE2 3.98Å; L227-Y237 HydrophobicContact CG-CE2 4.4Å; L227-F247 HydrophobicContact CD2-CE1 3.64Å; L227-F247 HydrophobicContact CD2-CZ 3.89Å; L227-F284 HydrophobicContact CD1-CD1 4.44Å; L227-F284 HydrophobicContact CD1-CE1 3.92Å; L227-F284 HydrophobicContact CD1-CE2 4.24Å; L227-F284 HydrophobicContact CD1-CZ 3.82Å; L227-F284 VanDerWaalsContact CD1-O 3.3Å; L227-F284 WeakPolarHBondContact CD1-O 3.39Å; L227-Y285 WeakPolarHBondContact CB-O 3.48Å; L227-Y285 PolarHBondContact N-O 2.77Å; L227-E286 HydrophobicContact CB-CB 4.45Å; L227-E286 HydrophobicContact CB-CG 4.44Å
228	L	95.8	Very high	94.1	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-28.4	-177.2	-54.8	179.3	0	0	0	113.1	L206 L220 T226 L234 F247 F254 I257 Y261 Y285	L206-L228 HydrophobicContact CD1-CD1 4.49Å; L220-L228 HydrophobicContact CD1-CB 4.41Å; L220-L228 HydrophobicContact CD2-CB 4.06Å; L220-L228 HydrophobicContact CD2-CD1 4.49Å; T226-L228 PolarHBondContact O-N 3.25Å; L228-L234 HydrophobicContact CD2-CD1 3.94Å; L228-F247 HydrophobicContact CD2-CE1 4.3Å; L228-F247 HydrophobicContact CD2-CE2 3.97Å; L228-F247 HydrophobicContact CD2-CZ 3.54Å; L228-F254 HydrophobicContact CD1-CE2 3.88Å; L228-F254 HydrophobicContact CD1-CZ 3.86Å; L228-I257 HydrophobicContact CD1-CG2 4.27Å; L228-Y261 HydrophobicContact CB-CE1 4.26Å; L228-Y261 HydrophobicContact CB-CE2 4.43Å; L228-Y261 HydrophobicContact CD1-CE2 3.82Å; L228-Y285 HydrophobicContact CD1-CD1 4.16Å; L228-Y285 HydrophobicContact CD2-CD1 4.1Å; L228-Y285 HydrophobicContact CD2-CE1 4.33Å; L228-Y285 HydrophobicContact CG-CD1 4.02Å
229	G	93.9	Very high	94.2	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.1	178	0	0	0	0	0	114	L220 F223 T226 P231	L220-G229 VanDerWaalsContact O-CA 3.29Å; L220-G229 WeakPolarHBondContact O-CA 3.42Å; F223-G229 WeakPolarHBondContact O-CA 3.47Å; T226-G229 PolarHBondContact OG1-N 3.33Å; T226-G229 VanDerWaalsContact OG1-N 3.07Å; G229-P231 WeakPolarHBondContact O-CD 3.5Å
230	N	93.9	Very high	94.2	Very high	40 Å²	40	65.3 Å²	65.3	21%	0.214	31%	0.314	C	S	.	.			trans	-94.8	111.7	179.9	-166	-52.8	0	0	0	111.9	P224 T226 K232 K233 L234	P224-N230 WeakPolarHBondContact O-CB 3.36Å; P224-N230 PolarHBondContact O-ND2 2.77Å; T226-N230 WeakPolarHBondContact O-CB 3.47Å; T226-N230 PolarHBondContact O-N 3.32Å; N230-K232 PolarHBondContact O-N 2.73Å; N230-K232 VanDerWaalsContact O-N 3.11Å; N230-K232 WeakPolarHBondContact OD1-CB 3.11Å; N230-K232 PolarHBondContact OD1-N 3.07Å; N230-K232 VanDerWaalsContact OD1-N 3.08Å; N230-K233 HydrophobicContact CB-CB 4.15Å; N230-K233 HydrophobicContact CB-CD 3.87Å; N230-K233 HydrophobicContact CB-CG 3.89Å; N230-K233 PolarHBondContact O-N 2.63Å; N230-L234 WeakPolarHBondContact O-CB 3.29Å; N230-L234 PolarHBondContact O-N 3.39Å
231	P	91.8	Very high	94.1	Very high	71 Å²	71	73 Å²	73	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-56.8	-34.7	-177.3	-26.1	35.3	0	0	0	113.7	F217 G229 K233 D235	F217-P231 HydrophobicContact CE1-CG 4.47Å; F217-P231 HydrophobicContact CZ-CG 4.25Å; G229-P231 WeakPolarHBondContact O-CD 3.5Å; P231-K233 VanDerWaalsContact C-N 3.33Å; P231-K233 PolarHBondContact O-N 2.7Å; P231-D235 VanDerWaalsContact O-CB 3.29Å; P231-D235 WeakPolarHBondContact O-CB 3.46Å; P231-D235 PolarHBondContact O-N 3.22Å
232	K	92.8	Very high	94.1	Very high	175 Å²	175	75.2 Å²	75.2	76%	0.761	36%	0.362	S	S	*	.	H	α-helix	trans	-74.1	-21.6	-178.4	-60.9	-179.4	180	177.2	0	113.7	N230	N230-K232 PolarHBondContact O-N 2.73Å; N230-K232 VanDerWaalsContact O-N 3.11Å; N230-K232 WeakPolarHBondContact OD1-CB 3.11Å; N230-K232 PolarHBondContact OD1-N 3.07Å; N230-K232 VanDerWaalsContact OD1-N 3.08Å
233	K	94.5	Very high	94.1	Very high	52 Å²	52	75.4 Å²	75.4	23%	0.226	37%	0.368	C	S	.	.	H	α-helix	trans	-85.1	-46.2	173.7	-61.7	-177.9	-175.6	178.6	0	109.6	N225 L227 N230 P231 E286	N225-K233 PolarHBondContact O-NZ 2.71Å; L227-K233 HydrophobicContact CG-CB 4.33Å; N230-K233 HydrophobicContact CB-CB 4.15Å; N230-K233 HydrophobicContact CB-CD 3.87Å; N230-K233 HydrophobicContact CB-CG 3.89Å; N230-K233 PolarHBondContact O-N 2.63Å; P231-K233 VanDerWaalsContact C-N 3.33Å; P231-K233 PolarHBondContact O-N 2.7Å; K233-E286 WeakPolarHBondContact CE-OE2 3.44Å; K233-E286 IonicContact NZ-OE1 3.3Å; K233-E286 IonicContact NZ-OE2 2.71Å; K233-E286 PolarHBondContact NZ-OE2 3.47Å
234	L	94.7	Very high	94.1	Very high	2 Å²	2	74 Å²	74	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-39.2	-178.3	-176.9	58.3	0	0	0	113.7	I204 L220 L227 L228 N230 R236 Y237 Y245 F247	I204-L234 HydrophobicContact CD1-CD2 3.84Å; L220-L234 HydrophobicContact CD1-CD2 4.43Å; L227-L234 PolarHBondContact O-N 2.93Å; L228-L234 HydrophobicContact CD2-CD1 3.94Å; N230-L234 WeakPolarHBondContact O-CB 3.29Å; N230-L234 PolarHBondContact O-N 3.39Å; L234-R236 PolarHBondContact O-N 3.16Å; L234-Y237 PolarHBondContact O-N 2.87Å; L234-Y245 HydrophobicContact CD1-CD1 3.6Å; L234-Y245 HydrophobicContact CD1-CE1 4.08Å; L234-Y245 HydrophobicContact CD1-CG 3.9Å; L234-Y245 HydrophobicContact CD2-CD1 4.48Å; L234-Y245 HydrophobicContact CD2-CE1 4.22Å; L234-Y245 HydrophobicContact CG-CD1 3.64Å; L234-Y245 HydrophobicContact CG-CE1 3.56Å; L234-Y245 HydrophobicContact CG-CG 4.22Å; L234-Y245 VanDerWaalsContact O-CD1 3.3Å; L234-Y245 WeakPolarHBondContact O-CD1 3.28Å; L234-Y245 WeakPolarHBondContact O-CE1 3.26Å; L234-F247 HydrophobicContact CD1-CE2 4.31Å; L234-F247 HydrophobicContact CD1-CZ 3.82Å
235	D	92	Very high	94.2	Very high	104 Å²	104	72.1 Å²	72.1	56%	0.556	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-52.2	-30.2	-178.9	-168.1	57.6	0	0	0	114.1	P231 Y237 Y238	P231-D235 VanDerWaalsContact O-CB 3.29Å; P231-D235 WeakPolarHBondContact O-CB 3.46Å; P231-D235 PolarHBondContact O-N 3.22Å; D235-Y237 PolarHBondContact O-N 3.44Å; D235-Y237 VanDerWaalsContact O-N 3.12Å; D235-Y238 WeakPolarHBondContact O-CB 3.38Å; D235-Y238 PolarHBondContact O-N 3.38Å
236	R	94.1	Very high	94.4	Very high	203 Å²	203	71 Å²	71	77%	0.766	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-62.8	-18.4	178	-58	179	-174.2	-177.2	0.1	114.3	L234	L234-R236 PolarHBondContact O-N 3.16Å
237	Y	95.7	Very high	94.4	Very high	75 Å²	75	71.1 Å²	71.1	29%	0.294	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-105.7	6	-176.9	-61.4	-84.1	0	0	0	112.4	L227 L234 D235 Y245 F246 F247 F284	L227-Y237 HydrophobicContact CD1-CE2 4.1Å; L227-Y237 HydrophobicContact CD2-CD2 4.15Å; L227-Y237 HydrophobicContact CD2-CE2 3.98Å; L227-Y237 HydrophobicContact CG-CE2 4.4Å; L234-Y237 PolarHBondContact O-N 2.87Å; D235-Y237 PolarHBondContact O-N 3.44Å; D235-Y237 VanDerWaalsContact O-N 3.12Å; Y237-Y245 CarbonylContact O-C 3.45Å; Y237-Y245 VanDerWaalsContact O-CA 3.27Å; Y237-Y245 WeakPolarHBondContact O-CA 3.11Å; Y237-F246 PolarHBondContact O-N 3.48Å; Y237-F247 AromaticContact CD1-CD1 3.7Å; Y237-F247 HydrophobicContact CD1-CD1 3.7Å; Y237-F247 AromaticContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CG 4.49Å; Y237-F247 HydrophobicContact CD1-CZ 4.42Å; Y237-F247 AromaticContact CD2-CE1 3.65Å; Y237-F247 HydrophobicContact CD2-CE1 3.65Å; Y237-F247 HydrophobicContact CD2-CZ 4.06Å; Y237-F247 HydrophobicContact CE1-CD1 4.02Å; Y237-F247 HydrophobicContact CE1-CE1 4.05Å; Y237-F247 HydrophobicContact CE2-CE1 4.04Å; Y237-F247 AromaticContact CG-CD1 3.98Å; Y237-F247 HydrophobicContact CG-CD1 3.98Å; Y237-F247 AromaticContact CG-CE1 3.45Å; Y237-F247 HydrophobicContact CG-CE1 3.45Å; Y237-F247 VanDerWaalsContact CG-CE1 3.45Å; Y237-F247 AromaticContact CG-CZ 3.85Å; Y237-F247 HydrophobicContact CG-CZ 3.85Å; Y237-F284 HydrophobicContact CE1-CZ 4.11Å; Y237-F284 AromaticContact CZ-CZ 3.88Å
238	Y	95.5	Very high	94.5	Very high	90 Å²	90	77 Å²	77	35%	0.353	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.5	-173.9	-172.1	-121	0	0	0	113.3	D235 N243 Y245	D235-Y238 WeakPolarHBondContact O-CB 3.38Å; D235-Y238 PolarHBondContact O-N 3.38Å; Y238-N243 PolarHBondContact OH-OD1 3.12Å; Y238-Y245 AromaticContact CD2-CD1 3.99Å; Y238-Y245 HydrophobicContact CD2-CD1 3.99Å; Y238-Y245 HydrophobicContact CD2-CD2 4.02Å; Y238-Y245 AromaticContact CD2-CE1 3.63Å; Y238-Y245 HydrophobicContact CD2-CE1 3.63Å; Y238-Y245 AromaticContact CD2-CE2 3.67Å; Y238-Y245 HydrophobicContact CD2-CE2 3.67Å; Y238-Y245 HydrophobicContact CD2-CG 4.19Å; Y238-Y245 AromaticContact CD2-CZ 3.47Å; Y238-Y245 VanDerWaalsContact CD2-CZ 3.47Å; Y238-Y245 HydrophobicContact CE2-CE2 4.11Å; Y238-Y245 HydrophobicContact CG-CD1 4.37Å; Y238-Y245 AromaticContact CG-CE1 3.91Å; Y238-Y245 HydrophobicContact CG-CE1 3.91Å
239	D	94.6	Very high	94.5	Very high	38 Å²	38	80 Å²	80	20%	0.203	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.5	168	-178.7	-3.1	0	0	0	110	L241 R242 N243 E244	D239-L241 PolarHBondContact O-N 3.41Å; D239-L241 WeakPolarHBondContact OD1-CB 3.37Å; D239-L241 PolarHBondContact OD1-N 2.67Å; D239-R242 HydrophobicContact CB-CB 4.47Å; D239-R242 PolarHBondContact O-N 2.82Å; D239-R242 PolarHBondContact OD1-N 3.29Å; D239-R242 VanDerWaalsContact OD2-CD 3.29Å; D239-R242 WeakPolarHBondContact OD2-CD 3.37Å; D239-R242 WeakPolarHBondContact OD2-CG 3.26Å; D239-R242 IonicContact OD2-NE 3.17Å; D239-N243 WeakPolarHBondContact O-CA 3.34Å; D239-N243 PolarHBondContact O-N 3.06Å; D239-E244 PolarHBondContact N-O 3.26Å; D239-E244 PolarHBondContact O-N 3.44Å
240	S	92.9	Very high	94.6	Very high	93 Å²	93	82.2 Å²	82.2	65%	0.65	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.2	179.3	61.6	0	0	0	0	114.4
241	L	93.8	Very high	94.7	Very high	161 Å²	161	85.4 Å²	85.4	84%	0.843	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.6	177.5	-62.5	174.9	0	0	0	112	D239	D239-L241 PolarHBondContact O-N 3.41Å; D239-L241 WeakPolarHBondContact OD1-CB 3.37Å; D239-L241 PolarHBondContact OD1-N 2.67Å
242	R	92.2	Very high	94.9	Very high	153 Å²	153	84.6 Å²	84.6	58%	0.577	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-10.2	-177.1	-67.3	-176	-176.1	157.2	5.2	114.3	D239 E244	D239-R242 HydrophobicContact CB-CB 4.47Å; D239-R242 PolarHBondContact O-N 2.82Å; D239-R242 PolarHBondContact OD1-N 3.29Å; D239-R242 VanDerWaalsContact OD2-CD 3.29Å; D239-R242 WeakPolarHBondContact OD2-CD 3.37Å; D239-R242 WeakPolarHBondContact OD2-CG 3.26Å; D239-R242 IonicContact OD2-NE 3.17Å; R242-E244 HydrophobicContact CB-CG 3.73Å; R242-E244 WeakPolarHBondContact CD-OE1 3.35Å; R242-E244 IonicContact NH1-OE1 3.96Å; R242-E244 PolarHBondContact O-N 2.89Å
243	N	92.4	Very high	95.1	Very high	105 Å²	105	76.2 Å²	76.2	56%	0.561	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	41.5	-175.5	-175.3	60.1	0	0	0	111.5	Y238 D239	Y238-N243 PolarHBondContact OH-OD1 3.12Å; D239-N243 WeakPolarHBondContact O-CA 3.34Å; D239-N243 PolarHBondContact O-N 3.06Å
244	E	95.3	Very high	95.3	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.019	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.5	178.8	72.6	-170.4	-174.5	0	0	110.3	V205 N207 R212 D239 R242	V205-E244 HydrophobicContact CB-CB 3.85Å; V205-E244 HydrophobicContact CG1-CB 3.79Å; V205-E244 WeakPolarHBondContact O-CA 3.48Å; N207-E244 HydrophobicContact CB-CG 4.11Å; N207-E244 PolarHBondContact ND2-OE1 3.43Å; R212-E244 IonicContact CZ-OE2 3.17Å; R212-E244 VanDerWaalsContact CZ-OE2 3.3Å; R212-E244 IonicContact NE-OE2 3.82Å; R212-E244 PolarHBondContact NE-OE2 3.07Å; R212-E244 IonicContact NH2-OE1 2.76Å; R212-E244 PolarHBondContact NH2-OE1 2.82Å; R212-E244 IonicContact NH2-OE2 2.7Å; R212-E244 PolarHBondContact NH2-OE2 2.81Å; D239-E244 PolarHBondContact N-O 3.26Å; D239-E244 PolarHBondContact O-N 3.44Å; R242-E244 HydrophobicContact CB-CG 3.73Å; R242-E244 WeakPolarHBondContact CD-OE1 3.35Å; R242-E244 IonicContact NH1-OE1 3.96Å; R242-E244 PolarHBondContact O-N 2.89Å
245	Y	96.5	Very high	95.3	Very high	34 Å²	34	78.5 Å²	78.5	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.4	171.9	-65.9	-96	0	0	0	109.5	I204 V205 L206 N207 L234 Y237 Y238	I204-Y245 HydrophobicContact CD1-CD2 3.53Å; I204-Y245 HydrophobicContact CD1-CE2 3.34Å; I204-Y245 HydrophobicContact CG1-CD2 3.67Å; I204-Y245 HydrophobicContact CG1-CE2 3.7Å; V205-Y245 PolarHBondContact O-N 2.87Å; L206-Y245 CarbonylContact C-O 3.6Å; L206-Y245 HydrophobicContact CD2-CD2 4.19Å; L206-Y245 HydrophobicContact CD2-CG 4.32Å; N207-Y245 PolarHBondContact N-O 2.83Å; L234-Y245 HydrophobicContact CD1-CD1 3.6Å; L234-Y245 HydrophobicContact CD1-CE1 4.08Å; L234-Y245 HydrophobicContact CD1-CG 3.9Å; L234-Y245 HydrophobicContact CD2-CD1 4.48Å; L234-Y245 HydrophobicContact CD2-CE1 4.22Å; L234-Y245 HydrophobicContact CG-CD1 3.64Å; L234-Y245 HydrophobicContact CG-CE1 3.56Å; L234-Y245 HydrophobicContact CG-CG 4.22Å; L234-Y245 VanDerWaalsContact O-CD1 3.3Å; L234-Y245 WeakPolarHBondContact O-CD1 3.28Å; L234-Y245 WeakPolarHBondContact O-CE1 3.26Å; Y237-Y245 CarbonylContact O-C 3.45Å; Y237-Y245 VanDerWaalsContact O-CA 3.27Å; Y237-Y245 WeakPolarHBondContact O-CA 3.11Å; Y238-Y245 AromaticContact CD2-CD1 3.99Å; Y238-Y245 HydrophobicContact CD2-CD1 3.99Å; Y238-Y245 HydrophobicContact CD2-CD2 4.02Å; Y238-Y245 AromaticContact CD2-CE1 3.63Å; Y238-Y245 HydrophobicContact CD2-CE1 3.63Å; Y238-Y245 AromaticContact CD2-CE2 3.67Å; Y238-Y245 HydrophobicContact CD2-CE2 3.67Å; Y238-Y245 HydrophobicContact CD2-CG 4.19Å; Y238-Y245 AromaticContact CD2-CZ 3.47Å; Y238-Y245 VanDerWaalsContact CD2-CZ 3.47Å; Y238-Y245 HydrophobicContact CE2-CE2 4.11Å; Y238-Y245 HydrophobicContact CG-CD1 4.37Å; Y238-Y245 AromaticContact CG-CE1 3.91Å; Y238-Y245 HydrophobicContact CG-CE1 3.91Å
246	F	97.2	Very high	95.5	Very high	82 Å²	82	74 Å²	74	36%	0.36	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.2	-174.3	-179	-104.4	0	0	0	112.4	N207 Y237 D248	N207-F246 HydrophobicContact CB-CD2 4.21Å; N207-F246 WeakPolarHBondContact O-CA 3.5Å; Y237-F246 PolarHBondContact O-N 3.48Å; F246-D248 HydrophobicContact CE1-CB 3.96Å; F246-D248 HydrophobicContact CZ-CB 4.12Å
247	F	97.5	Very high	95.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.5	175.4	-62.3	-90.2	0	0	0	109.4	N207 I208 S209 L227 L228 L234 Y237 R249 F284 Y285	N207-F247 PolarHBondContact O-N 2.82Å; I208-F247 CarbonylContact C-O 3.5Å; I208-F247 WeakPolarHBondContact CA-O 3.36Å; I208-F247 HydrophobicContact CD1-CB 3.8Å; I208-F247 HydrophobicContact CD1-CD2 3.7Å; I208-F247 HydrophobicContact CD1-CG 4.05Å; S209-F247 PolarHBondContact N-O 2.91Å; L227-F247 HydrophobicContact CD2-CE1 3.64Å; L227-F247 HydrophobicContact CD2-CZ 3.89Å; L228-F247 HydrophobicContact CD2-CE1 4.3Å; L228-F247 HydrophobicContact CD2-CE2 3.97Å; L228-F247 HydrophobicContact CD2-CZ 3.54Å; L234-F247 HydrophobicContact CD1-CE2 4.31Å; L234-F247 HydrophobicContact CD1-CZ 3.82Å; Y237-F247 AromaticContact CD1-CD1 3.7Å; Y237-F247 HydrophobicContact CD1-CD1 3.7Å; Y237-F247 AromaticContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CG 4.49Å; Y237-F247 HydrophobicContact CD1-CZ 4.42Å; Y237-F247 AromaticContact CD2-CE1 3.65Å; Y237-F247 HydrophobicContact CD2-CE1 3.65Å; Y237-F247 HydrophobicContact CD2-CZ 4.06Å; Y237-F247 HydrophobicContact CE1-CD1 4.02Å; Y237-F247 HydrophobicContact CE1-CE1 4.05Å; Y237-F247 HydrophobicContact CE2-CE1 4.04Å; Y237-F247 AromaticContact CG-CD1 3.98Å; Y237-F247 HydrophobicContact CG-CD1 3.98Å; Y237-F247 AromaticContact CG-CE1 3.45Å; Y237-F247 HydrophobicContact CG-CE1 3.45Å; Y237-F247 VanDerWaalsContact CG-CE1 3.45Å; Y237-F247 AromaticContact CG-CZ 3.85Å; Y237-F247 HydrophobicContact CG-CZ 3.85Å; F247-R249 HydrophobicContact CB-CG 4.47Å; F247-R249 PolarHBondContact O-N 3.03Å; F247-F284 AromaticContact CD1-CE1 3.83Å; F247-F284 HydrophobicContact CD1-CE1 3.83Å; F247-F284 HydrophobicContact CD1-CZ 4.03Å; F247-F284 HydrophobicContact CE1-CE1 4.14Å; F247-F284 HydrophobicContact CE1-CZ 4.32Å; F247-Y285 HydrophobicContact CD1-CE1 4.12Å; F247-Y285 HydrophobicContact CE1-CE1 4.23Å; F247-Y285 HydrophobicContact CG-CE1 4.49Å
248	D	96.8	Very high	95.7	Very high	127 Å²	127	61 Å²	61	68%	0.679	30%	0.3	S	S	*	.			trans	-88.6	82.3	173.7	-162.1	23.7	0	0	0	110.3	S209 F246	S209-D248 VanDerWaalsContact OG-CA 3.3Å; S209-D248 WeakPolarHBondContact OG-CA 3.43Å; S209-D248 PolarHBondContact OG-OD1 2.98Å; F246-D248 HydrophobicContact CE1-CB 3.96Å; F246-D248 HydrophobicContact CZ-CB 4.12Å
249	R	96.8	Very high	95.8	Very high	66 Å²	66	61.8 Å²	61.8	25%	0.249	30%	0.303	C	S	.	.	S	Bend	trans	-149.5	176.7	-165.9	-70.6	-153.6	69.9	98	10	113.6	I208 S209 F247 R251 E281 F284	I208-R249 HydrophobicContact CG2-CB 4.46Å; S209-R249 PolarHBondContact OG-N 3.3Å; S209-R249 PolarHBondContact OG-O 2.87Å; F247-R249 HydrophobicContact CB-CG 4.47Å; F247-R249 PolarHBondContact O-N 3.03Å; R249-R251 PolarHBondContact O-N 3.18Å; R249-E281 IonicContact CZ-OE1 3.74Å; R249-E281 IonicContact CZ-OE2 2.73Å; R249-E281 IonicContact NE-OE1 2.66Å; R249-E281 PolarHBondContact NE-OE1 2.93Å; R249-E281 IonicContact NE-OE2 3.54Å; R249-E281 PolarHBondContact NE-OE2 3.35Å; R249-E281 VanDerWaalsContact NH2-CD 3.33Å; R249-E281 IonicContact NH2-OE1 3.89Å; R249-E281 PolarHBondContact NH2-OE1 3.27Å; R249-E281 IonicContact NH2-OE2 3.28Å; R249-F284 HydrophobicContact CG-CE1 4.43Å; R249-F284 VanDerWaalsContact CZ-CB 3.49Å
250	N	95.8	Very high	95.9	Very high	49 Å²	49	60.1 Å²	60.1	26%	0.262	29%	0.294	S	S	.	.			trans	-64.4	102.6	-173.6	-171.7	-87.7	0	0	0	113.2	P252 S253 V277 E281	N250-P252 VanDerWaalsContact OD1-CD 3.27Å; N250-P252 WeakPolarHBondContact OD1-CD 3.17Å; N250-P252 VanDerWaalsContact OD1-CG 3.3Å; N250-P252 WeakPolarHBondContact OD1-CG 3.3Å; N250-S253 PolarHBondContact O-N 3.36Å; N250-S253 WeakPolarHBondContact OD1-CB 3.43Å; N250-S253 PolarHBondContact OD1-N 3.35Å; N250-S253 PolarHBondContact OD1-OG 3.16Å; N250-V277 HydrophobicContact CB-CG1 4.17Å; N250-E281 HydrophobicContact CB-CG 3.91Å; N250-E281 WeakPolarHBondContact CB-OE1 3.41Å; N250-E281 PolarHBondContact N-OE1 2.89Å
251	R	96.3	Very high	96.1	Very high	108 Å²	108	55.7 Å²	55.7	41%	0.408	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-53.4	180	-70	172.5	64.3	134	-2.3	115.1	I208 S209 L211 R249 S253 F254	I208-R251 HydrophobicContact CG2-CG 4.39Å; I208-R251 VanDerWaalsContact O-CG 3.3Å; I208-R251 WeakPolarHBondContact O-CG 3.28Å; S209-R251 PolarHBondContact O-NH1 3.29Å; L211-R251 HydrophobicContact CB-CG 4.35Å; L211-R251 HydrophobicContact CD2-CB 4.42Å; R249-R251 PolarHBondContact O-N 3.18Å; R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.42Å; R251-F254 PolarHBondContact O-N 2.94Å
252	P	96.1	Very high	96.2	Very high	53 Å²	53	52.2 Å²	52.2	34%	0.344	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-25.8	-176	26	-33	0	0	0	113.7	N250 F254 P270 V273	N250-P252 VanDerWaalsContact OD1-CD 3.27Å; N250-P252 WeakPolarHBondContact OD1-CD 3.17Å; N250-P252 VanDerWaalsContact OD1-CG 3.3Å; N250-P252 WeakPolarHBondContact OD1-CG 3.3Å; P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 3.05Å; P252-P270 WeakPolarHBondContact O-CG 3.48Å; P252-V273 HydrophobicContact CB-CG2 3.72Å; P252-V273 HydrophobicContact CG-CG2 3.87Å
253	S	96.8	Very high	96.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-33.7	175.4	-64.9	0	0	0	0	113.1	N250 R251 D255 A256 I257 V273	N250-S253 PolarHBondContact O-N 3.36Å; N250-S253 WeakPolarHBondContact OD1-CB 3.43Å; N250-S253 PolarHBondContact OD1-N 3.35Å; N250-S253 PolarHBondContact OD1-OG 3.16Å; R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.42Å; S253-D255 VanDerWaalsContact C-N 3.27Å; S253-D255 PolarHBondContact O-N 3.28Å; S253-A256 PolarHBondContact O-N 3.49Å; S253-I257 PolarHBondContact O-N 3.34Å; S253-V273 VanDerWaalsContact OG-CG1 3.28Å; S253-V273 WeakPolarHBondContact OG-CG1 3.34Å
254	F	97.5	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-25.7	-169.6	-166	-98.3	0	0	0	114.2	L206 I208 F213 L228 R251 P252 A256 I257 L258 Y285	L206-F254 HydrophobicContact CB-CE1 4.21Å; L206-F254 HydrophobicContact CB-CZ 4.16Å; L206-F254 HydrophobicContact CD1-CE1 4.11Å; L206-F254 HydrophobicContact CD1-CZ 3.73Å; I208-F254 HydrophobicContact CD1-CD1 3.98Å; I208-F254 HydrophobicContact CD1-CD2 3.58Å; I208-F254 HydrophobicContact CD1-CE1 3.97Å; I208-F254 HydrophobicContact CD1-CE2 3.58Å; I208-F254 HydrophobicContact CD1-CG 3.77Å; I208-F254 HydrophobicContact CD1-CZ 3.78Å; I208-F254 HydrophobicContact CG1-CB 3.93Å; I208-F254 HydrophobicContact CG1-CD1 3.6Å; I208-F254 HydrophobicContact CG1-CD2 3.88Å; I208-F254 HydrophobicContact CG1-CE1 4Å; I208-F254 HydrophobicContact CG1-CE2 4.26Å; I208-F254 HydrophobicContact CG1-CG 3.51Å; I208-F254 HydrophobicContact CG1-CZ 4.32Å; I208-F254 HydrophobicContact CG2-CB 4.24Å; F213-F254 HydrophobicContact CB-CD1 4.42Å; F213-F254 HydrophobicContact CB-CE1 4.1Å; F213-F254 HydrophobicContact CD1-CD1 4.02Å; F213-F254 HydrophobicContact CD1-CE1 4.44Å; F213-F254 AromaticContact CD2-CD1 3.49Å; F213-F254 HydrophobicContact CD2-CD1 3.49Å; F213-F254 VanDerWaalsContact CD2-CD1 3.49Å; F213-F254 AromaticContact CD2-CE1 3.93Å; F213-F254 HydrophobicContact CD2-CE1 3.93Å; F213-F254 HydrophobicContact CD2-CG 4.48Å; F213-F254 HydrophobicContact CE1-CD1 4.08Å; F213-F254 HydrophobicContact CE2-CB 4.1Å; F213-F254 AromaticContact CE2-CD1 3.55Å; F213-F254 HydrophobicContact CE2-CD1 3.55Å; F213-F254 HydrophobicContact CE2-CE1 4.43Å; F213-F254 HydrophobicContact CE2-CG 4.21Å; F213-F254 AromaticContact CG-CD1 3.73Å; F213-F254 HydrophobicContact CG-CD1 3.73Å; F213-F254 AromaticContact CG-CE1 3.92Å; F213-F254 HydrophobicContact CG-CE1 3.92Å; F213-F254 HydrophobicContact CZ-CB 4.12Å; F213-F254 AromaticContact CZ-CD1 3.85Å; F213-F254 HydrophobicContact CZ-CD1 3.85Å; F213-F254 HydrophobicContact CZ-CG 4.47Å; L228-F254 HydrophobicContact CD1-CE2 3.88Å; L228-F254 HydrophobicContact CD1-CZ 3.86Å; R251-F254 PolarHBondContact O-N 2.94Å; P252-F254 VanDerWaalsContact C-N 3.31Å; P252-F254 PolarHBondContact O-N 3.05Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 3.18Å; F254-I257 HydrophobicContact CD2-CB 4.23Å; F254-I257 HydrophobicContact CD2-CG2 4.26Å; F254-I257 HydrophobicContact CE2-CG2 4.18Å; F254-I257 PolarHBondContact O-N 3.4Å; F254-L258 HydrophobicContact CD1-CB 4.25Å; F254-L258 HydrophobicContact CE1-CB 4Å; F254-L258 HydrophobicContact CE1-CD2 4.38Å; F254-L258 WeakPolarHBondContact O-CB 3.47Å; F254-L258 PolarHBondContact O-N 3.24Å; F254-Y285 HydrophobicContact CD2-CE1 4.04Å; F254-Y285 AromaticContact CD2-CE2 3.9Å; F254-Y285 HydrophobicContact CD2-CE2 3.9Å; F254-Y285 AromaticContact CD2-CZ 3.53Å; F254-Y285 WeakPolarHBondContact CD2-OH 3.4Å; F254-Y285 HydrophobicContact CE2-CD1 4.35Å; F254-Y285 AromaticContact CE2-CE1 3.68Å; F254-Y285 HydrophobicContact CE2-CE1 3.68Å; F254-Y285 HydrophobicContact CE2-CE2 4.31Å; F254-Y285 AromaticContact CE2-CZ 3.69Å
255	D	95.8	Very high	96.3	Very high	101 Å²	101	44.5 Å²	44.5	54%	0.54	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-46.6	176	-170.2	26.1	0	0	0	111.1	F213 S253 L258 Y259	F213-D255 HydrophobicContact CE1-CB 4.33Å; S253-D255 VanDerWaalsContact C-N 3.27Å; S253-D255 PolarHBondContact O-N 3.28Å; D255-L258 PolarHBondContact O-N 3.39Å; D255-Y259 VanDerWaalsContact O-CB 3.28Å; D255-Y259 WeakPolarHBondContact O-CB 3.05Å; D255-Y259 PolarHBondContact O-N 3.46Å
256	A	96.5	Very high	96.2	Very high	10 Å²	10	50.7 Å²	50.7	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-69.4	-36.1	175.2	0	0	0	0	0	113.7	S253 F254 Y259 Y260 R268 P270 F278	S253-A256 PolarHBondContact O-N 3.49Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 3.18Å; A256-Y259 PolarHBondContact O-N 2.96Å; A256-Y260 PolarHBondContact O-N 3.23Å; A256-R268 WeakPolarHBondContact CB-O 3.39Å; A256-P270 HydrophobicContact CB-CG 3.89Å; A256-F278 HydrophobicContact CB-CE2 3.7Å; A256-F278 HydrophobicContact CB-CZ 3.59Å
257	I	97.4	Very high	96.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-45.1	174.7	-62.4	-64.1	0	0	0	110.2	L228 S253 F254 Y260 Y261 L267 F278 I282 Y285 I287	L228-I257 HydrophobicContact CD1-CG2 4.27Å; S253-I257 PolarHBondContact O-N 3.34Å; F254-I257 HydrophobicContact CD2-CB 4.23Å; F254-I257 HydrophobicContact CD2-CG2 4.26Å; F254-I257 HydrophobicContact CE2-CG2 4.18Å; F254-I257 PolarHBondContact O-N 3.4Å; I257-Y260 WeakPolarHBondContact O-CB 3.49Å; I257-Y260 PolarHBondContact O-N 3.25Å; I257-Y261 HydrophobicContact CG2-CE2 4.18Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 WeakPolarHBondContact O-CE2 3.3Å; I257-L267 HydrophobicContact CD1-CD1 4.37Å; I257-F278 HydrophobicContact CD1-CE2 4.22Å; I257-F278 HydrophobicContact CD1-CZ 4.43Å; I257-F278 HydrophobicContact CG1-CE2 4.36Å; I257-I282 HydrophobicContact CD1-CG1 4.05Å; I257-Y285 HydrophobicContact CB-CD2 4.23Å; I257-Y285 HydrophobicContact CD1-CD2 3.96Å; I257-Y285 HydrophobicContact CG1-CD2 3.73Å; I257-Y285 HydrophobicContact CG1-CE2 4.05Å; I257-Y285 HydrophobicContact CG2-CD1 4.4Å; I257-Y285 HydrophobicContact CG2-CD2 3.63Å; I257-Y285 HydrophobicContact CG2-CE2 4.21Å; I257-Y285 HydrophobicContact CG2-CG 3.77Å; I257-I287 HydrophobicContact CD1-CG1 4.44Å
258	L	97.1	Very high	95.9	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-40.3	177.7	-175.8	60.8	0	0	0	111.7	L206 F213 T215 F254 D255 Y260 Y261 Q262	L206-L258 HydrophobicContact CD1-CD1 4.4Å; F213-L258 HydrophobicContact CB-CD2 3.82Å; F213-L258 HydrophobicContact CD1-CD2 3.77Å; F213-L258 HydrophobicContact CG-CD2 4.16Å; T215-L258 HydrophobicContact CG2-CD1 3.91Å; F254-L258 HydrophobicContact CD1-CB 4.25Å; F254-L258 HydrophobicContact CE1-CB 4Å; F254-L258 HydrophobicContact CE1-CD2 4.38Å; F254-L258 WeakPolarHBondContact O-CB 3.47Å; F254-L258 PolarHBondContact O-N 3.24Å; D255-L258 PolarHBondContact O-N 3.39Å; L258-Y260 PolarHBondContact O-N 3.21Å; L258-Y261 PolarHBondContact O-N 2.82Å; L258-Y261 VanDerWaalsContact O-N 3.12Å; L258-Q262 HydrophobicContact CG-CG 4.44Å; L258-Q262 WeakPolarHBondContact O-CG 3.2Å; L258-Q262 PolarHBondContact O-N 3.13Å; L258-Q262 VanDerWaalsContact O-N 3.09Å
259	Y	96.5	Very high	95.8	Very high	107 Å²	107	48.1 Å²	48.1	42%	0.42	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-32.5	176.3	-174.9	-102	0	0	0	112.5	D255 A256 Y261 Q262 S263 R266	D255-Y259 VanDerWaalsContact O-CB 3.28Å; D255-Y259 WeakPolarHBondContact O-CB 3.05Å; D255-Y259 PolarHBondContact O-N 3.46Å; A256-Y259 PolarHBondContact O-N 2.96Å; Y259-Y261 PolarHBondContact O-N 2.64Å; Y259-Q262 PolarHBondContact O-N 3.38Å; Y259-S263 WeakPolarHBondContact O-CB 3.09Å; Y259-S263 PolarHBondContact O-N 3.48Å; Y259-S263 PolarHBondContact O-OG 3.45Å; Y259-R266 HydrophobicContact CE1-CB 4.02Å
260	Y	97	Very high	95.8	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-45.5	173	163.2	-92.1	0	0	0	112.2	F223 A256 I257 L258 S263 G264 G265 R266 L267 I287 D288 A291	F223-Y260 HydrophobicContact CB-CE1 4.34Å; F223-Y260 HydrophobicContact CD1-CE1 4.12Å; F223-Y260 AromaticContact CD1-CZ 3.91Å; F223-Y260 VanDerWaalsContact CD1-OH 3.28Å; F223-Y260 WeakPolarHBondContact CD1-OH 3.45Å; F223-Y260 HydrophobicContact CD2-CD1 4.24Å; F223-Y260 AromaticContact CD2-CE1 3.63Å; F223-Y260 HydrophobicContact CD2-CE1 3.63Å; F223-Y260 HydrophobicContact CE1-CE1 4.36Å; F223-Y260 AromaticContact CE1-CZ 3.88Å; F223-Y260 WeakPolarHBondContact CE1-OH 3.3Å; F223-Y260 HydrophobicContact CE2-CD1 4.33Å; F223-Y260 AromaticContact CE2-CE1 3.88Å; F223-Y260 HydrophobicContact CE2-CE1 3.88Å; F223-Y260 AromaticContact CG-CE1 3.76Å; F223-Y260 HydrophobicContact CG-CE1 3.76Å; F223-Y260 HydrophobicContact CZ-CE1 4.25Å; F223-Y260 HydrophobicContact CZ-CE2 4.4Å; F223-Y260 AromaticContact CZ-CZ 3.97Å; A256-Y260 PolarHBondContact O-N 3.23Å; I257-Y260 WeakPolarHBondContact O-CB 3.49Å; I257-Y260 PolarHBondContact O-N 3.25Å; L258-Y260 PolarHBondContact O-N 3.21Å; Y260-S263 PolarHBondContact O-OG 2.96Å; Y260-G264 PolarHBondContact O-N 3.36Å; Y260-G264 VanDerWaalsContact O-N 3.16Å; Y260-G265 PolarHBondContact O-N 3.34Å; Y260-R266 WeakPolarHBondContact CA-O 3.37Å; Y260-L267 HydrophobicContact CD2-CB 4.04Å; Y260-I287 HydrophobicContact CD1-CD1 3.97Å; Y260-I287 HydrophobicContact CD2-CG2 4.44Å; Y260-I287 HydrophobicContact CE1-CD1 3.97Å; Y260-I287 HydrophobicContact CE1-CG2 4.03Å; Y260-I287 HydrophobicContact CE2-CG2 3.93Å; Y260-D288 PolarHBondContact OH-OD2 3.09Å; Y260-A291 HydrophobicContact CD2-CB 4.49Å; Y260-A291 HydrophobicContact CE2-CB 3.59Å
261	Y	96.8	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69	-43.1	175.5	-60.2	-95.6	0	0	0	112.2	L220 K222 F223 T226 L228 I257 L258 Y259 G264 I287	L220-Y261 HydrophobicContact CD2-CD1 3.95Å; L220-Y261 HydrophobicContact CD2-CD2 4.26Å; L220-Y261 HydrophobicContact CD2-CE1 4.34Å; L220-Y261 HydrophobicContact CD2-CG 3.93Å; K222-Y261 WeakPolarHBondContact CD-O 3.43Å; K222-Y261 PolarHBondContact NZ-O 2.8Å; F223-Y261 HydrophobicContact CB-CD1 4.22Å; F223-Y261 HydrophobicContact CB-CE1 3.97Å; F223-Y261 AromaticContact CD2-CD1 3.8Å; F223-Y261 HydrophobicContact CD2-CD1 3.8Å; F223-Y261 HydrophobicContact CD2-CE1 4.3Å; F223-Y261 HydrophobicContact CD2-CG 4.4Å; F223-Y261 HydrophobicContact CG-CD1 4.48Å; T226-Y261 VanDerWaalsContact CB-OH 3.26Å; T226-Y261 WeakPolarHBondContact CB-OH 3.46Å; T226-Y261 HydrophobicContact CG2-CE1 4.47Å; T226-Y261 WeakPolarHBondContact OG1-CE1 3.27Å; T226-Y261 PolarHBondContact OG1-OH 2.75Å; L228-Y261 HydrophobicContact CB-CE1 4.26Å; L228-Y261 HydrophobicContact CB-CE2 4.43Å; L228-Y261 HydrophobicContact CD1-CE2 3.82Å; I257-Y261 HydrophobicContact CG2-CE2 4.18Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 WeakPolarHBondContact O-CE2 3.3Å; L258-Y261 PolarHBondContact O-N 2.82Å; L258-Y261 VanDerWaalsContact O-N 3.12Å; Y259-Y261 PolarHBondContact O-N 2.64Å; Y261-G264 PolarHBondContact O-N 3.44Å; Y261-I287 HydrophobicContact CE2-CD1 4.22Å
262	Q	96.1	Very high	95.5	Very high	88 Å²	88	49.6 Å²	49.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-50.1	-179.5	-68.6	174.1	-11	0	0	111.3	T219 K222 L258 Y259 G264	T219-Q262 HydrophobicContact CG2-CG 4.03Å; K222-Q262 PolarHBondContact NZ-O 2.84Å; L258-Q262 HydrophobicContact CG-CG 4.44Å; L258-Q262 WeakPolarHBondContact O-CG 3.2Å; L258-Q262 PolarHBondContact O-N 3.13Å; L258-Q262 VanDerWaalsContact O-N 3.09Å; Y259-Q262 PolarHBondContact O-N 3.38Å; Q262-G264 VanDerWaalsContact C-N 3.29Å; Q262-G264 PolarHBondContact O-N 2.79Å
263	S	95.2	Very high	95.4	Very high	38 Å²	38	47.2 Å²	47.2	27%	0.266	24%	0.243	S	C	.	.	H	α-helix	trans	-73.2	-13.1	-179.3	66.5	0	0	0	0	115.1	Y259 Y260 R266	Y259-S263 WeakPolarHBondContact O-CB 3.09Å; Y259-S263 PolarHBondContact O-N 3.48Å; Y259-S263 PolarHBondContact O-OG 3.45Å; Y260-S263 PolarHBondContact O-OG 2.96Å; S263-R266 VanDerWaalsContact OG-CB 3.3Å; S263-R266 WeakPolarHBondContact OG-CB 3.04Å; S263-R266 PolarHBondContact OG-N 3.16Å
264	G	93.8	Very high	95.1	Very high	46 Å²	46	50.7 Å²	50.7	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	41.4	-176	0	0	0	0	0	113.3	Y260 Y261 Q262	Y260-G264 PolarHBondContact O-N 3.36Å; Y260-G264 VanDerWaalsContact O-N 3.16Å; Y261-G264 PolarHBondContact O-N 3.44Å; Q262-G264 VanDerWaalsContact C-N 3.29Å; Q262-G264 PolarHBondContact O-N 2.79Å
265	G	93.2	Very high	94.7	Very high	16 Å²	16	54.1 Å²	54.1	17%	0.165	28%	0.283	C	S	.	.	S	Bend	trans	114.3	19.7	169.7	0	0	0	0	0	116.2	Y260	Y260-G265 PolarHBondContact O-N 3.34Å
266	R	93.7	Very high	94.4	Very high	163 Å²	163	54.3 Å²	54.3	62%	0.615	28%	0.284	S	S	*	.			trans	-96.3	102.6	172.2	-54.5	-177.5	179.8	-175	-2.3	110.1	Y259 Y260 S263	Y259-R266 HydrophobicContact CE1-CB 4.02Å; Y260-R266 WeakPolarHBondContact CA-O 3.37Å; S263-R266 VanDerWaalsContact OG-CB 3.3Å; S263-R266 WeakPolarHBondContact OG-CB 3.04Å; S263-R266 PolarHBondContact OG-N 3.16Å
267	L	95.1	Very high	94.2	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.052	29%	0.291	C	S	.	.			trans	-99.1	127.1	173.8	-173.1	62	0	0	0	109.7	I257 Y260 F278 I282 I287 Y295	I257-L267 HydrophobicContact CD1-CD1 4.37Å; Y260-L267 HydrophobicContact CD2-CB 4.04Å; L267-F278 HydrophobicContact CD1-CE1 4.14Å; L267-F278 HydrophobicContact CD1-CZ 3.77Å; L267-F278 HydrophobicContact CG-CE1 4.36Å; L267-F278 HydrophobicContact CG-CZ 4.46Å; L267-I282 HydrophobicContact CD1-CG1 4.33Å; L267-I282 HydrophobicContact CD2-CD1 3.87Å; L267-I282 HydrophobicContact CD2-CG1 3.98Å; L267-I282 HydrophobicContact CD2-CG2 4.09Å; L267-I282 HydrophobicContact CG-CD1 4.42Å; L267-I287 HydrophobicContact CD2-CG2 4.25Å; L267-Y295 HydrophobicContact CD2-CG 4.18Å; L267-Y295 HydrophobicContact CG-CD2 4.49Å
268	R	94	Very high	94.1	Very high	111 Å²	111	55.6 Å²	55.6	42%	0.419	29%	0.291	S	S	.	.			trans	-147.8	134.1	175.9	-72.5	-59.8	176.3	77.4	0.9	110.5	A256 D298	A256-R268 WeakPolarHBondContact CB-O 3.39Å; R268-D298 IonicContact CZ-OD1 3.65Å; R268-D298 IonicContact CZ-OD2 2.71Å; R268-D298 IonicContact NE-OD2 3.21Å; R268-D298 PolarHBondContact NE-OD2 2.86Å; R268-D298 VanDerWaalsContact NH2-CG 3.25Å; R268-D298 IonicContact NH2-OD1 3.42Å; R268-D298 PolarHBondContact NH2-OD1 2.73Å; R268-D298 IonicContact NH2-OD2 3.51Å; R268-D298 PolarHBondContact NH2-OD2 3.01Å
269	R	95.1	Very high	93.9	Very high	37 Å²	37	56.7 Å²	56.7	14%	0.14	30%	0.298	C	S	.	.			trans	-68.8	135.6	178.2	-174.8	172.1	57.1	77.1	6.1	111.1	V273 F278 Y295 E299	R269-V273 WeakPolarHBondContact CD-O 3.3Å; R269-V273 HydrophobicContact CG-CB 4.42Å; R269-V273 PolarHBondContact NH1-O 2.78Å; R269-F278 VanDerWaalsContact CA-CE1 3.43Å; R269-F278 HydrophobicContact CB-CD1 3.45Å; R269-F278 VanDerWaalsContact CB-CD1 3.45Å; R269-F278 HydrophobicContact CB-CE1 3.78Å; R269-F278 HydrophobicContact CB-CG 4.05Å; R269-F278 HydrophobicContact CG-CB 3.73Å; R269-F278 HydrophobicContact CG-CD1 3.62Å; R269-F278 HydrophobicContact CG-CD2 4.48Å; R269-F278 HydrophobicContact CG-CE1 4.35Å; R269-F278 HydrophobicContact CG-CG 3.69Å; R269-Y295 HydrophobicContact CB-CE2 4.06Å; R269-E299 WeakPolarHBondContact CB-OE1 3.48Å; R269-E299 IonicContact CZ-OE2 2.77Å; R269-E299 VanDerWaalsContact CZ-OE2 3.23Å; R269-E299 IonicContact NE-OE1 3.93Å; R269-E299 IonicContact NE-OE2 2.84Å; R269-E299 PolarHBondContact NE-OE2 2.8Å; R269-E299 IonicContact NH2-OE2 2.83Å; R269-E299 PolarHBondContact NH2-OE2 2.92Å
270	P	95.5	Very high	93.8	Very high	23 Å²	23	57.5 Å²	57.5	15%	0.149	31%	0.306	C	S	.	.			trans	-64	134.7	167.9	-18.3	31.3	0	0	0	110.3	P252 A256 N272 V273	P252-P270 WeakPolarHBondContact O-CG 3.48Å; A256-P270 HydrophobicContact CB-CG 3.89Å; P270-N272 VanDerWaalsContact CB-OD1 3.27Å; P270-N272 WeakPolarHBondContact CB-OD1 3.3Å; P270-N272 PolarHBondContact O-N 3.05Å; P270-V273 HydrophobicContact CB-CB 4.38Å; P270-V273 HydrophobicContact CB-CG2 3.87Å; P270-V273 HydrophobicContact CG-CG2 4.01Å; P270-V273 PolarHBondContact O-N 3.46Å
271	V	92	Very high	93.8	Very high	116 Å²	116	57.7 Å²	57.7	70%	0.703	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.3	-173.4	-64.7	0	0	0	0	114.9	S28	S28-V271 PolarHBondContact OG-O 3.25Å
272	N	93.8	Very high	93.7	Very high	115 Å²	115	57.8 Å²	57.8	62%	0.615	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	6.3	177.7	64.4	-55.6	0	0	0	113.6	P270	P270-N272 VanDerWaalsContact CB-OD1 3.27Å; P270-N272 WeakPolarHBondContact CB-OD1 3.3Å; P270-N272 PolarHBondContact O-N 3.05Å
273	V	93.8	Very high	93.6	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	31%	0.309	C	S	.	.	S	Bend	trans	-113.7	126.7	177.5	178.9	0	0	0	0	109.1	P252 S253 R269 P270 V277 F278	P252-V273 HydrophobicContact CB-CG2 3.72Å; P252-V273 HydrophobicContact CG-CG2 3.87Å; S253-V273 VanDerWaalsContact OG-CG1 3.28Å; S253-V273 WeakPolarHBondContact OG-CG1 3.34Å; R269-V273 WeakPolarHBondContact CD-O 3.3Å; R269-V273 HydrophobicContact CG-CB 4.42Å; R269-V273 PolarHBondContact NH1-O 2.78Å; P270-V273 HydrophobicContact CB-CB 4.38Å; P270-V273 HydrophobicContact CB-CG2 3.87Å; P270-V273 HydrophobicContact CG-CG2 4.01Å; P270-V273 PolarHBondContact O-N 3.46Å; V273-V277 HydrophobicContact CG1-CB 4.3Å; V273-V277 HydrophobicContact CG1-CG1 4.14Å; V273-F278 HydrophobicContact CG1-CB 3.84Å; V273-F278 HydrophobicContact CG1-CD2 4.46Å
274	P	92.3	Very high	93.7	Very high	73 Å²	73	58 Å²	58	47%	0.474	31%	0.306	S	S	.	.			trans	-56.6	150.8	173	-28.6	38	0	0	0	113.8	D276 V277 F278	P274-D276 WeakPolarHBondContact CB-OD1 3.42Å; P274-V277 HydrophobicContact CB-CB 4.26Å; P274-V277 HydrophobicContact CB-CG2 4.02Å; P274-V277 HydrophobicContact CG-CG2 4.28Å; P274-V277 PolarHBondContact O-N 3.1Å; P274-F278 PolarHBondContact O-N 2.86Å
275	I	88.6	Confident	93.8	Very high	72 Å²	72	55.9 Å²	55.9	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-41.9	-172.7	-62.3	168.1	0	0	0	111.7	T279 F301	I275-T279 WeakPolarHBondContact O-CB 3.47Å; I275-T279 PolarHBondContact O-N 3.04Å; I275-T279 PolarHBondContact O-OG1 2.92Å; I275-F301 HydrophobicContact CG2-CE2 3.6Å; I275-F301 HydrophobicContact CG2-CZ 3.41Å; I275-F301 VanDerWaalsContact CG2-CZ 3.41Å
276	D	88.2	Confident	93.9	Very high	104 Å²	104	59.2 Å²	59.2	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-60	-54.7	174.4	55.5	-24.4	0	0	0	111.3	P274 F278 T279 E280	P274-D276 WeakPolarHBondContact CB-OD1 3.42Å; D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.92Å; D276-T279 WeakPolarHBondContact O-CB 3.27Å; D276-T279 PolarHBondContact O-N 3.39Å; D276-E280 PolarHBondContact O-N 2.7Å
277	V	93.2	Very high	94	Very high	37 Å²	37	51.8 Å²	51.8	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-46.4	178.2	176.5	0	0	0	0	111.4	N250 V273 P274 T279 E280 E281	N250-V277 HydrophobicContact CB-CG1 4.17Å; V273-V277 HydrophobicContact CG1-CB 4.3Å; V273-V277 HydrophobicContact CG1-CG1 4.14Å; P274-V277 HydrophobicContact CB-CB 4.26Å; P274-V277 HydrophobicContact CB-CG2 4.02Å; P274-V277 HydrophobicContact CG-CG2 4.28Å; P274-V277 PolarHBondContact O-N 3.1Å; V277-T279 VanDerWaalsContact C-N 3.33Å; V277-T279 PolarHBondContact O-N 3.48Å; V277-E280 PolarHBondContact O-N 2.86Å; V277-E281 WeakPolarHBondContact O-CG 3.21Å; V277-E281 PolarHBondContact O-N 2.93Å; V277-E281 VanDerWaalsContact O-N 3.14Å
278	F	95.8	Very high	93.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-35.8	178.7	-167.5	-120.4	0	0	0	112.4	A256 I257 L267 R269 V273 P274 D276 E281 I282 Y295	A256-F278 HydrophobicContact CB-CE2 3.7Å; A256-F278 HydrophobicContact CB-CZ 3.59Å; I257-F278 HydrophobicContact CD1-CE2 4.22Å; I257-F278 HydrophobicContact CD1-CZ 4.43Å; I257-F278 HydrophobicContact CG1-CE2 4.36Å; L267-F278 HydrophobicContact CD1-CE1 4.14Å; L267-F278 HydrophobicContact CD1-CZ 3.77Å; L267-F278 HydrophobicContact CG-CE1 4.36Å; L267-F278 HydrophobicContact CG-CZ 4.46Å; R269-F278 VanDerWaalsContact CA-CE1 3.43Å; R269-F278 HydrophobicContact CB-CD1 3.45Å; R269-F278 VanDerWaalsContact CB-CD1 3.45Å; R269-F278 HydrophobicContact CB-CE1 3.78Å; R269-F278 HydrophobicContact CB-CG 4.05Å; R269-F278 HydrophobicContact CG-CB 3.73Å; R269-F278 HydrophobicContact CG-CD1 3.62Å; R269-F278 HydrophobicContact CG-CD2 4.48Å; R269-F278 HydrophobicContact CG-CE1 4.35Å; R269-F278 HydrophobicContact CG-CG 3.69Å; V273-F278 HydrophobicContact CG1-CB 3.84Å; V273-F278 HydrophobicContact CG1-CD2 4.46Å; P274-F278 PolarHBondContact O-N 2.86Å; D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.92Å; F278-E281 PolarHBondContact O-N 3.27Å; F278-I282 HydrophobicContact CD1-CD1 3.45Å; F278-I282 VanDerWaalsContact CD1-CD1 3.45Å; F278-I282 HydrophobicContact CD1-CG1 4.14Å; F278-I282 HydrophobicContact CE1-CD1 3.43Å; F278-I282 VanDerWaalsContact CE1-CD1 3.43Å; F278-I282 HydrophobicContact CE1-CG1 3.95Å; F278-I282 HydrophobicContact CG-CD1 4.21Å; F278-I282 HydrophobicContact CZ-CD1 4.14Å; F278-I282 HydrophobicContact CZ-CG1 4.15Å; F278-I282 WeakPolarHBondContact O-CD1 3.49Å; F278-I282 VanDerWaalsContact O-CG1 3.23Å; F278-I282 WeakPolarHBondContact O-CG1 3.49Å; F278-I282 PolarHBondContact O-N 2.71Å; F278-Y295 AromaticContact CD1-CE2 3.64Å; F278-Y295 HydrophobicContact CD1-CE2 3.64Å; F278-Y295 AromaticContact CD1-CZ 3.7Å; F278-Y295 HydrophobicContact CE1-CD2 4.22Å; F278-Y295 AromaticContact CE1-CE2 3.75Å; F278-Y295 HydrophobicContact CE1-CE2 3.75Å
279	T	92.1	Very high	93.6	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-37.8	176.8	-56.4	0	0	0	0	111.5	I275 D276 V277 I282 N283	I275-T279 WeakPolarHBondContact O-CB 3.47Å; I275-T279 PolarHBondContact O-N 3.04Å; I275-T279 PolarHBondContact O-OG1 2.92Å; D276-T279 WeakPolarHBondContact O-CB 3.27Å; D276-T279 PolarHBondContact O-N 3.39Å; V277-T279 VanDerWaalsContact C-N 3.33Å; V277-T279 PolarHBondContact O-N 3.48Å; T279-I282 PolarHBondContact O-N 3.14Å; T279-N283 WeakPolarHBondContact O-CB 3.42Å; T279-N283 PolarHBondContact O-N 2.93Å; T279-N283 PolarHBondContact O-ND2 3.04Å
280	E	94	Very high	93.3	Very high	123 Å²	123	57.9 Å²	57.9	58%	0.575	31%	0.308	S	S	*	.	H	α-helix	trans	-62.9	-40.7	172	-70.2	-175.6	176	0	0	112.7	D276 V277 N283 F284	D276-E280 PolarHBondContact O-N 2.7Å; V277-E280 PolarHBondContact O-N 2.86Å; E280-N283 PolarHBondContact O-N 3.14Å; E280-F284 WeakPolarHBondContact O-CB 3.46Å; E280-F284 PolarHBondContact O-N 2.67Å
281	E	96.6	Very high	93.1	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-44.2	175.9	-64.8	-67.8	138.6	0	0	111.8	R249 N250 V277 F278 N283 F284 Y285	R249-E281 IonicContact CZ-OE1 3.74Å; R249-E281 IonicContact CZ-OE2 2.73Å; R249-E281 IonicContact NE-OE1 2.66Å; R249-E281 PolarHBondContact NE-OE1 2.93Å; R249-E281 IonicContact NE-OE2 3.54Å; R249-E281 PolarHBondContact NE-OE2 3.35Å; R249-E281 VanDerWaalsContact NH2-CD 3.33Å; R249-E281 IonicContact NH2-OE1 3.89Å; R249-E281 PolarHBondContact NH2-OE1 3.27Å; R249-E281 IonicContact NH2-OE2 3.28Å; N250-E281 HydrophobicContact CB-CG 3.91Å; N250-E281 WeakPolarHBondContact CB-OE1 3.41Å; N250-E281 PolarHBondContact N-OE1 2.89Å; V277-E281 WeakPolarHBondContact O-CG 3.21Å; V277-E281 PolarHBondContact O-N 2.93Å; V277-E281 VanDerWaalsContact O-N 3.14Å; F278-E281 PolarHBondContact O-N 3.27Å; E281-N283 VanDerWaalsContact C-N 3.3Å; E281-N283 PolarHBondContact O-N 3.18Å; E281-F284 PolarHBondContact O-N 3.06Å; E281-F284 VanDerWaalsContact O-N 3.14Å; E281-Y285 HydrophobicContact CB-CD2 4.43Å; E281-Y285 HydrophobicContact CB-CE2 4.25Å; E281-Y285 WeakPolarHBondContact O-CD2 3.48Å; E281-Y285 PolarHBondContact O-N 3.26Å; E281-Y285 WeakPolarHBondContact OE2-CE2 3.23Å; E281-Y285 PolarHBondContact OE2-OH 2.84Å
282	I	95.1	Very high	92.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-46.3	175.1	-67	161.5	0	0	0	110.8	I257 L267 F278 T279 E286 I287 I292 Y295	I257-I282 HydrophobicContact CD1-CG1 4.05Å; L267-I282 HydrophobicContact CD1-CG1 4.33Å; L267-I282 HydrophobicContact CD2-CD1 3.87Å; L267-I282 HydrophobicContact CD2-CG1 3.98Å; L267-I282 HydrophobicContact CD2-CG2 4.09Å; L267-I282 HydrophobicContact CG-CD1 4.42Å; F278-I282 HydrophobicContact CD1-CD1 3.45Å; F278-I282 VanDerWaalsContact CD1-CD1 3.45Å; F278-I282 HydrophobicContact CD1-CG1 4.14Å; F278-I282 HydrophobicContact CE1-CD1 3.43Å; F278-I282 VanDerWaalsContact CE1-CD1 3.43Å; F278-I282 HydrophobicContact CE1-CG1 3.95Å; F278-I282 HydrophobicContact CG-CD1 4.21Å; F278-I282 HydrophobicContact CZ-CD1 4.14Å; F278-I282 HydrophobicContact CZ-CG1 4.15Å; F278-I282 WeakPolarHBondContact O-CD1 3.49Å; F278-I282 VanDerWaalsContact O-CG1 3.23Å; F278-I282 WeakPolarHBondContact O-CG1 3.49Å; F278-I282 PolarHBondContact O-N 2.71Å; T279-I282 PolarHBondContact O-N 3.14Å; I282-E286 PolarHBondContact O-N 3.36Å; I282-I287 HydrophobicContact CG2-CB 3.9Å; I282-I287 HydrophobicContact CG2-CG1 4.08Å; I282-I287 PolarHBondContact O-N 3.41Å; I282-I292 HydrophobicContact CG2-CD1 3.96Å; I282-I292 HydrophobicContact CG2-CG1 3.69Å; I282-Y295 HydrophobicContact CD1-CD1 3.61Å; I282-Y295 HydrophobicContact CD1-CD2 4.26Å; I282-Y295 HydrophobicContact CD1-CE1 3.47Å; I282-Y295 VanDerWaalsContact CD1-CE1 3.47Å; I282-Y295 HydrophobicContact CD1-CE2 4.13Å; I282-Y295 HydrophobicContact CD1-CG 4.02Å
283	N	94.5	Very high	92.6	Very high	85 Å²	85	50 Å²	50	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-40.6	176.8	-70.2	-25.2	0	0	0	111.8	T279 E280 E281 E286	T279-N283 WeakPolarHBondContact O-CB 3.42Å; T279-N283 PolarHBondContact O-N 2.93Å; T279-N283 PolarHBondContact O-ND2 3.04Å; E280-N283 PolarHBondContact O-N 3.14Å; E281-N283 VanDerWaalsContact C-N 3.3Å; E281-N283 PolarHBondContact O-N 3.18Å; N283-E286 PolarHBondContact O-N 3.36Å
284	F	96.5	Very high	92.3	Very high	47 Å²	47	55.4 Å²	55.4	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-43.4	179.2	170.8	-95.4	0	0	0	113.4	L227 Y237 F247 R249 E280 E281 E286	L227-F284 HydrophobicContact CD1-CD1 4.44Å; L227-F284 HydrophobicContact CD1-CE1 3.92Å; L227-F284 HydrophobicContact CD1-CE2 4.24Å; L227-F284 HydrophobicContact CD1-CZ 3.82Å; L227-F284 VanDerWaalsContact CD1-O 3.3Å; L227-F284 WeakPolarHBondContact CD1-O 3.39Å; Y237-F284 HydrophobicContact CE1-CZ 4.11Å; Y237-F284 AromaticContact CZ-CZ 3.88Å; F247-F284 AromaticContact CD1-CE1 3.83Å; F247-F284 HydrophobicContact CD1-CE1 3.83Å; F247-F284 HydrophobicContact CD1-CZ 4.03Å; F247-F284 HydrophobicContact CE1-CE1 4.14Å; F247-F284 HydrophobicContact CE1-CZ 4.32Å; R249-F284 HydrophobicContact CG-CE1 4.43Å; R249-F284 VanDerWaalsContact CZ-CB 3.49Å; E280-F284 WeakPolarHBondContact O-CB 3.46Å; E280-F284 PolarHBondContact O-N 2.67Å; E281-F284 PolarHBondContact O-N 3.06Å; E281-F284 VanDerWaalsContact O-N 3.14Å; F284-E286 PolarHBondContact O-N 3Å; F284-E286 VanDerWaalsContact O-N 3.16Å
285	Y	97	Very high	92.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	3.8	177.9	-65.6	-69.1	0	0	0	113	L227 L228 F247 F254 I257 E281 I287	L227-Y285 WeakPolarHBondContact CB-O 3.48Å; L227-Y285 PolarHBondContact N-O 2.77Å; L228-Y285 HydrophobicContact CD1-CD1 4.16Å; L228-Y285 HydrophobicContact CD2-CD1 4.1Å; L228-Y285 HydrophobicContact CD2-CE1 4.33Å; L228-Y285 HydrophobicContact CG-CD1 4.02Å; F247-Y285 HydrophobicContact CD1-CE1 4.12Å; F247-Y285 HydrophobicContact CE1-CE1 4.23Å; F247-Y285 HydrophobicContact CG-CE1 4.49Å; F254-Y285 HydrophobicContact CD2-CE1 4.04Å; F254-Y285 AromaticContact CD2-CE2 3.9Å; F254-Y285 HydrophobicContact CD2-CE2 3.9Å; F254-Y285 AromaticContact CD2-CZ 3.53Å; F254-Y285 WeakPolarHBondContact CD2-OH 3.4Å; F254-Y285 HydrophobicContact CE2-CD1 4.35Å; F254-Y285 AromaticContact CE2-CE1 3.68Å; F254-Y285 HydrophobicContact CE2-CE1 3.68Å; F254-Y285 HydrophobicContact CE2-CE2 4.31Å; F254-Y285 AromaticContact CE2-CZ 3.69Å; I257-Y285 HydrophobicContact CB-CD2 4.23Å; I257-Y285 HydrophobicContact CD1-CD2 3.96Å; I257-Y285 HydrophobicContact CG1-CD2 3.73Å; I257-Y285 HydrophobicContact CG1-CE2 4.05Å; I257-Y285 HydrophobicContact CG2-CD1 4.4Å; I257-Y285 HydrophobicContact CG2-CD2 3.63Å; I257-Y285 HydrophobicContact CG2-CE2 4.21Å; I257-Y285 HydrophobicContact CG2-CG 3.77Å; E281-Y285 HydrophobicContact CB-CD2 4.43Å; E281-Y285 HydrophobicContact CB-CE2 4.25Å; E281-Y285 WeakPolarHBondContact O-CD2 3.48Å; E281-Y285 PolarHBondContact O-N 3.26Å; E281-Y285 WeakPolarHBondContact OE2-CE2 3.23Å; E281-Y285 PolarHBondContact OE2-OH 2.84Å; Y285-I287 VanDerWaalsContact C-N 3.3Å; Y285-I287 PolarHBondContact O-N 2.74Å
286	E	95.5	Very high	92.1	Very high	87 Å²	87	53 Å²	53	41%	0.407	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	45.7	177.8	-56.9	-178	-131.5	0	0	111.9	T226 L227 K233 I282 N283 F284	T226-E286 VanDerWaalsContact CA-O 3.26Å; T226-E286 WeakPolarHBondContact CA-O 3.34Å; T226-E286 WeakPolarHBondContact CB-O 3.4Å; T226-E286 WeakPolarHBondContact CG2-O 3.38Å; L227-E286 HydrophobicContact CB-CB 4.45Å; L227-E286 HydrophobicContact CB-CG 4.44Å; K233-E286 WeakPolarHBondContact CE-OE2 3.44Å; K233-E286 IonicContact NZ-OE1 3.3Å; K233-E286 IonicContact NZ-OE2 2.71Å; K233-E286 PolarHBondContact NZ-OE2 3.47Å; I282-E286 PolarHBondContact O-N 3.36Å; N283-E286 PolarHBondContact O-N 3.36Å; F284-E286 PolarHBondContact O-N 3Å; F284-E286 VanDerWaalsContact O-N 3.16Å
287	I	95.4	Very high	91.8	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	25%	0.253	C	S	.	.			trans	-64.2	141.7	176.9	-55.8	-59.4	0	0	0	109.9	T226 I257 Y260 Y261 L267 I282 Y285 A291 I292	T226-I287 HydrophobicContact CG2-CD1 4.45Å; I257-I287 HydrophobicContact CD1-CG1 4.44Å; Y260-I287 HydrophobicContact CD1-CD1 3.97Å; Y260-I287 HydrophobicContact CD2-CG2 4.44Å; Y260-I287 HydrophobicContact CE1-CD1 3.97Å; Y260-I287 HydrophobicContact CE1-CG2 4.03Å; Y260-I287 HydrophobicContact CE2-CG2 3.93Å; Y261-I287 HydrophobicContact CE2-CD1 4.22Å; L267-I287 HydrophobicContact CD2-CG2 4.25Å; I282-I287 HydrophobicContact CG2-CB 3.9Å; I282-I287 HydrophobicContact CG2-CG1 4.08Å; I282-I287 PolarHBondContact O-N 3.41Å; Y285-I287 VanDerWaalsContact C-N 3.3Å; Y285-I287 PolarHBondContact O-N 2.74Å; I287-A291 HydrophobicContact CG2-CB 3.91Å; I287-I292 WeakPolarHBondContact O-CD1 3.43Å
288	D	91	Very high	91.3	Very high	42 Å²	42	52.7 Å²	52.7	23%	0.225	26%	0.257	C	S	.	.			trans	-56.7	137.7	-175.9	-64.5	-54.8	0	0	0	112.4	N225 Y260 D290 A291 I292	N225-D288 WeakPolarHBondContact CB-OD1 3.28Å; N225-D288 PolarHBondContact ND2-OD1 2.68Å; Y260-D288 PolarHBondContact OH-OD2 3.09Å; D288-D290 VanDerWaalsContact C-N 3.26Å; D288-D290 PolarHBondContact O-N 3.45Å; D288-D290 VanDerWaalsContact O-N 3.16Å; D288-A291 WeakPolarHBondContact O-CA 3.3Å; D288-A291 WeakPolarHBondContact O-CB 3.5Å; D288-A291 PolarHBondContact O-N 3.18Å; D288-I292 PolarHBondContact O-N 3.41Å
289	E	89.2	Confident	90.7	Very high	110 Å²	110	55.1 Å²	55.1	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-56.9	-35.3	-173.5	-168.2	71.8	-148.1	0	0	112.8	A291 I292 E293 R296	E289-A291 PolarHBondContact O-N 3.26Å; E289-I292 CarbonylContact O-C 3.56Å; E289-I292 WeakPolarHBondContact O-CA 3.33Å; E289-I292 WeakPolarHBondContact O-CB 3.27Å; E289-I292 PolarHBondContact O-N 3.28Å; E289-E293 WeakPolarHBondContact O-CB 3.33Å; E289-E293 PolarHBondContact O-N 2.91Å; E289-R296 IonicContact OE1-NH1 2.9Å; E289-R296 PolarHBondContact OE1-NH1 3.25Å
290	D	89.4	Confident	89.8	Confident	134 Å²	134	55.3 Å²	55.3	72%	0.717	28%	0.276	S	S	*	.	H	α-helix	trans	-58.1	-34.9	174.9	-61.1	-13.6	0	0	0	112.4	D288 K294	D288-D290 VanDerWaalsContact C-N 3.26Å; D288-D290 PolarHBondContact O-N 3.45Å; D288-D290 VanDerWaalsContact O-N 3.16Å; D290-K294 VanDerWaalsContact O-CB 3.27Å; D290-K294 WeakPolarHBondContact O-CB 3.47Å; D290-K294 PolarHBondContact O-N 2.88Å; D290-K294 VanDerWaalsContact O-N 3.1Å
291	A	91	Very high	88.6	Confident	13 Å²	13	53.7 Å²	53.7	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-79.7	-31	176.3	0	0	0	0	0	112	Y260 I287 D288 E289 Y295	Y260-A291 HydrophobicContact CD2-CB 4.49Å; Y260-A291 HydrophobicContact CE2-CB 3.59Å; I287-A291 HydrophobicContact CG2-CB 3.91Å; D288-A291 WeakPolarHBondContact O-CA 3.3Å; D288-A291 WeakPolarHBondContact O-CB 3.5Å; D288-A291 PolarHBondContact O-N 3.18Å; E289-A291 PolarHBondContact O-N 3.26Å; A291-Y295 WeakPolarHBondContact O-CB 3.27Å; A291-Y295 PolarHBondContact O-N 3.47Å
292	I	88.8	Confident	86.8	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-45.8	170.7	-56.1	-174	0	0	0	110.4	I282 I287 D288 E289 Y295 R296	I282-I292 HydrophobicContact CG2-CD1 3.96Å; I282-I292 HydrophobicContact CG2-CG1 3.69Å; I287-I292 WeakPolarHBondContact O-CD1 3.43Å; D288-I292 PolarHBondContact O-N 3.41Å; E289-I292 CarbonylContact O-C 3.56Å; E289-I292 WeakPolarHBondContact O-CA 3.33Å; E289-I292 WeakPolarHBondContact O-CB 3.27Å; E289-I292 PolarHBondContact O-N 3.28Å; I292-Y295 WeakPolarHBondContact O-CB 3.47Å; I292-Y295 PolarHBondContact O-N 3.2Å; I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 WeakPolarHBondContact O-CG 3.45Å; I292-R296 PolarHBondContact O-N 3.48Å
293	E	86	Confident	85	Confident	69 Å²	69	63.2 Å²	63.2	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-46.4	178.3	-165.1	-170.8	-128.2	0	0	110.9	E289 Y295 R296 D297 R303	E289-E293 WeakPolarHBondContact O-CB 3.33Å; E289-E293 PolarHBondContact O-N 2.91Å; E293-Y295 VanDerWaalsContact C-N 3.35Å; E293-Y295 PolarHBondContact O-N 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.42Å; E293-R296 PolarHBondContact O-N 2.91Å; E293-D297 PolarHBondContact O-N 3.46Å; E293-R303 IonicContact OE1-CZ 3.59Å; E293-R303 IonicContact OE1-NH1 2.79Å; E293-R303 PolarHBondContact OE1-NH1 3.24Å; E293-R303 IonicContact OE1-NH2 3.42Å; E293-R303 PolarHBondContact OE1-NH2 3.06Å; E293-R303 IonicContact OE2-CZ 3.15Å; E293-R303 IonicContact OE2-NH1 2.67Å; E293-R303 PolarHBondContact OE2-NH1 3.44Å; E293-R303 IonicContact OE2-NH2 2.83Å; E293-R303 PolarHBondContact OE2-NH2 3.23Å
294	K	87.8	Confident	83.4	Confident	115 Å²	115	66.2 Å²	66.2	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-37	174.7	-177.4	-179.1	174.9	-171.9	0	113.1	D290 D298	D290-K294 VanDerWaalsContact O-CB 3.27Å; D290-K294 WeakPolarHBondContact O-CB 3.47Å; D290-K294 PolarHBondContact O-N 2.88Å; D290-K294 VanDerWaalsContact O-N 3.1Å; K294-D298 WeakPolarHBondContact O-CB 3.37Å; K294-D298 PolarHBondContact O-N 3.17Å
295	Y	89.9	Confident	81.7	Confident	3 Å²	3	71.3 Å²	71.3	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-64.3	-44.8	173.4	158.5	-103.9	0	0	0	111.3	L267 R269 F278 I282 A291 I292 E293 D298 E299	L267-Y295 HydrophobicContact CD2-CG 4.18Å; L267-Y295 HydrophobicContact CG-CD2 4.49Å; R269-Y295 HydrophobicContact CB-CE2 4.06Å; F278-Y295 AromaticContact CD1-CE2 3.64Å; F278-Y295 HydrophobicContact CD1-CE2 3.64Å; F278-Y295 AromaticContact CD1-CZ 3.7Å; F278-Y295 HydrophobicContact CE1-CD2 4.22Å; F278-Y295 AromaticContact CE1-CE2 3.75Å; F278-Y295 HydrophobicContact CE1-CE2 3.75Å; I282-Y295 HydrophobicContact CD1-CD1 3.61Å; I282-Y295 HydrophobicContact CD1-CD2 4.26Å; I282-Y295 HydrophobicContact CD1-CE1 3.47Å; I282-Y295 VanDerWaalsContact CD1-CE1 3.47Å; I282-Y295 HydrophobicContact CD1-CE2 4.13Å; I282-Y295 HydrophobicContact CD1-CG 4.02Å; A291-Y295 WeakPolarHBondContact O-CB 3.27Å; A291-Y295 PolarHBondContact O-N 3.47Å; I292-Y295 WeakPolarHBondContact O-CB 3.47Å; I292-Y295 PolarHBondContact O-N 3.2Å; E293-Y295 VanDerWaalsContact C-N 3.35Å; E293-Y295 PolarHBondContact O-N 3.44Å; Y295-D298 PolarHBondContact O-N 3.35Å; Y295-E299 HydrophobicContact CD2-CG 3.71Å; Y295-E299 HydrophobicContact CE2-CG 3.21Å; Y295-E299 WeakPolarHBondContact O-CG 3.34Å; Y295-E299 PolarHBondContact O-N 3.47Å
296	R	86.3	Confident	80	Confident	92 Å²	92	77.6 Å²	77.6	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-57	-49.8	173.6	-78.1	175.6	179.1	148.9	4.7	111.2	E289 I292 E293 D298 E299 G300 F301	E289-R296 IonicContact OE1-NH1 2.9Å; E289-R296 PolarHBondContact OE1-NH1 3.25Å; I292-R296 WeakPolarHBondContact O-CB 3.42Å; I292-R296 WeakPolarHBondContact O-CG 3.45Å; I292-R296 PolarHBondContact O-N 3.48Å; E293-R296 WeakPolarHBondContact O-CB 3.42Å; E293-R296 PolarHBondContact O-N 2.91Å; R296-D298 PolarHBondContact O-N 2.93Å; R296-E299 PolarHBondContact O-N 2.85Å; R296-G300 PolarHBondContact O-N 2.65Å; R296-G300 VanDerWaalsContact O-N 3.17Å; R296-F301 HydrophobicContact CB-CB 3.88Å; R296-F301 HydrophobicContact CB-CD2 4.29Å; R296-F301 HydrophobicContact CB-CG 4.33Å; R296-F301 HydrophobicContact CG-CB 4.27Å; R296-F301 HydrophobicContact CG-CD2 4.2Å; R296-F301 HydrophobicContact CG-CG 4.27Å; R296-F301 WeakPolarHBondContact O-CB 3.03Å; R296-F301 PolarHBondContact O-N 3Å
297	D	82.6	Confident	78.7	Confident	78 Å²	78	79.5 Å²	79.5	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-38	176.7	-72.4	-21.5	0	0	0	112.4	E293 G300 R303	E293-D297 PolarHBondContact O-N 3.46Å; D297-G300 PolarHBondContact O-N 3.05Å; D297-R303 IonicContact OD1-CZ 3.25Å; D297-R303 IonicContact OD1-NE 3.46Å; D297-R303 PolarHBondContact OD1-NE 3.35Å; D297-R303 VanDerWaalsContact OD1-NE 3.09Å; D297-R303 IonicContact OD1-NH2 3.92Å; D297-R303 IonicContact OD2-CZ 2.99Å; D297-R303 IonicContact OD2-NE 3.34Å; D297-R303 IonicContact OD2-NH2 2.63Å; D297-R303 PolarHBondContact OD2-NH2 3.4Å
298	D	83.7	Confident	77.9	Confident	56 Å²	56	83.8 Å²	83.8	30%	0.299	42%	0.416	S	S	.	.	H	α-helix	trans	-74.1	-33.2	179.3	-107.4	-29.3	0	0	0	113.4	R32 R268 K294 Y295 R296 G300	R32-D298 IonicContact NH2-OD1 2.84Å; R32-D298 PolarHBondContact NH2-OD1 3.33Å; R268-D298 IonicContact CZ-OD1 3.65Å; R268-D298 IonicContact CZ-OD2 2.71Å; R268-D298 IonicContact NE-OD2 3.21Å; R268-D298 PolarHBondContact NE-OD2 2.86Å; R268-D298 VanDerWaalsContact NH2-CG 3.25Å; R268-D298 IonicContact NH2-OD1 3.42Å; R268-D298 PolarHBondContact NH2-OD1 2.73Å; R268-D298 IonicContact NH2-OD2 3.51Å; R268-D298 PolarHBondContact NH2-OD2 3.01Å; K294-D298 WeakPolarHBondContact O-CB 3.37Å; K294-D298 PolarHBondContact O-N 3.17Å; Y295-D298 PolarHBondContact O-N 3.35Å; R296-D298 PolarHBondContact O-N 2.93Å; D298-G300 VanDerWaalsContact C-N 3.29Å
299	E	83.1	Confident	77.4	Confident	51 Å²	51	84.7 Å²	84.7	24%	0.238	42%	0.421	C	S	.	.	H	α-helix	trans	-80.5	-7.7	173.8	-66.1	-71.9	139.4	0	0	112.8	R269 Y295 R296 F301	R269-E299 WeakPolarHBondContact CB-OE1 3.48Å; R269-E299 IonicContact CZ-OE2 2.77Å; R269-E299 VanDerWaalsContact CZ-OE2 3.23Å; R269-E299 IonicContact NE-OE1 3.93Å; R269-E299 IonicContact NE-OE2 2.84Å; R269-E299 PolarHBondContact NE-OE2 2.8Å; R269-E299 IonicContact NH2-OE2 2.83Å; R269-E299 PolarHBondContact NH2-OE2 2.92Å; Y295-E299 HydrophobicContact CD2-CG 3.71Å; Y295-E299 HydrophobicContact CE2-CG 3.21Å; Y295-E299 WeakPolarHBondContact O-CG 3.34Å; Y295-E299 PolarHBondContact O-N 3.47Å; R296-E299 PolarHBondContact O-N 2.85Å; E299-F301 HydrophobicContact CB-CD2 3.98Å; E299-F301 HydrophobicContact CB-CE2 4.16Å
300	G	71.7	Confident	77.3	Confident	33 Å²	33	79.7 Å²	79.7	34%	0.34	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	25.5	180	0	0	0	0	0	114.5	R296 D297 D298 I302 Y646	R296-G300 PolarHBondContact O-N 2.65Å; R296-G300 VanDerWaalsContact O-N 3.17Å; D297-G300 PolarHBondContact O-N 3.05Å; D298-G300 VanDerWaalsContact C-N 3.29Å; G300-I302 WeakPolarHBondContact O-CD1 3.35Å; G300-I302 PolarHBondContact O-N 2.83Å; G300-Y646 PolarHBondContact O-OH 2.98Å; G300-Y646 VanDerWaalsContact O-OH 3.06Å
301	F	68.7	Low	76.8	Confident	89 Å²	89	82.1 Å²	82.1	39%	0.39	41%	0.405	S	S	.	.			trans	-70.5	107.3	159.5	-71.3	-94.1	0	0	0	108.5	I275 R296 E299 R303	I275-F301 HydrophobicContact CG2-CE2 3.6Å; I275-F301 HydrophobicContact CG2-CZ 3.41Å; I275-F301 VanDerWaalsContact CG2-CZ 3.41Å; R296-F301 HydrophobicContact CB-CB 3.88Å; R296-F301 HydrophobicContact CB-CD2 4.29Å; R296-F301 HydrophobicContact CB-CG 4.33Å; R296-F301 HydrophobicContact CG-CB 4.27Å; R296-F301 HydrophobicContact CG-CD2 4.2Å; R296-F301 HydrophobicContact CG-CG 4.27Å; R296-F301 WeakPolarHBondContact O-CB 3.03Å; R296-F301 PolarHBondContact O-N 3Å; E299-F301 HydrophobicContact CB-CD2 3.98Å; E299-F301 HydrophobicContact CB-CE2 4.16Å; F301-R303 PolarHBondContact O-N 2.95Å
302	I	60	Low	76.7	Confident	85 Å²	85	86.5 Å²	86.5	44%	0.436	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-66.7	128.1	168.3	-66.9	78.4	0	0	0	107.7	G300 E304 Y646	G300-I302 WeakPolarHBondContact O-CD1 3.35Å; G300-I302 PolarHBondContact O-N 2.83Å; I302-E304 PolarHBondContact O-N 3.17Å; I302-E304 VanDerWaalsContact O-N 3.12Å; I302-Y646 HydrophobicContact CD1-CE1 4.12Å; I302-Y646 WeakPolarHBondContact CD1-OH 3.19Å
303	R	57.3	Low	76.8	Confident	124 Å²	124	94.7 Å²	94.7	47%	0.468	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-52.8	116.5	167.5	-57.2	175.2	-174.3	-137.2	-2.4	108.6	E293 D297 F301 D305	E293-R303 IonicContact OE1-CZ 3.59Å; E293-R303 IonicContact OE1-NH1 2.79Å; E293-R303 PolarHBondContact OE1-NH1 3.24Å; E293-R303 IonicContact OE1-NH2 3.42Å; E293-R303 PolarHBondContact OE1-NH2 3.06Å; E293-R303 IonicContact OE2-CZ 3.15Å; E293-R303 IonicContact OE2-NH1 2.67Å; E293-R303 PolarHBondContact OE2-NH1 3.44Å; E293-R303 IonicContact OE2-NH2 2.83Å; E293-R303 PolarHBondContact OE2-NH2 3.23Å; D297-R303 IonicContact OD1-CZ 3.25Å; D297-R303 IonicContact OD1-NE 3.46Å; D297-R303 PolarHBondContact OD1-NE 3.35Å; D297-R303 VanDerWaalsContact OD1-NE 3.09Å; D297-R303 IonicContact OD1-NH2 3.92Å; D297-R303 IonicContact OD2-CZ 2.99Å; D297-R303 IonicContact OD2-NE 3.34Å; D297-R303 IonicContact OD2-NH2 2.63Å; D297-R303 PolarHBondContact OD2-NH2 3.4Å; F301-R303 PolarHBondContact O-N 2.95Å; R303-D305 PolarHBondContact O-N 3.07Å; R303-D305 VanDerWaalsContact O-N 3.08Å
304	E	60.1	Low	77	Confident	149 Å²	149	97.6 Å²	97.6	70%	0.696	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-57.9	117.4	169.1	-71.2	-174.4	-160.4	0	0	108.1	I302 V306	I302-E304 PolarHBondContact O-N 3.17Å; I302-E304 VanDerWaalsContact O-N 3.12Å; E304-V306 PolarHBondContact O-N 3.06Å
305	D	60.2	Low	77.1	Confident	153 Å²	153	94.1 Å²	94.1	82%	0.818	46%	0.464	S	S	*	.			trans	-55.4	108.2	176.4	-79.1	-39.7	0	0	0	108.3	R303 K307	R303-D305 PolarHBondContact O-N 3.07Å; R303-D305 VanDerWaalsContact O-N 3.08Å; D305-K307 PolarHBondContact O-N 3.04Å
306	V	61.9	Low	77.1	Confident	132 Å²	132	98.6 Å²	98.6	80%	0.8	48%	0.48	S	S	*	.			trans	-60.9	107.3	-170.8	178.6	0	0	0	0	108.7	E304 I308	E304-V306 PolarHBondContact O-N 3.06Å; V306-I308 PolarHBondContact O-N 3.25Å
307	K	69.4	Low	77.4	Confident	128 Å²	128	101.9 Å²	101.9	56%	0.557	50%	0.497	S	S	*	.			trans	-66.3	93.4	-175.3	-67.4	171.2	-178.1	167.7	0	109.7	D305 L309 Y324	D305-K307 PolarHBondContact O-N 3.04Å; K307-L309 PolarHBondContact O-N 3.41Å; K307-L309 VanDerWaalsContact O-N 3.1Å; K307-Y324 HydrophobicContact CD-CE1 3.96Å
308	I	76.6	Confident	77.9	Confident	96 Å²	96	101.4 Å²	101.4	49%	0.492	49%	0.494	S	S	.	.			trans	-61.4	114.6	176.6	-54.8	178	0	0	0	108.1	V306 P479	V306-I308 PolarHBondContact O-N 3.25Å; I308-P479 HydrophobicContact CB-CG 4.38Å; I308-P479 HydrophobicContact CG2-CB 4.1Å; I308-P479 HydrophobicContact CG2-CG 4.12Å
309	L	82.5	Confident	78.2	Confident	62 Å²	62	99.7 Å²	99.7	33%	0.325	48%	0.484	S	S	.	.			trans	-94.8	140.4	178.3	-73.2	161	0	0	0	109.7	K307 R316 L320	K307-L309 PolarHBondContact O-N 3.41Å; K307-L309 VanDerWaalsContact O-N 3.1Å; L309-R316 HydrophobicContact CD2-CG 4.37Å; L309-L320 HydrophobicContact CD2-CD2 4.11Å
310	P	85.1	Confident	78.6	Confident	5 Å²	5	99.7 Å²	99.7	3%	0.032	49%	0.485	C	S	.	.			trans	-56.3	140.5	172.4	-25.1	33.9	0	0	0	112.5	Q315 R316 W319 S477 P479	P310-Q315 HydrophobicContact CB-CB 3.91Å; P310-Q315 HydrophobicContact CB-CG 3.68Å; P310-Q315 HydrophobicContact CG-CG 4.09Å; P310-R316 HydrophobicContact CB-CB 4.41Å; P310-W319 HydrophobicContact CG-CB 3.98Å; P310-W319 HydrophobicContact CG-CG 4.06Å; P310-S477 WeakPolarHBondContact CG-O 3.48Å; P310-P479 HydrophobicContact CG-CB 4.49Å
311	E	80.6	Confident	79.5	Confident	185 Å²	185	100.3 Å²	100.3	86%	0.864	48%	0.48	S	S	*	.	S	Bend	trans	-69	-41.2	179.6	-59.9	-176.7	163.4	0	0	111.9	K313	E311-K313 PolarHBondContact O-N 3.1Å
312	N	88.3	Confident	80.6	Confident	104 Å²	104	97 Å²	97	56%	0.556	47%	0.465	S	S	*	.	S	Bend	trans	-65.8	126.5	-178.7	-73.9	-48.6	0	0	0	111.9	I314 Q315 R316	N312-I314 VanDerWaalsContact C-N 3.33Å; N312-I314 PolarHBondContact O-N 2.84Å; N312-Q315 HydrophobicContact CB-CB 3.62Å; N312-Q315 PolarHBondContact ND2-OE1 2.89Å; N312-Q315 VanDerWaalsContact ND2-OE1 3.15Å; N312-Q315 WeakPolarHBondContact O-CB 3.36Å; N312-Q315 PolarHBondContact O-N 2.89Å; N312-Q315 VanDerWaalsContact O-N 3.14Å; N312-R316 WeakPolarHBondContact O-CB 3.34Å; N312-R316 PolarHBondContact O-N 3.19Å
313	K	89.9	Confident	82	Confident	180 Å²	180	94.2 Å²	94.2	78%	0.783	45%	0.451	S	S	*	.	H	α-helix	trans	-55	-42.2	-177	-66.5	179.4	-178.8	174.6	0	113.7	E311 K317	E311-K313 PolarHBondContact O-N 3.1Å; K313-K317 WeakPolarHBondContact O-CG 3.23Å; K313-K317 PolarHBondContact O-N 3.34Å; K313-K317 VanDerWaalsContact O-N 3.15Å
314	I	90.3	Very high	83.3	Confident	130 Å²	130	91.4 Å²	91.4	67%	0.667	44%	0.441	S	S	*	.	H	α-helix	trans	-69.8	-47.6	178.7	-60.9	173.7	0	0	0	110.2	N312 R316 K317 L318	N312-I314 VanDerWaalsContact C-N 3.33Å; N312-I314 PolarHBondContact O-N 2.84Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.96Å; I314-K317 WeakPolarHBondContact O-CB 3.4Å; I314-K317 PolarHBondContact O-N 2.8Å; I314-K317 VanDerWaalsContact O-N 3.13Å; I314-L318 HydrophobicContact CG2-CD1 4.2Å; I314-L318 PolarHBondContact O-N 2.79Å
315	Q	90.4	Very high	84.6	Confident	42 Å²	42	86.1 Å²	86.1	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-57.8	-44.6	179	-162.5	-174.6	-19.2	0	0	111.4	P310 N312 L318 W319 S477 S478	P310-Q315 HydrophobicContact CB-CB 3.91Å; P310-Q315 HydrophobicContact CB-CG 3.68Å; P310-Q315 HydrophobicContact CG-CG 4.09Å; N312-Q315 HydrophobicContact CB-CB 3.62Å; N312-Q315 PolarHBondContact ND2-OE1 2.89Å; N312-Q315 VanDerWaalsContact ND2-OE1 3.15Å; N312-Q315 WeakPolarHBondContact O-CB 3.36Å; N312-Q315 PolarHBondContact O-N 2.89Å; N312-Q315 VanDerWaalsContact O-N 3.14Å; Q315-L318 PolarHBondContact O-N 3.35Å; Q315-W319 VanDerWaalsContact O-CB 3.32Å; Q315-W319 WeakPolarHBondContact O-CB 3.03Å; Q315-W319 PolarHBondContact O-N 3.08Å; Q315-S477 VanDerWaalsContact CG-O 3.23Å; Q315-S477 WeakPolarHBondContact CG-O 3.25Å; Q315-S477 PolarHBondContact NE2-O 3.12Å; Q315-S478 PolarHBondContact NE2-O 3.31Å
316	R	90.7	Very high	85.7	Confident	96 Å²	96	84.4 Å²	84.4	36%	0.362	41%	0.406	S	S	.	.	H	α-helix	trans	-63.1	-41	175	-176.1	173.2	168.1	169.6	-2.1	112.7	L309 P310 N312 I314 L320	L309-R316 HydrophobicContact CD2-CG 4.37Å; P310-R316 HydrophobicContact CB-CB 4.41Å; N312-R316 WeakPolarHBondContact O-CB 3.34Å; N312-R316 PolarHBondContact O-N 3.19Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.96Å; R316-L320 HydrophobicContact CG-CD1 4.04Å; R316-L320 HydrophobicContact CG-CG 4.46Å; R316-L320 WeakPolarHBondContact O-CB 3.44Å; R316-L320 VanDerWaalsContact O-CG 3.23Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.39Å
317	K	91.3	Very high	86.9	Confident	162 Å²	162	80.5 Å²	80.5	70%	0.704	39%	0.385	S	S	*	.	H	α-helix	trans	-62.4	-45.7	175.5	-78.5	-179.4	175.7	-169.8	0	111.7	K313 I314 L321	K313-K317 WeakPolarHBondContact O-CG 3.23Å; K313-K317 PolarHBondContact O-N 3.34Å; K313-K317 VanDerWaalsContact O-N 3.15Å; I314-K317 WeakPolarHBondContact O-CB 3.4Å; I314-K317 PolarHBondContact O-N 2.8Å; I314-K317 VanDerWaalsContact O-N 3.13Å; K317-L321 WeakPolarHBondContact O-CB 3.33Å; K317-L321 PolarHBondContact O-N 3.15Å
318	L	93	Very high	87.9	Confident	67 Å²	67	76.9 Å²	76.9	35%	0.351	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-42.9	177.3	-70	173	0	0	0	112.1	I314 Q315 L321 F322 I473	I314-L318 HydrophobicContact CG2-CD1 4.2Å; I314-L318 PolarHBondContact O-N 2.79Å; Q315-L318 PolarHBondContact O-N 3.35Å; L318-L321 PolarHBondContact O-N 2.77Å; L318-F322 PolarHBondContact O-N 2.76Å; L318-F322 VanDerWaalsContact O-N 3.08Å; L318-I473 HydrophobicContact CB-CG2 4.39Å
319	W	91.6	Very high	88.6	Confident	21 Å²	21	79 Å²	79	8%	0.08	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-47.7	176.2	-174.1	-105.9	0	0	0	111.3	P310 Q315 L321 F322 E323 Y324 R474 S478 F484	P310-W319 HydrophobicContact CG-CB 3.98Å; P310-W319 HydrophobicContact CG-CG 4.06Å; Q315-W319 VanDerWaalsContact O-CB 3.32Å; Q315-W319 WeakPolarHBondContact O-CB 3.03Å; Q315-W319 PolarHBondContact O-N 3.08Å; W319-L321 VanDerWaalsContact C-N 3.33Å; W319-L321 PolarHBondContact O-N 2.84Å; W319-F322 PolarHBondContact O-N 3.04Å; W319-E323 HydrophobicContact CD2-CB 4.24Å; W319-E323 HydrophobicContact CH2-CG 4.37Å; W319-E323 HydrophobicContact CZ2-CB 4.47Å; W319-E323 HydrophobicContact CZ2-CG 3.89Å; W319-E323 WeakPolarHBondContact O-CB 3.34Å; W319-E323 PolarHBondContact O-N 2.94Å; W319-Y324 AromaticContact NE1-CE2 3.78Å; W319-R474 HydrophobicContact CZ3-CB 4.39Å; W319-R474 WeakPolarHBondContact CZ3-O 3.28Å; W319-S478 VanDerWaalsContact CZ3-CA 3.44Å; W319-F484 HydrophobicContact CH2-CD2 4.25Å; W319-F484 HydrophobicContact CH2-CE2 4.28Å; W319-F484 HydrophobicContact CZ3-CD2 4.34Å; W319-F484 HydrophobicContact CZ3-CE2 4.13Å
320	L	90	Very high	89.2	Confident	50 Å²	50	78.4 Å²	78.4	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-43.7	174.5	-73.3	169.4	0	0	0	112	L309 R316 F322 Y324 S327	L309-L320 HydrophobicContact CD2-CD2 4.11Å; R316-L320 HydrophobicContact CG-CD1 4.04Å; R316-L320 HydrophobicContact CG-CG 4.46Å; R316-L320 WeakPolarHBondContact O-CB 3.44Å; R316-L320 VanDerWaalsContact O-CG 3.23Å; R316-L320 WeakPolarHBondContact O-CG 3.44Å; R316-L320 PolarHBondContact O-N 3.39Å; L320-F322 PolarHBondContact O-N 3.24Å; L320-Y324 HydrophobicContact CD2-CD2 4.04Å; L320-Y324 CarbonylContact O-C 3.59Å; L320-Y324 PolarHBondContact O-N 3.31Å; L320-S327 PolarHBondContact O-OG 3.29Å
321	L	91.5	Very high	89.6	Confident	46 Å²	46	78.2 Å²	78.2	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-36.8	-177.9	-174	70	0	0	0	113.8	K317 L318 W319 A330 A331 V334	K317-L321 WeakPolarHBondContact O-CB 3.33Å; K317-L321 PolarHBondContact O-N 3.15Å; L318-L321 PolarHBondContact O-N 2.77Å; W319-L321 VanDerWaalsContact C-N 3.33Å; W319-L321 PolarHBondContact O-N 2.84Å; L321-A330 HydrophobicContact CD1-CB 3.82Å; L321-A331 HydrophobicContact CD1-CB 4.11Å; L321-V334 HydrophobicContact CD1-CG2 4.3Å; L321-V334 HydrophobicContact CG-CG2 4.33Å
322	F	91.7	Very high	90.2	Very high	19 Å²	19	75.6 Å²	75.6	8%	0.083	37%	0.371	C	S	.	.	H	α-helix	trans	-104.2	-20.3	-174.6	-80.1	-93.5	0	0	0	115	L318 W319 L320 V334 F469 E470 I473 R474	L318-F322 PolarHBondContact O-N 2.76Å; L318-F322 VanDerWaalsContact O-N 3.08Å; W319-F322 PolarHBondContact O-N 3.04Å; L320-F322 PolarHBondContact O-N 3.24Å; F322-V334 HydrophobicContact CD1-CG1 4.03Å; F322-V334 HydrophobicContact CE1-CG1 3.91Å; F322-V334 HydrophobicContact CZ-CG1 4.35Å; F322-F469 HydrophobicContact CE1-CE1 4.33Å; F322-F469 HydrophobicContact CZ-CE1 4.01Å; F322-E470 HydrophobicContact CD1-CG 3.95Å; F322-E470 HydrophobicContact CE1-CG 4.22Å; F322-I473 HydrophobicContact CD2-CG2 3.57Å; F322-I473 HydrophobicContact CE1-CD1 4.47Å; F322-I473 HydrophobicContact CE2-CB 4.49Å; F322-I473 HydrophobicContact CE2-CD1 3.95Å; F322-I473 HydrophobicContact CE2-CG2 3.75Å; F322-I473 HydrophobicContact CG-CG2 4Å; F322-I473 HydrophobicContact CZ-CD1 3.77Å; F322-I473 HydrophobicContact CZ-CG2 4.32Å; F322-R474 HydrophobicContact CB-CG 4.05Å; F322-R474 PolarHBondContact O-NE 3.44Å; F322-R474 PolarHBondContact O-NH2 3.44Å
323	E	88.3	Confident	90.4	Very high	28 Å²	28	74 Å²	74	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-98.1	-37	-179.4	-165.2	66.3	-166.2	0	0	112.4	W319 R474 R540	W319-E323 HydrophobicContact CD2-CB 4.24Å; W319-E323 HydrophobicContact CH2-CG 4.37Å; W319-E323 HydrophobicContact CZ2-CB 4.47Å; W319-E323 HydrophobicContact CZ2-CG 3.89Å; W319-E323 WeakPolarHBondContact O-CB 3.34Å; W319-E323 PolarHBondContact O-N 2.94Å; E323-R474 WeakPolarHBondContact OE2-CD 3.41Å; E323-R474 IonicContact OE2-NE 2.67Å; E323-R540 IonicContact OE1-NH1 3.31Å; E323-R540 PolarHBondContact OE1-NH1 3.14Å; E323-R540 IonicContact OE2-CZ 3.77Å; E323-R540 IonicContact OE2-NH1 2.72Å; E323-R540 PolarHBondContact OE2-NH1 3.32Å
324	Y	86.3	Confident	90.6	Very high	65 Å²	65	66.8 Å²	66.8	26%	0.255	34%	0.339	S	S	.	.			trans	-122.4	97.7	-171.5	-61	-67.9	0	0	0	111.6	K307 W319 L320 E326 S327 A331	K307-Y324 HydrophobicContact CD-CE1 3.96Å; W319-Y324 AromaticContact NE1-CE2 3.78Å; L320-Y324 HydrophobicContact CD2-CD2 4.04Å; L320-Y324 CarbonylContact O-C 3.59Å; L320-Y324 PolarHBondContact O-N 3.31Å; Y324-E326 PolarHBondContact O-N 3.04Å; Y324-S327 VanDerWaalsContact O-CB 3.3Å; Y324-S327 WeakPolarHBondContact O-CB 3.15Å; Y324-S327 PolarHBondContact O-N 3.47Å; Y324-S327 PolarHBondContact O-OG 3.39Å; Y324-A331 WeakPolarHBondContact O-CB 3.36Å
325	P	86.8	Confident	90.7	Very high	38 Å²	38	61.2 Å²	61.2	25%	0.247	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.2	-177.7	22.2	-32.9	0	0	0	112.7	S327 A331 R332 A335	P325-S327 PolarHBondContact O-N 3.38Å; P325-A331 CarbonylContact O-C 3.55Å; P325-A331 WeakPolarHBondContact O-CB 3.39Å; P325-R332 WeakPolarHBondContact O-CG 3.42Å; P325-R332 PolarHBondContact O-N 3.35Å; P325-R332 VanDerWaalsContact O-N 3.16Å; P325-A335 HydrophobicContact CB-CB 3.81Å
326	E	82.5	Confident	90.8	Very high	117 Å²	117	64.5 Å²	64.5	55%	0.547	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-72.7	-4.9	179.6	-53.5	-46.5	136.5	0	0	114.9	Y324 S328 R332	Y324-E326 PolarHBondContact O-N 3.04Å; E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 3.33Å; E326-R332 IonicContact OE2-CZ 3.21Å; E326-R332 IonicContact OE2-NE 2.71Å; E326-R332 PolarHBondContact OE2-NE 3.2Å; E326-R332 IonicContact OE2-NH2 2.72Å; E326-R332 PolarHBondContact OE2-NH2 3.01Å
327	S	86.9	Confident	91	Very high	50 Å²	50	62.9 Å²	62.9	35%	0.35	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-69.6	-25.4	-176	70.5	0	0	0	0	114.2	L320 Y324 P325 A331	L320-S327 PolarHBondContact O-OG 3.29Å; Y324-S327 VanDerWaalsContact O-CB 3.3Å; Y324-S327 WeakPolarHBondContact O-CB 3.15Å; Y324-S327 PolarHBondContact O-N 3.47Å; Y324-S327 PolarHBondContact O-OG 3.39Å; P325-S327 PolarHBondContact O-N 3.38Å; S327-A331 VanDerWaalsContact OG-CB 3.29Å; S327-A331 WeakPolarHBondContact OG-CB 3.37Å
328	S	91.3	Very high	91	Very high	51 Å²	51	55.2 Å²	55.2	36%	0.357	30%	0.299	S	S	.	.			trans	-169.6	160.8	-179.8	60.3	0	0	0	0	110.9	E326 A330 A331 R332	E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 3.33Å; S328-A330 PolarHBondContact O-N 3.31Å; S328-A331 WeakPolarHBondContact O-CB 3.44Å; S328-A331 PolarHBondContact O-N 3.13Å; S328-A331 WeakPolarHBondContact OG-CB 3.41Å; S328-A331 PolarHBondContact OG-N 3.43Å; S328-A331 VanDerWaalsContact OG-N 3.12Å; S328-R332 PolarHBondContact O-N 3.26Å
329	I	92.3	Very high	91	Very high	141 Å²	141	54.5 Å²	54.5	72%	0.723	30%	0.295	S	S	*	.	H	α-helix	trans	-60.2	-32.4	174.4	-157.8	160.9	0	0	0	112.2	R332 C333	I329-R332 PolarHBondContact O-N 3.06Å; I329-C333 PolarHBondContact O-N 3.14Å; I329-C333 PolarHBondContact O-SG 3.43Å
330	A	94.3	Very high	91.1	Very high	50 Å²	50	60 Å²	60	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-65.1	-38	173	0	0	0	0	0	112.5	L321 S328 C333 V334	L321-A330 HydrophobicContact CD1-CB 3.82Å; S328-A330 PolarHBondContact O-N 3.31Å; A330-C333 PolarHBondContact O-N 3.3Å; A330-V334 WeakPolarHBondContact O-CG2 3.24Å; A330-V334 PolarHBondContact O-N 3.15Å
331	A	93.3	Very high	91.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68	-39.3	175.2	0	0	0	0	0	111.6	L321 Y324 P325 S327 S328 V334 A335	L321-A331 HydrophobicContact CD1-CB 4.11Å; Y324-A331 WeakPolarHBondContact O-CB 3.36Å; P325-A331 CarbonylContact O-C 3.55Å; P325-A331 WeakPolarHBondContact O-CB 3.39Å; S327-A331 VanDerWaalsContact OG-CB 3.29Å; S327-A331 WeakPolarHBondContact OG-CB 3.37Å; S328-A331 WeakPolarHBondContact O-CB 3.44Å; S328-A331 PolarHBondContact O-N 3.13Å; S328-A331 WeakPolarHBondContact OG-CB 3.41Å; S328-A331 PolarHBondContact OG-N 3.43Å; S328-A331 VanDerWaalsContact OG-N 3.12Å; A331-V334 PolarHBondContact O-N 3.45Å; A331-A335 WeakPolarHBondContact O-CB 3.37Å; A331-A335 PolarHBondContact O-N 2.91Å
332	R	92.5	Very high	91.4	Very high	131 Å²	131	56.5 Å²	56.5	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-46	170.1	-65.5	-170.5	176.4	161.9	-1	111.4	P325 E326 S328 I329 A335 I336	P325-R332 WeakPolarHBondContact O-CG 3.42Å; P325-R332 PolarHBondContact O-N 3.35Å; P325-R332 VanDerWaalsContact O-N 3.16Å; E326-R332 IonicContact OE2-CZ 3.21Å; E326-R332 IonicContact OE2-NE 2.71Å; E326-R332 PolarHBondContact OE2-NE 3.2Å; E326-R332 IonicContact OE2-NH2 2.72Å; E326-R332 PolarHBondContact OE2-NH2 3.01Å; S328-R332 PolarHBondContact O-N 3.26Å; I329-R332 PolarHBondContact O-N 3.06Å; R332-A335 PolarHBondContact O-N 3.22Å; R332-I336 VanDerWaalsContact O-CG1 3.28Å; R332-I336 WeakPolarHBondContact O-CG1 3.4Å; R332-I336 PolarHBondContact O-N 2.72Å
333	C	94.1	Very high	91.4	Very high	69 Å²	69	59.5 Å²	59.5	47%	0.466	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-47.5	175.6	-66.9	0	0	0	0	112.6	I329 A330 A335 I336 C337	I329-C333 PolarHBondContact O-N 3.14Å; I329-C333 PolarHBondContact O-SG 3.43Å; A330-C333 PolarHBondContact O-N 3.3Å; C333-A335 VanDerWaalsContact C-N 3.3Å; C333-A335 PolarHBondContact O-N 3.32Å; C333-I336 PolarHBondContact O-N 3.22Å; C333-C337 PolarHBondContact O-N 3.33Å; C333-C337 PolarHBondContact O-SG 2.86Å
334	V	93.5	Very high	91.6	Very high	30 Å²	30	61 Å²	61	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-42.5	176.9	169.6	0	0	0	0	111.2	L321 F322 A330 A331 C337 S338	L321-V334 HydrophobicContact CD1-CG2 4.3Å; L321-V334 HydrophobicContact CG-CG2 4.33Å; F322-V334 HydrophobicContact CD1-CG1 4.03Å; F322-V334 HydrophobicContact CE1-CG1 3.91Å; F322-V334 HydrophobicContact CZ-CG1 4.35Å; A330-V334 WeakPolarHBondContact O-CG2 3.24Å; A330-V334 PolarHBondContact O-N 3.15Å; A331-V334 PolarHBondContact O-N 3.45Å; V334-C337 PolarHBondContact O-N 3.37Å; V334-S338 PolarHBondContact O-N 3.34Å; V334-S338 PolarHBondContact O-OG 3.16Å
335	A	92.3	Very high	91.8	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-44.2	176.3	0	0	0	0	0	112.9	P325 A331 R332 C333 C337 S338 I339	P325-A335 HydrophobicContact CB-CB 3.81Å; A331-A335 WeakPolarHBondContact O-CB 3.37Å; A331-A335 PolarHBondContact O-N 2.91Å; R332-A335 PolarHBondContact O-N 3.22Å; C333-A335 VanDerWaalsContact C-N 3.3Å; C333-A335 PolarHBondContact O-N 3.32Å; A335-C337 PolarHBondContact O-N 2.9Å; A335-S338 PolarHBondContact O-N 3.25Å; A335-I339 VanDerWaalsContact O-CG1 3.3Å; A335-I339 WeakPolarHBondContact O-CG1 3.49Å; A335-I339 PolarHBondContact O-N 2.87Å
336	I	93.1	Very high	92	Very high	111 Å²	111	58.6 Å²	58.6	57%	0.569	32%	0.317	S	S	*	.	H	α-helix	trans	-61.1	-44.3	176.2	-68.4	163.4	0	0	0	110.8	R332 C333 S338 I339 F340	R332-I336 VanDerWaalsContact O-CG1 3.28Å; R332-I336 WeakPolarHBondContact O-CG1 3.4Å; R332-I336 PolarHBondContact O-N 2.72Å; C333-I336 PolarHBondContact O-N 3.22Å; I336-S338 PolarHBondContact O-N 3.02Å; I336-I339 PolarHBondContact O-N 3.12Å; I336-F340 PolarHBondContact O-N 3.32Å
337	C	93.4	Very high	92.5	Very high	63 Å²	63	57.3 Å²	57.3	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-44.3	173.9	-68.4	0	0	0	0	111.9	C333 V334 A335 I339 F340 V341 W466	C333-C337 PolarHBondContact O-N 3.33Å; C333-C337 PolarHBondContact O-SG 2.86Å; V334-C337 PolarHBondContact O-N 3.37Å; A335-C337 PolarHBondContact O-N 2.9Å; C337-I339 PolarHBondContact O-N 3.3Å; C337-F340 PolarHBondContact O-N 2.69Å; C337-V341 WeakPolarHBondContact O-CG2 3.08Å; C337-V341 PolarHBondContact O-N 3.27Å; C337-W466 HydrophobicContact CB-CZ2 4.17Å
338	S	92.9	Very high	92.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-42.2	176	-71	0	0	0	0	112.7	V334 A335 I336 F340 V341 I342 W466	V334-S338 PolarHBondContact O-N 3.34Å; V334-S338 PolarHBondContact O-OG 3.16Å; A335-S338 PolarHBondContact O-N 3.25Å; I336-S338 PolarHBondContact O-N 3.02Å; S338-F340 VanDerWaalsContact C-N 3.35Å; S338-F340 PolarHBondContact O-N 3.42Å; S338-V341 PolarHBondContact O-N 3.18Å; S338-I342 WeakPolarHBondContact O-CD1 3.33Å; S338-I342 WeakPolarHBondContact O-CG1 3.39Å; S338-I342 PolarHBondContact O-N 2.93Å; S338-W466 PolarHBondContact OG-NE1 3.42Å
339	I	92.7	Very high	92.3	Very high	52 Å²	52	55.2 Å²	55.2	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-45.2	174.5	-65.7	162.8	0	0	0	110.7	A335 I336 C337 V341 I342 I343 L538 H541	A335-I339 VanDerWaalsContact O-CG1 3.3Å; A335-I339 WeakPolarHBondContact O-CG1 3.49Å; A335-I339 PolarHBondContact O-N 2.87Å; I336-I339 PolarHBondContact O-N 3.12Å; C337-I339 PolarHBondContact O-N 3.3Å; I339-V341 PolarHBondContact O-N 3.33Å; I339-I342 PolarHBondContact O-N 2.89Å; I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.41Å; I339-I343 WeakPolarHBondContact O-CG1 3.3Å; I339-I343 PolarHBondContact O-N 2.9Å; I339-L538 HydrophobicContact CG2-CD2 4.27Å; I339-H541 HydrophobicContact CD1-CB 3.76Å; I339-H541 HydrophobicContact CG1-CB 3.91Å
340	F	93.8	Very high	92.1	Very high	135 Å²	135	51.6 Å²	51.6	59%	0.592	28%	0.278	S	S	*	.	H	α-helix	trans	-60.1	-45.9	177.6	178.8	-96	0	0	0	112.2	I336 C337 S338 I342 I343 L344	I336-F340 PolarHBondContact O-N 3.32Å; C337-F340 PolarHBondContact O-N 2.69Å; S338-F340 VanDerWaalsContact C-N 3.35Å; S338-F340 PolarHBondContact O-N 3.42Å; F340-I342 VanDerWaalsContact C-N 3.32Å; F340-I342 PolarHBondContact O-N 3.36Å; F340-I343 PolarHBondContact O-N 2.89Å; F340-L344 HydrophobicContact CE1-CD2 4.33Å; F340-L344 WeakPolarHBondContact O-CB 3.46Å; F340-L344 PolarHBondContact O-N 3.25Å
341	V	94.3	Very high	91.8	Very high	24 Å²	24	51.8 Å²	51.8	15%	0.145	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-37.1	177	177.1	0	0	0	0	111.6	C337 S338 I339 S345 C463 W466 F467	C337-V341 WeakPolarHBondContact O-CG2 3.08Å; C337-V341 PolarHBondContact O-N 3.27Å; S338-V341 PolarHBondContact O-N 3.18Å; I339-V341 PolarHBondContact O-N 3.33Å; V341-S345 WeakPolarHBondContact O-CB 3.48Å; V341-S345 PolarHBondContact O-N 3.36Å; V341-S345 PolarHBondContact O-OG 3.08Å; V341-C463 HydrophobicContact CG1-CB 4.07Å; V341-W466 HydrophobicContact CG1-CB 4.18Å; V341-W466 HydrophobicContact CG1-CG 4.18Å; V341-W466 HydrophobicContact CG2-CG 4.24Å; V341-F467 HydrophobicContact CB-CE1 4.31Å; V341-F467 HydrophobicContact CG1-CD1 4.44Å; V341-F467 HydrophobicContact CG1-CE1 3.68Å; V341-F467 HydrophobicContact CG1-CZ 3.96Å
342	I	92.8	Very high	91.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-52.1	174	-65	158.5	0	0	0	110.6	S338 I339 F340 L344 S345 I346 F467 K537 L538	S338-I342 WeakPolarHBondContact O-CD1 3.33Å; S338-I342 WeakPolarHBondContact O-CG1 3.39Å; S338-I342 PolarHBondContact O-N 2.93Å; I339-I342 PolarHBondContact O-N 2.89Å; F340-I342 VanDerWaalsContact C-N 3.32Å; F340-I342 PolarHBondContact O-N 3.36Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 3.26Å; I342-S345 PolarHBondContact O-N 2.97Å; I342-S345 PolarHBondContact O-OG 3.37Å; I342-I346 HydrophobicContact CG2-CD1 3.81Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 3.24Å; I342-F467 HydrophobicContact CG1-CE1 3.7Å; I342-F467 HydrophobicContact CG1-CZ 3.85Å; I342-K537 HydrophobicContact CD1-CB 3.92Å; I342-K537 HydrophobicContact CD1-CD 3.79Å; I342-K537 HydrophobicContact CD1-CG 3.61Å; I342-K537 HydrophobicContact CG1-CB 4.41Å; I342-K537 HydrophobicContact CG1-CD 4.03Å; I342-K537 HydrophobicContact CG1-CG 4.31Å; I342-L538 HydrophobicContact CB-CD2 4.12Å; I342-L538 HydrophobicContact CD1-CD2 4.09Å; I342-L538 HydrophobicContact CG2-CD1 4.49Å; I342-L538 HydrophobicContact CG2-CD2 3.72Å; I342-L538 HydrophobicContact CG2-CG 3.87Å
343	I	92.4	Very high	90.7	Very high	81 Å²	81	52.1 Å²	52.1	42%	0.415	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-46.3	179.7	-68.1	169.4	0	0	0	110.9	I339 F340 S345 I346 I347	I339-I343 HydrophobicContact CG2-CD1 3.76Å; I339-I343 HydrophobicContact CG2-CG1 4.41Å; I339-I343 WeakPolarHBondContact O-CG1 3.3Å; I339-I343 PolarHBondContact O-N 2.9Å; F340-I343 PolarHBondContact O-N 2.89Å; I343-S345 VanDerWaalsContact C-N 3.34Å; I343-S345 PolarHBondContact O-N 3.49Å; I343-I346 PolarHBondContact O-N 2.88Å; I343-I347 HydrophobicContact CG2-CD1 3.7Å; I343-I347 HydrophobicContact CG2-CG1 4.36Å; I343-I347 WeakPolarHBondContact O-CG1 3.47Å; I343-I347 PolarHBondContact O-N 3.13Å
344	L	92.4	Very high	90.2	Very high	60 Å²	60	52.8 Å²	52.8	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-57.9	-45.3	176.6	-177.6	63.4	0	0	0	111.7	F340 I342 I346 I347 I348 I459	F340-L344 HydrophobicContact CE1-CD2 4.33Å; F340-L344 WeakPolarHBondContact O-CB 3.46Å; F340-L344 PolarHBondContact O-N 3.25Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 3.26Å; L344-I346 VanDerWaalsContact C-N 3.29Å; L344-I346 PolarHBondContact O-N 3.24Å; L344-I347 PolarHBondContact O-N 2.89Å; L344-I348 HydrophobicContact CD1-CD1 3.84Å; L344-I348 HydrophobicContact CD1-CG1 4.36Å; L344-I348 HydrophobicContact CG-CD1 3.87Å; L344-I348 WeakPolarHBondContact O-CB 3.49Å; L344-I348 WeakPolarHBondContact O-CG1 3.38Å; L344-I348 PolarHBondContact O-N 3.35Å; L344-I459 HydrophobicContact CD2-CG2 4.34Å
345	S	91.1	Very high	89.4	Confident	8 Å²	8	55.5 Å²	55.5	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-32.1	178.8	77	0	0	0	0	113.3	V341 I342 I343 F349	V341-S345 WeakPolarHBondContact O-CB 3.48Å; V341-S345 PolarHBondContact O-N 3.36Å; V341-S345 PolarHBondContact O-OG 3.08Å; I342-S345 PolarHBondContact O-N 2.97Å; I342-S345 PolarHBondContact O-OG 3.37Å; I343-S345 VanDerWaalsContact C-N 3.34Å; I343-S345 PolarHBondContact O-N 3.49Å; S345-F349 WeakPolarHBondContact O-CB 3.49Å; S345-F349 PolarHBondContact O-N 3.35Å; S345-F349 VanDerWaalsContact O-N 3.13Å
346	I	91.2	Very high	88.7	Confident	45 Å²	45	59 Å²	59	23%	0.231	33%	0.325	C	S	.	.	H	α-helix	trans	-74.4	-46.2	176.3	-65.4	163.4	0	0	0	110.4	I342 I343 L344 I348 F349 C350 I535	I342-I346 HydrophobicContact CG2-CD1 3.81Å; I342-I346 WeakPolarHBondContact O-CG1 3.28Å; I342-I346 PolarHBondContact O-N 3.24Å; I343-I346 PolarHBondContact O-N 2.88Å; L344-I346 VanDerWaalsContact C-N 3.29Å; L344-I346 PolarHBondContact O-N 3.24Å; I346-I348 VanDerWaalsContact C-N 3.3Å; I346-I348 PolarHBondContact O-N 2.95Å; I346-F349 PolarHBondContact O-N 3.22Å; I346-C350 PolarHBondContact O-N 2.95Å; I346-C350 PolarHBondContact O-SG 3.28Å; I346-I535 HydrophobicContact CD1-CB 4.14Å; I346-I535 HydrophobicContact CD1-CG1 3.99Å
347	I	91.4	Very high	87.7	Confident	90 Å²	90	58.3 Å²	58.3	46%	0.462	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-45.7	177.8	-70.2	169.5	0	0	0	110.3	I343 L344 C350 I351	I343-I347 HydrophobicContact CG2-CD1 3.7Å; I343-I347 HydrophobicContact CG2-CG1 4.36Å; I343-I347 WeakPolarHBondContact O-CG1 3.47Å; I343-I347 PolarHBondContact O-N 3.13Å; L344-I347 PolarHBondContact O-N 2.89Å; I347-C350 WeakPolarHBondContact O-CB 3.3Å; I347-C350 PolarHBondContact O-N 3.11Å; I347-I351 HydrophobicContact CG2-CD1 3.73Å; I347-I351 HydrophobicContact CG2-CG1 4.48Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.14Å; I347-I351 PolarHBondContact O-N 2.87Å
348	I	88	Confident	86.4	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.087	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-45.3	179.2	-74.3	171	0	0	0	111.7	L344 I346 C350 I351 E352 F456 I459	L344-I348 HydrophobicContact CD1-CD1 3.84Å; L344-I348 HydrophobicContact CD1-CG1 4.36Å; L344-I348 HydrophobicContact CG-CD1 3.87Å; L344-I348 WeakPolarHBondContact O-CB 3.49Å; L344-I348 WeakPolarHBondContact O-CG1 3.38Å; L344-I348 PolarHBondContact O-N 3.35Å; I346-I348 VanDerWaalsContact C-N 3.3Å; I346-I348 PolarHBondContact O-N 2.95Å; I348-C350 VanDerWaalsContact C-N 3.29Å; I348-C350 PolarHBondContact O-N 3.35Å; I348-I351 PolarHBondContact O-N 2.97Å; I348-I351 VanDerWaalsContact O-N 3.11Å; I348-E352 PolarHBondContact O-N 3.16Å; I348-F456 HydrophobicContact CG2-CD1 3.99Å; I348-I459 HydrophobicContact CD1-CB 3.79Å; I348-I459 HydrophobicContact CD1-CD1 3.91Å; I348-I459 HydrophobicContact CD1-CG1 4.43Å; I348-I459 HydrophobicContact CD1-CG2 3.23Å
349	F	86	Confident	84.7	Confident	39 Å²	39	66.8 Å²	66.8	17%	0.171	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-41.3	174.2	171.4	-102.5	0	0	0	112	S345 I346 T353 R531 V532	S345-F349 WeakPolarHBondContact O-CB 3.49Å; S345-F349 PolarHBondContact O-N 3.35Å; S345-F349 VanDerWaalsContact O-N 3.13Å; I346-F349 PolarHBondContact O-N 3.22Å; F349-T353 PolarHBondContact O-N 3.49Å; F349-R531 HydrophobicContact CD2-CB 4.04Å; F349-R531 HydrophobicContact CE2-CB 4Å; F349-V532 HydrophobicContact CE1-CG2 3.64Å; F349-V532 HydrophobicContact CZ-CG2 3.78Å
350	C	88.7	Confident	83	Confident	66 Å²	66	69 Å²	69	45%	0.446	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-42.3	174.3	-67.9	0	0	0	0	112.2	I346 I347 I348 T353	I346-C350 PolarHBondContact O-N 2.95Å; I346-C350 PolarHBondContact O-SG 3.28Å; I347-C350 WeakPolarHBondContact O-CB 3.3Å; I347-C350 PolarHBondContact O-N 3.11Å; I348-C350 VanDerWaalsContact C-N 3.29Å; I348-C350 PolarHBondContact O-N 3.35Å; C350-T353 PolarHBondContact O-N 3.22Å; C350-T353 PolarHBondContact O-OG1 3.44Å
351	I	87.9	Confident	81.1	Confident	54 Å²	54	67.9 Å²	67.9	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-39.6	178.9	-67.7	168	0	0	0	111.6	I347 I348 T353 L354 F357 F456	I347-I351 HydrophobicContact CG2-CD1 3.73Å; I347-I351 HydrophobicContact CG2-CG1 4.48Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.14Å; I347-I351 PolarHBondContact O-N 2.87Å; I348-I351 PolarHBondContact O-N 2.97Å; I348-I351 VanDerWaalsContact O-N 3.11Å; I351-T353 PolarHBondContact O-N 2.83Å; I351-T353 VanDerWaalsContact O-N 3.16Å; I351-L354 WeakPolarHBondContact O-CB 3.22Å; I351-L354 PolarHBondContact O-N 3.44Å; I351-F357 HydrophobicContact CG2-CD2 3.69Å; I351-F357 HydrophobicContact CG2-CE2 3.58Å; I351-F357 HydrophobicContact CG2-CG 4.26Å; I351-F357 HydrophobicContact CG2-CZ 4.06Å; I351-F456 HydrophobicContact CB-CE1 4.43Å; I351-F456 HydrophobicContact CG2-CE1 3.75Å; I351-F456 HydrophobicContact CG2-CZ 3.8Å
352	E	81.7	Confident	79.3	Confident	48 Å²	48	73 Å²	73	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-55.8	-29.4	175.1	-170.1	-166.7	157	0	0	112.1	I348 R528 R531	I348-E352 PolarHBondContact O-N 3.16Å; E352-R528 IonicContact OE1-NH1 2.63Å; E352-R528 PolarHBondContact OE1-NH1 3.14Å; E352-R531 IonicContact OE1-CZ 3.76Å; E352-R531 IonicContact OE1-NH1 2.73Å; E352-R531 PolarHBondContact OE1-NH1 3.28Å; E352-R531 IonicContact OE2-CZ 2.74Å; E352-R531 IonicContact OE2-NH1 3.23Å; E352-R531 PolarHBondContact OE2-NH1 2.88Å
353	T	81.6	Confident	77.7	Confident	90 Å²	90	73.7 Å²	73.7	55%	0.552	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.3	178.5	66.7	0	0	0	0	114.8	F349 C350 I351	F349-T353 PolarHBondContact O-N 3.49Å; C350-T353 PolarHBondContact O-N 3.22Å; C350-T353 PolarHBondContact O-OG1 3.44Å; I351-T353 PolarHBondContact O-N 2.83Å; I351-T353 VanDerWaalsContact O-N 3.16Å
354	L	82.5	Confident	76.2	Confident	83 Å²	83	73 Å²	73	44%	0.435	37%	0.372	S	S	.	.	S	Bend	trans	-73.7	134.6	-178.2	-68.2	171.3	0	0	0	111.1	I351 S356 F357	I351-L354 WeakPolarHBondContact O-CB 3.22Å; I351-L354 PolarHBondContact O-N 3.44Å; L354-S356 PolarHBondContact O-N 2.76Å; L354-S356 VanDerWaalsContact O-N 3.1Å; L354-F357 HydrophobicContact CB-CD2 4.11Å; L354-F357 HydrophobicContact CD1-CD2 4.45Å; L354-F357 HydrophobicContact CD1-CE2 4.32Å; L354-F357 PolarHBondContact O-N 3.46Å; L354-F357 VanDerWaalsContact O-N 3.11Å
355	P	77.6	Confident	74.9	Confident	86 Å²	86	70.9 Å²	70.9	56%	0.558	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-61.4	-26.3	-177.3	25.6	-34.8	0	0	0	112.9	F357 K358	P355-F357 PolarHBondContact O-N 3.42Å; P355-K358 PolarHBondContact O-N 2.85Å
356	S	76.9	Confident	73.3	Confident	85 Å²	85	74.5 Å²	74.5	59%	0.594	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16	178.2	-47.2	0	0	0	0	115	L354	L354-S356 PolarHBondContact O-N 2.76Å; L354-S356 VanDerWaalsContact O-N 3.1Å
357	F	73.3	Confident	71.7	Confident	97 Å²	97	76.7 Å²	76.7	43%	0.425	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-109.9	-4.8	177.3	-66.7	-79.2	0	0	0	113.1	I351 L354 P355 H359 F456	I351-F357 HydrophobicContact CG2-CD2 3.69Å; I351-F357 HydrophobicContact CG2-CE2 3.58Å; I351-F357 HydrophobicContact CG2-CG 4.26Å; I351-F357 HydrophobicContact CG2-CZ 4.06Å; L354-F357 HydrophobicContact CB-CD2 4.11Å; L354-F357 HydrophobicContact CD1-CD2 4.45Å; L354-F357 HydrophobicContact CD1-CE2 4.32Å; L354-F357 PolarHBondContact O-N 3.46Å; L354-F357 VanDerWaalsContact O-N 3.11Å; P355-F357 PolarHBondContact O-N 3.42Å; F357-H359 PolarHBondContact O-N 3.26Å; F357-F456 HydrophobicContact CB-CE2 4.03Å; F357-F456 HydrophobicContact CB-CZ 4.21Å; F357-F456 AromaticContact CD1-CE2 3.98Å; F357-F456 HydrophobicContact CD1-CE2 3.98Å; F357-F456 AromaticContact CD1-CZ 3.73Å; F357-F456 HydrophobicContact CD1-CZ 3.73Å; F357-F456 HydrophobicContact CE1-CZ 4.26Å; F357-F456 HydrophobicContact CG-CE2 4.21Å; F357-F456 AromaticContact CG-CZ 3.96Å; F357-F456 HydrophobicContact CG-CZ 3.96Å
358	K	65.6	Low	69.9	Low	90 Å²	90	76 Å²	76	39%	0.391	40%	0.398	S	S	.	.			trans	-74.8	114.2	170.7	-74.2	-169.4	162.1	-157.2	0	109.9	P355 Y360 E446	P355-K358 PolarHBondContact O-N 2.85Å; K358-Y360 HydrophobicContact CB-CE2 4.11Å; K358-Y360 PolarHBondContact O-N 3.39Å; K358-E446 IonicContact NZ-OE1 3.22Å; K358-E446 PolarHBondContact NZ-OE1 3.15Å
359	H	57.9	Low	68	Low	152 Å²	152	83.4 Å²	83.4	70%	0.704	44%	0.438	S	S	*	.			trans	-80.1	113.6	169.4	-79.6	-73.1	0	0	0	110.3	F357	F357-H359 PolarHBondContact O-N 3.26Å
360	Y	56.5	Low	66.3	Low	100 Å²	100	83.1 Å²	83.1	39%	0.392	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.6	168.5	-59.4	-76.9	0	0	0	109	K358 I444 E446	K358-Y360 HydrophobicContact CB-CE2 4.11Å; K358-Y360 PolarHBondContact O-N 3.39Å; Y360-I444 HydrophobicContact CD1-CG2 3.67Å; Y360-I444 HydrophobicContact CG-CG2 4.17Å; Y360-E446 HydrophobicContact CE1-CG 4.38Å
361	K	52.5	Low	64.3	Low	111 Å²	111	83.5 Å²	83.5	48%	0.483	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134	166.1	-97.2	-177.2	-165.2	135.9	0	109.1	I444 T445 D447	K361-I444 WeakPolarHBondContact O-CA 3.32Å; K361-T445 WeakPolarHBondContact CB-OG1 3.22Å; K361-T445 PolarHBondContact N-O 3.15Å; K361-T445 PolarHBondContact O-N 2.99Å; K361-T445 PolarHBondContact O-OG1 3.26Å; K361-D447 WeakPolarHBondContact CD-OD1 3.5Å; K361-D447 WeakPolarHBondContact CD-OD2 3.38Å; K361-D447 WeakPolarHBondContact CE-OD2 3.21Å; K361-D447 VanDerWaalsContact CG-OD2 3.3Å; K361-D447 WeakPolarHBondContact CG-OD2 3.4Å; K361-D447 IonicContact NZ-OD1 2.75Å; K361-D447 PolarHBondContact NZ-OD1 2.88Å; K361-D447 IonicContact NZ-OD2 3.53Å; K361-D447 PolarHBondContact NZ-OD2 3.13Å
362	F	57.4	Low	62.2	Low	132 Å²	132	86.5 Å²	86.5	58%	0.579	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	104.3	174.4	-61.6	-68	0	0	0	109	L442 I444	F362-L442 HydrophobicContact CB-CD1 3.95Å; F362-L442 HydrophobicContact CB-CG 4.19Å; F362-L442 HydrophobicContact CD1-CD1 4.41Å; F362-L442 HydrophobicContact CD1-CD2 3.47Å; F362-L442 VanDerWaalsContact CD1-CD2 3.47Å; F362-L442 HydrophobicContact CD1-CG 3.87Å; F362-L442 HydrophobicContact CE1-CD2 3.95Å; F362-L442 HydrophobicContact CG-CD1 4.49Å; F362-L442 HydrophobicContact CG-CD2 4.25Å; F362-L442 HydrophobicContact CG-CG 4.42Å; F362-I444 HydrophobicContact CD1-CG1 4.06Å; F362-I444 HydrophobicContact CE1-CD1 4.28Å; F362-I444 HydrophobicContact CE1-CG1 4.03Å
363	V	59.4	Low	60.5	Low	13 Å²	13	89.4 Å²	89.4	8%	0.079	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.9	175.5	178	0	0	0	0	108.6	F415 L443 T445	V363-F415 HydrophobicContact CB-CD1 4.5Å; V363-F415 HydrophobicContact CB-CE1 4.12Å; V363-F415 HydrophobicContact CB-CZ 4.44Å; V363-F415 HydrophobicContact CG1-CD1 4.03Å; V363-F415 HydrophobicContact CG1-CD2 4.35Å; V363-F415 HydrophobicContact CG1-CE1 3.46Å; V363-F415 VanDerWaalsContact CG1-CE1 3.46Å; V363-F415 HydrophobicContact CG1-CE2 3.79Å; V363-F415 HydrophobicContact CG1-CG 4.47Å; V363-F415 HydrophobicContact CG1-CZ 3.33Å; V363-F415 HydrophobicContact CG2-CD1 3.64Å; V363-F415 HydrophobicContact CG2-CE1 3.48Å; V363-F415 VanDerWaalsContact CG2-CE1 3.48Å; V363-F415 HydrophobicContact CG2-CZ 4.27Å; V363-L443 HydrophobicContact CB-CB 4.04Å; V363-L443 PolarHBondContact N-O 3.4Å; V363-L443 PolarHBondContact O-N 3.15Å; V363-T445 HydrophobicContact CG2-CG2 4.2Å
364	N	61.7	Low	58.4	Low	67 Å²	67	90.6 Å²	90.6	36%	0.358	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	109.5	175.3	-175.8	-6.4	0	0	0	110.4	S366 S367 C441	N364-S366 PolarHBondContact ND2-OG 2.64Å; N364-S366 VanDerWaalsContact ND2-OG 3.14Å; N364-S366 PolarHBondContact O-N 2.82Å; N364-S366 WeakPolarHBondContact OD1-CB 3.21Å; N364-S366 PolarHBondContact OD1-N 3.46Å; N364-S366 PolarHBondContact OD1-OG 2.84Å; N364-S367 WeakPolarHBondContact O-CB 3.34Å; N364-S367 PolarHBondContact O-N 2.94Å; N364-C441 WeakPolarHBondContact CA-O 3.41Å
365	L	63.1	Low	56.1	Low	15 Å²	15	93.7 Å²	93.7	8%	0.079	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-65.2	-23.4	-179.2	-68.9	87.6	0	0	0	113	S367 Y368 L425 T428 I429 C441 L443	L365-S367 PolarHBondContact O-N 3.01Å; L365-Y368 PolarHBondContact O-N 2.79Å; L365-Y368 VanDerWaalsContact O-N 3.12Å; L365-L425 HydrophobicContact CD2-CD1 4.48Å; L365-T428 HydrophobicContact CD2-CG2 4.5Å; L365-I429 HydrophobicContact CD2-CG1 3.56Å; L365-C441 WeakPolarHBondContact CD1-O 3.37Å; L365-C441 PolarHBondContact N-O 3.08Å; L365-L443 HydrophobicContact CD1-CB 4.01Å; L365-L443 HydrophobicContact CD1-CD1 3.75Å; L365-L443 HydrophobicContact CD1-CG 3.77Å; L365-L443 HydrophobicContact CD2-CD1 4.1Å; L365-L443 HydrophobicContact CG-CD1 4.18Å
366	S	59.1	Low	54.1	Low	84 Å²	84	95.3 Å²	95.3	59%	0.587	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13	177.3	69.7	0	0	0	0	113.8	N364 Y368	N364-S366 PolarHBondContact ND2-OG 2.64Å; N364-S366 VanDerWaalsContact ND2-OG 3.14Å; N364-S366 PolarHBondContact O-N 2.82Å; N364-S366 WeakPolarHBondContact OD1-CB 3.21Å; N364-S366 PolarHBondContact OD1-N 3.46Å; N364-S366 PolarHBondContact OD1-OG 2.84Å; S366-Y368 PolarHBondContact O-N 2.92Å
367	S	57.8	Low	52	Low	91 Å²	91	99.4 Å²	99.4	64%	0.636	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-74.2	-10.9	171.8	-57.6	0	0	0	0	113.6	N364 L365	N364-S367 WeakPolarHBondContact O-CB 3.34Å; N364-S367 PolarHBondContact O-N 2.94Å; L365-S367 PolarHBondContact O-N 3.01Å
368	Y	53.3	Low	50.3	Low	76 Å²	76	100.2 Å²	100.2	30%	0.298	55%	0.549	S	S	.	.	S	Bend	trans	-92.7	121.9	176	-79.9	-96.9	0	0	0	111.7	L365 S366 I370 L411 F415	L365-Y368 PolarHBondContact O-N 2.79Å; L365-Y368 VanDerWaalsContact O-N 3.12Å; S366-Y368 PolarHBondContact O-N 2.92Å; Y368-I370 PolarHBondContact O-N 3.37Å; Y368-L411 HydrophobicContact CD1-CD1 3.63Å; Y368-L411 HydrophobicContact CD1-CG 4.19Å; Y368-L411 HydrophobicContact CE1-CD1 4.09Å; Y368-L411 HydrophobicContact CE1-CG 4.13Å; Y368-L411 HydrophobicContact CG-CD1 3.93Å; Y368-F415 HydrophobicContact CD2-CE2 4.47Å; Y368-F415 AromaticContact CE2-CE2 3.45Å; Y368-F415 HydrophobicContact CE2-CE2 3.45Å; Y368-F415 VanDerWaalsContact CE2-CE2 3.45Å; Y368-F415 AromaticContact CE2-CZ 3.63Å; Y368-F415 HydrophobicContact CE2-CZ 3.63Å; Y368-F415 AromaticContact CZ-CE2 3.48Å; Y368-F415 VanDerWaalsContact CZ-CE2 3.48Å; Y368-F415 AromaticContact CZ-CZ 3.86Å; Y368-F415 WeakPolarHBondContact OH-CE2 3.23Å; Y368-F415 WeakPolarHBondContact OH-CZ 3.37Å
369	N	46.9	Very low	48.8	Very low	172 Å²	172	101.6 Å²	101.6	92%	0.92	57%	0.57	S	S	*	*			trans	-69.8	69.8	172.2	-86.2	-32.3	0	0	0	111.5
370	I	51.9	Low	47.9	Very low	33 Å²	33	100.2 Å²	100.2	17%	0.169	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-76.6	119.3	167.5	-55.1	175.2	0	0	0	107	Y368 I429 K433	Y368-I370 PolarHBondContact O-N 3.37Å; I370-I429 HydrophobicContact CD1-CD1 4.43Å; I370-I429 HydrophobicContact CD1-CG2 3.72Å; I370-K433 PolarHBondContact O-NZ 3.46Å
371	P	45.2	Very low	46.9	Very low	74 Å²	74	101 Å²	101	48%	0.481	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-57.2	152	-178.8	22.1	-32.3	0	0	0	112	I373 K433	P371-I373 PolarHBondContact O-N 2.8Å; P371-K433 PolarHBondContact O-NZ 3.31Å
372	P	44.5	Very low	46.2	Very low	117 Å²	117	101 Å²	101	76%	0.76	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-66.4	128.8	179.7	27	-33.4	0	0	0	110.7	S374	P372-S374 PolarHBondContact O-N 2.97Å; P372-S374 VanDerWaalsContact O-N 3.16Å
373	I	45	Very low	45.2	Very low	110 Å²	110	99.5 Å²	99.5	56%	0.564	62%	0.617	S	S	*	*			trans	-72.3	106.4	172.8	-61.6	171.5	0	0	0	107.6	P371 L375	P371-I373 PolarHBondContact O-N 2.8Å; I373-L375 PolarHBondContact O-N 3.21Å
374	S	37.8	Very low	44.1	Very low	114 Å²	114	103.8 Å²	103.8	80%	0.797	65%	0.648	S	S	*	*			trans	-81.4	92.8	173.6	44.8	0	0	0	0	110.7	P372	P372-S374 PolarHBondContact O-N 2.97Å; P372-S374 VanDerWaalsContact O-N 3.16Å
375	L	35.4	Very low	42.9	Very low	149 Å²	149	107.5 Å²	107.5	78%	0.78	67%	0.673	S	S	*	*			trans	-65.8	127.6	164.7	-86.3	152.4	0	0	0	109.7	I373 L377	I373-L375 PolarHBondContact O-N 3.21Å; L375-L377 PolarHBondContact O-N 2.87Å; L375-L377 VanDerWaalsContact O-N 3.08Å
376	P	34.8	Very low	41.5	Very low	119 Å²	119	112.4 Å²	112.4	77%	0.773	71%	0.709	S	S	*	*			trans	-75	100.4	178.5	29.5	-33	0	0	0	110.4	S378	P376-S378 PolarHBondContact O-N 3.42Å; P376-S378 VanDerWaalsContact O-N 3.17Å
377	L	33.7	Very low	40.9	Very low	171 Å²	171	113.9 Å²	113.9	90%	0.895	72%	0.716	S	S	*	*			trans	-83.1	85.8	175.9	-156.6	82.5	0	0	0	110.4	L375 S379	L375-L377 PolarHBondContact O-N 2.87Å; L375-L377 VanDerWaalsContact O-N 3.08Å; L377-S379 PolarHBondContact O-N 3.31Å
378	S	36.9	Very low	40.1	Very low	114 Å²	114	114.8 Å²	114.8	80%	0.797	72%	0.72	S	S	*	*			trans	-73.7	109.5	173.5	57.1	0	0	0	0	110.8	P376	P376-S378 PolarHBondContact O-N 3.42Å; P376-S378 VanDerWaalsContact O-N 3.17Å
379	S	33.7	Very low	39.2	Very low	119 Å²	119	117.6 Å²	117.6	83%	0.832	75%	0.748	S	S	*	*			trans	-77.5	127.9	177.2	44.1	0	0	0	0	112.2	L377	L377-S379 PolarHBondContact O-N 3.31Å
380	S	38.3	Very low	38.6	Very low	123 Å²	123	114.8 Å²	114.8	86%	0.86	74%	0.741	S	S	*	*			trans	-147	121.7	155	58	0	0	0	0	110.1
381	S	36.7	Very low	37.8	Very low	118 Å²	118	118.1 Å²	118.1	83%	0.825	77%	0.767	S	S	*	*			trans	-95.8	129.8	-175.7	51.4	0	0	0	0	111.5
382	S	38.3	Very low	37.3	Very low	110 Å²	110	123 Å²	123	77%	0.769	79%	0.788	S	S	*	*			trans	-177	121.3	138.9	53.4	0	0	0	0	113.8
383	S	35.8	Very low	36.8	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	78%	0.779	S	S	*	*			trans	48.6	105.4	140.7	61.7	0	0	0	0	121.5
384	S	35.5	Very low	36.2	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	78%	0.783	S	S	*	*				49.5	101.4	126.7	63.9	0	0	0	0	120.4
385	T	36.7	Very low	35.9	Very low	145 Å²	145	122.8 Å²	122.8	89%	0.89	78%	0.784	S	S	*	*				-173.1	147.2	105	20.2	0	0	0	0	110.1
386	S	34.1	Very low	35.8	Very low	118 Å²	118	124.5 Å²	124.5	83%	0.825	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-94	130.1	-170	51.1	0	0	0	0	113.9
387	P	46.7	Very low	35.6	Very low	115 Å²	115	122.6 Å²	122.6	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-98.8	160.9	155.1	16.2	2.8	0	0	0	112
388	P	40.3	Very low	35.6	Very low	111 Å²	111	120.4 Å²	120.4	72%	0.721	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.4	164.6	-171.7	33.4	-36.8	0	0	0	114.4	S390	P388-S390 PolarHBondContact O-N 3.03Å
389	P	34.3	Very low	35.4	Very low	135 Å²	135	120.5 Å²	120.5	88%	0.877	77%	0.769	S	S	*	*	S	Bend	trans	-84.2	106	-173.3	32.8	-34	0	0	0	113
390	S	34.7	Very low	35.4	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	77%	0.767	S	S	*	*			trans	-151.6	39.6	169.3	55.2	0	0	0	0	114	P388	P388-S390 PolarHBondContact O-N 3.03Å
391	S	34.9	Very low	35.3	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	76%	0.755	S	S	*	*			trans	-159.9	107	169.3	56.6	0	0	0	0	111.2	P393	S391-P393 WeakPolarHBondContact O-CD 3.35Å
392	I	35	Very low	35	Very low	177 Å²	177	122.6 Å²	122.6	91%	0.908	75%	0.751	S	S	*	*			trans	-97.6	103.3	162.1	-62	176	0	0	0	106.4
393	P	34.7	Very low	34.9	Very low	89 Å²	89	120 Å²	120	58%	0.578	73%	0.728	S	S	*	*			trans	-87	122.9	-177.6	-2.6	22.9	0	0	0	110.4	S391 L395	S391-P393 WeakPolarHBondContact O-CD 3.35Å; P393-L395 PolarHBondContact O-N 3Å
394	S	31.1	Very low	34.8	Very low	92 Å²	92	121 Å²	121	64%	0.643	73%	0.73	S	S	*	*			trans	27.1	67.9	132.4	60.7	0	0	0	0	117.8	S397	S394-S397 PolarHBondContact O-OG 3.17Å
395	L	32.9	Very low	35	Very low	156 Å²	156	120.1 Å²	120.1	82%	0.817	72%	0.724	S	S	*	*	S	Bend	trans	-80.7	-4.8	165.4	-86	169.4	0	0	0	113.2	P393 S397	P393-L395 PolarHBondContact O-N 3Å; L395-S397 PolarHBondContact O-N 3.09Å; L395-S397 VanDerWaalsContact O-N 3.16Å
396	L	32	Very low	35.4	Very low	185 Å²	185	115.6 Å²	115.6	97%	0.969	69%	0.693	S	S	*	*	S	Bend	trans	-79.3	22.7	176.7	-78.7	157.1	0	0	0	113.9
397	S	32.1	Very low	35.9	Very low	79 Å²	79	114.5 Å²	114.5	55%	0.552	68%	0.679	S	S	*	*			trans	-138.2	53	-175.9	65.7	0	0	0	0	113.9	S394 L395 P399	S394-S397 PolarHBondContact O-OG 3.17Å; L395-S397 PolarHBondContact O-N 3.09Å; L395-S397 VanDerWaalsContact O-N 3.16Å; S397-P399 WeakPolarHBondContact O-CD 3.36Å
398	L	33	Very low	36	Very low	125 Å²	125	112.4 Å²	112.4	65%	0.654	66%	0.664	S	S	*	*			trans	-111.6	90.1	161.1	-86.1	86.2	0	0	0	110.3	N400	L398-N400 VanDerWaalsContact C-N 3.27Å; L398-N400 PolarHBondContact O-N 2.96Å
399	P	32.9	Very low	36.2	Very low	116 Å²	116	112.1 Å²	112.1	75%	0.753	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	14.5	-172.5	33.3	-36.9	0	0	0	115.2	S397	S397-P399 WeakPolarHBondContact O-CD 3.36Å
400	N	33.1	Very low	36.9	Very low	148 Å²	148	110.7 Å²	110.7	79%	0.791	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.6	33.3	-166.5	-77.3	-52.1	0	0	0	115.6	L398 N402	L398-N400 VanDerWaalsContact C-N 3.27Å; L398-N400 PolarHBondContact O-N 2.96Å; N400-N402 PolarHBondContact O-N 3.41Å; N400-N402 VanDerWaalsContact O-N 3.13Å
401	L	36.3	Very low	37.5	Very low	116 Å²	116	106.4 Å²	106.4	61%	0.607	61%	0.606	S	S	*	*			trans	-82.5	85.2	169.7	-100.6	159.6	0	0	0	110.8	I403	L401-I403 VanDerWaalsContact C-N 3.25Å; L401-I403 HydrophobicContact CB-CG1 4.35Å; L401-I403 HydrophobicContact CD2-CD1 4.22Å; L401-I403 HydrophobicContact CD2-CG1 4.08Å; L401-I403 PolarHBondContact O-N 2.83Å
402	N	30.6	Very low	38.2	Very low	139 Å²	139	104.6 Å²	104.6	74%	0.743	59%	0.588	S	S	*	*			trans	-75.9	69	-179.2	-158.9	17.7	0	0	0	111.6	N400 T404	N400-N402 PolarHBondContact O-N 3.41Å; N400-N402 VanDerWaalsContact O-N 3.13Å; N402-T404 VanDerWaalsContact C-N 3.28Å; N402-T404 PolarHBondContact O-N 3.47Å; N402-T404 WeakPolarHBondContact OD1-CG2 3.41Å
403	I	37.1	Very low	38.9	Very low	56 Å²	56	101.5 Å²	101.5	29%	0.287	57%	0.573	S	S	.	*			trans	-82.6	70.9	-178.4	-49.4	178.9	0	0	0	110.2	L401 S405 I406 F426	L401-I403 VanDerWaalsContact C-N 3.25Å; L401-I403 HydrophobicContact CB-CG1 4.35Å; L401-I403 HydrophobicContact CD2-CD1 4.22Å; L401-I403 HydrophobicContact CD2-CG1 4.08Å; L401-I403 PolarHBondContact O-N 2.83Å; I403-S405 PolarHBondContact O-N 2.63Å; I403-I406 HydrophobicContact CG2-CD1 3.91Å; I403-I406 HydrophobicContact CG2-CG1 3.85Å; I403-F426 HydrophobicContact CD1-CE2 4.48Å
404	T	33.8	Very low	39.4	Very low	121 Å²	121	101.3 Å²	101.3	74%	0.742	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	33.4	178.1	58.2	0	0	0	0	113.7	N402	N402-T404 VanDerWaalsContact C-N 3.28Å; N402-T404 PolarHBondContact O-N 3.47Å; N402-T404 WeakPolarHBondContact OD1-CG2 3.41Å
405	S	38.3	Very low	40.2	Very low	84 Å²	84	99.6 Å²	99.6	59%	0.587	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	-3.3	-175.5	66.3	0	0	0	0	115.5	I403	I403-S405 PolarHBondContact O-N 2.63Å
406	I	46.5	Very low	40.8	Very low	50 Å²	50	96.5 Å²	96.5	26%	0.256	53%	0.532	S	S	.	.			trans	-86.9	116	164.5	-58.6	172.8	0	0	0	106.3	I403 T408	I403-I406 HydrophobicContact CG2-CD1 3.91Å; I403-I406 HydrophobicContact CG2-CG1 3.85Å; I406-T408 HydrophobicContact CB-CG2 4.1Å; I406-T408 HydrophobicContact CG2-CG2 3.61Å; I406-T408 PolarHBondContact O-N 2.88Å
407	N	44	Very low	41.6	Very low	96 Å²	96	89 Å²	89	51%	0.513	49%	0.493	S	S	.	.			trans	-74.2	67	171.1	-153.5	13.7	0	0	0	108.3	N409 Q410 L411	N407-N409 PolarHBondContact O-N 2.98Å; N407-Q410 HydrophobicContact CB-CB 4.05Å; N407-Q410 PolarHBondContact ND2-OE1 3.38Å; N407-Q410 WeakPolarHBondContact O-CA 3.39Å; N407-Q410 VanDerWaalsContact O-CB 3.31Å; N407-Q410 WeakPolarHBondContact O-CB 3.47Å; N407-Q410 PolarHBondContact O-N 3.45Å; N407-L411 PolarHBondContact O-N 2.88Å
408	T	48.5	Very low	42.3	Very low	71 Å²	71	89.4 Å²	89.4	44%	0.436	50%	0.496	S	S	.	.	H	α-helix	trans	-54.7	-38.7	-176.7	46.9	0	0	0	0	110.7	I406 Q410 L411 I412	I406-T408 HydrophobicContact CB-CG2 4.1Å; I406-T408 HydrophobicContact CG2-CG2 3.61Å; I406-T408 PolarHBondContact O-N 2.88Å; T408-Q410 VanDerWaalsContact C-N 3.25Å; T408-Q410 PolarHBondContact O-N 3.39Å; T408-L411 PolarHBondContact O-N 2.72Å; T408-I412 WeakPolarHBondContact O-CB 3.09Å; T408-I412 WeakPolarHBondContact O-CD1 3.33Å; T408-I412 WeakPolarHBondContact O-CG1 3.3Å; T408-I412 PolarHBondContact O-N 3.01Å
409	N	44.2	Very low	43.1	Very low	105 Å²	105	85.5 Å²	85.5	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-52.8	-40.2	171.7	-62.8	-27.1	0	0	0	112.6	N407 N413	N407-N409 PolarHBondContact O-N 2.98Å; N409-N413 WeakPolarHBondContact O-CB 3.49Å; N409-N413 PolarHBondContact O-N 3.17Å; N409-N413 PolarHBondContact O-ND2 3.43Å; N409-N413 PolarHBondContact O-OD1 2.84Å
410	Q	48.5	Very low	43.7	Very low	105 Å²	105	89.1 Å²	89.1	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-71.1	-43.8	178.1	-169.9	170.6	-0.3	0	0	111.6	N407 T408 I412 N413 D414	N407-Q410 HydrophobicContact CB-CB 4.05Å; N407-Q410 PolarHBondContact ND2-OE1 3.38Å; N407-Q410 WeakPolarHBondContact O-CA 3.39Å; N407-Q410 VanDerWaalsContact O-CB 3.31Å; N407-Q410 WeakPolarHBondContact O-CB 3.47Å; N407-Q410 PolarHBondContact O-N 3.45Å; T408-Q410 VanDerWaalsContact C-N 3.25Å; T408-Q410 PolarHBondContact O-N 3.39Å; Q410-I412 VanDerWaalsContact C-N 3.3Å; Q410-I412 PolarHBondContact O-N 3.06Å; Q410-N413 PolarHBondContact O-N 3.2Å; Q410-D414 VanDerWaalsContact O-CB 3.28Å; Q410-D414 WeakPolarHBondContact O-CB 3.31Å; Q410-D414 PolarHBondContact O-N 2.82Å
411	L	48.1	Very low	44.5	Very low	21 Å²	21	85.4 Å²	85.4	11%	0.11	46%	0.462	C	S	.	.	H	α-helix	trans	-70.8	-26.4	179.2	-145	148.7	0	0	0	112.6	Y368 N407 T408 F415	Y368-L411 HydrophobicContact CD1-CD1 3.63Å; Y368-L411 HydrophobicContact CD1-CG 4.19Å; Y368-L411 HydrophobicContact CE1-CD1 4.09Å; Y368-L411 HydrophobicContact CE1-CG 4.13Å; Y368-L411 HydrophobicContact CG-CD1 3.93Å; N407-L411 PolarHBondContact O-N 2.88Å; T408-L411 PolarHBondContact O-N 2.72Å; L411-F415 HydrophobicContact CD2-CD2 4.11Å; L411-F415 HydrophobicContact CD2-CE2 4.38Å; L411-F415 WeakPolarHBondContact O-CD2 3.45Å
412	I	50.1	Low	45.3	Very low	66 Å²	66	85 Å²	85	34%	0.338	47%	0.465	S	S	.	.	H	α-helix	trans	-75.1	-45.4	171.2	-69.2	164.5	0	0	0	110.6	T408 Q410 N416	T408-I412 WeakPolarHBondContact O-CB 3.09Å; T408-I412 WeakPolarHBondContact O-CD1 3.33Å; T408-I412 WeakPolarHBondContact O-CG1 3.3Å; T408-I412 PolarHBondContact O-N 3.01Å; Q410-I412 VanDerWaalsContact C-N 3.3Å; Q410-I412 PolarHBondContact O-N 3.06Å; I412-N416 PolarHBondContact O-N 2.96Å
413	N	48.8	Very low	46.6	Very low	111 Å²	111	85 Å²	85	59%	0.594	46%	0.46	S	S	*	.	H	α-helix	trans	-66.2	-39.2	178.5	-70.7	-10.6	0	0	0	112.7	N409 Q410 F415	N409-N413 WeakPolarHBondContact O-CB 3.49Å; N409-N413 PolarHBondContact O-N 3.17Å; N409-N413 PolarHBondContact O-ND2 3.43Å; N409-N413 PolarHBondContact O-OD1 2.84Å; Q410-N413 PolarHBondContact O-N 3.2Å; N413-F415 PolarHBondContact O-N 3.08Å
414	D	46.2	Very low	47.5	Very low	86 Å²	86	85.6 Å²	85.6	46%	0.46	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.9	-176.6	-73.5	-14.1	0	0	0	113	Q410	Q410-D414 VanDerWaalsContact O-CB 3.28Å; Q410-D414 WeakPolarHBondContact O-CB 3.31Å; Q410-D414 PolarHBondContact O-N 2.82Å
415	F	47.6	Very low	48.7	Very low	55 Å²	55	80.8 Å²	80.8	24%	0.241	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-6.8	-170.9	-75	-58.8	0	0	0	117.4	V363 Y368 L411 N413 L417	V363-F415 HydrophobicContact CB-CD1 4.5Å; V363-F415 HydrophobicContact CB-CE1 4.12Å; V363-F415 HydrophobicContact CB-CZ 4.44Å; V363-F415 HydrophobicContact CG1-CD1 4.03Å; V363-F415 HydrophobicContact CG1-CD2 4.35Å; V363-F415 HydrophobicContact CG1-CE1 3.46Å; V363-F415 VanDerWaalsContact CG1-CE1 3.46Å; V363-F415 HydrophobicContact CG1-CE2 3.79Å; V363-F415 HydrophobicContact CG1-CG 4.47Å; V363-F415 HydrophobicContact CG1-CZ 3.33Å; V363-F415 HydrophobicContact CG2-CD1 3.64Å; V363-F415 HydrophobicContact CG2-CE1 3.48Å; V363-F415 VanDerWaalsContact CG2-CE1 3.48Å; V363-F415 HydrophobicContact CG2-CZ 4.27Å; Y368-F415 HydrophobicContact CD2-CE2 4.47Å; Y368-F415 AromaticContact CE2-CE2 3.45Å; Y368-F415 HydrophobicContact CE2-CE2 3.45Å; Y368-F415 VanDerWaalsContact CE2-CE2 3.45Å; Y368-F415 AromaticContact CE2-CZ 3.63Å; Y368-F415 HydrophobicContact CE2-CZ 3.63Å; Y368-F415 AromaticContact CZ-CE2 3.48Å; Y368-F415 VanDerWaalsContact CZ-CE2 3.48Å; Y368-F415 AromaticContact CZ-CZ 3.86Å; Y368-F415 WeakPolarHBondContact OH-CE2 3.23Å; Y368-F415 WeakPolarHBondContact OH-CZ 3.37Å; L411-F415 HydrophobicContact CD2-CD2 4.11Å; L411-F415 HydrophobicContact CD2-CE2 4.38Å; L411-F415 WeakPolarHBondContact O-CD2 3.45Å; N413-F415 PolarHBondContact O-N 3.08Å; F415-L417 HydrophobicContact CB-CB 3.82Å; F415-L417 HydrophobicContact CB-CD1 3.96Å; F415-L417 HydrophobicContact CB-CD2 4.39Å; F415-L417 HydrophobicContact CB-CG 4.27Å; F415-L417 WeakPolarHBondContact O-CA 3.38Å; F415-L417 PolarHBondContact O-N 3.32Å
416	N	45.3	Very low	49.8	Very low	91 Å²	91	81.4 Å²	81.4	49%	0.487	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	42.9	-173.9	-89.5	-40	0	0	0	111.6	I412 S418 Q517	I412-N416 PolarHBondContact O-N 2.96Å; N416-S418 PolarHBondContact O-N 3.05Å; N416-Q517 PolarHBondContact OD1-NE2 3.06Å; N416-Q517 VanDerWaalsContact OD1-NE2 3.14Å
417	L	49.6	Very low	50.7	Low	27 Å²	27	84 Å²	84	14%	0.141	44%	0.439	C	S	.	.			trans	-78.4	111.8	-151.5	-165.8	61.6	0	0	0	109.6	F415 I419 L425 L443 T445	F415-L417 HydrophobicContact CB-CB 3.82Å; F415-L417 HydrophobicContact CB-CD1 3.96Å; F415-L417 HydrophobicContact CB-CD2 4.39Å; F415-L417 HydrophobicContact CB-CG 4.27Å; F415-L417 WeakPolarHBondContact O-CA 3.38Å; F415-L417 PolarHBondContact O-N 3.32Å; L417-I419 HydrophobicContact CD1-CD1 4.35Å; L417-I419 HydrophobicContact CD2-CD1 3.46Å; L417-I419 VanDerWaalsContact CD2-CD1 3.46Å; L417-I419 HydrophobicContact CD2-CG1 4.21Å; L417-I419 HydrophobicContact CG-CB 4.44Å; L417-I419 HydrophobicContact CG-CD1 3.67Å; L417-I419 HydrophobicContact CG-CG1 3.87Å; L417-I419 PolarHBondContact O-N 2.9Å; L417-L425 HydrophobicContact CD2-CD1 4.05Å; L417-L425 HydrophobicContact CD2-CD2 4.32Å; L417-L443 HydrophobicContact CD1-CD1 4.16Å; L417-L443 HydrophobicContact CD2-CD1 4.01Å; L417-T445 HydrophobicContact CD1-CG2 3.43Å; L417-T445 VanDerWaalsContact CD1-CG2 3.43Å
418	S	45.4	Very low	51.4	Low	88 Å²	88	81.5 Å²	81.5	62%	0.615	43%	0.428	S	S	*	.			trans	-71.7	44.5	179.1	179.3	0	0	0	0	113.1	N416	N416-S418 PolarHBondContact O-N 3.05Å
419	I	49.6	Very low	52	Low	44 Å²	44	79.4 Å²	79.4	23%	0.226	41%	0.413	C	S	.	.			trans	-86.7	127.8	169.3	-71.2	174.6	0	0	0	108.2	L417 T421 D424 L425 L443	L417-I419 HydrophobicContact CD1-CD1 4.35Å; L417-I419 HydrophobicContact CD2-CD1 3.46Å; L417-I419 VanDerWaalsContact CD2-CD1 3.46Å; L417-I419 HydrophobicContact CD2-CG1 4.21Å; L417-I419 HydrophobicContact CG-CB 4.44Å; L417-I419 HydrophobicContact CG-CD1 3.67Å; L417-I419 HydrophobicContact CG-CG1 3.87Å; L417-I419 PolarHBondContact O-N 2.9Å; I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 VanDerWaalsContact CG2-O 3.29Å; I419-T421 WeakPolarHBondContact CG2-O 3.29Å; I419-T421 PolarHBondContact O-N 3.49Å; I419-D424 HydrophobicContact CG2-CB 3.61Å; I419-L425 HydrophobicContact CD1-CB 3.98Å; I419-L425 HydrophobicContact CD1-CD1 3.77Å; I419-L425 HydrophobicContact CD1-CG 4.37Å; I419-L425 HydrophobicContact CG2-CB 4.1Å; I419-L443 HydrophobicContact CD1-CD1 3.76Å; I419-L443 HydrophobicContact CD1-CD2 3.72Å; I419-L443 HydrophobicContact CD1-CG 4.42Å; I419-L443 HydrophobicContact CG1-CD2 4.23Å
420	K	46	Very low	53	Low	192 Å²	192	76.9 Å²	76.9	84%	0.835	40%	0.399	S	S	*	.	S	Bend	trans	-75.4	-16.7	-164.8	-68.1	174.8	179.8	172.6	0	113.6
421	T	50.7	Low	53.6	Low	70 Å²	70	74.9 Å²	74.9	43%	0.429	39%	0.392	S	S	.	.			trans	-151.5	142.8	179.8	-12.8	0	0	0	0	110.3	I419 E423 D424	I419-T421 VanDerWaalsContact C-N 3.27Å; I419-T421 VanDerWaalsContact CG2-O 3.29Å; I419-T421 WeakPolarHBondContact CG2-O 3.29Å; I419-T421 PolarHBondContact O-N 3.49Å; T421-E423 PolarHBondContact O-N 3.5Å; T421-E423 VanDerWaalsContact O-N 3.13Å; T421-D424 VanDerWaalsContact CB-OD2 3.3Å; T421-D424 WeakPolarHBondContact CB-OD2 3.49Å; T421-D424 PolarHBondContact N-OD2 2.95Å; T421-D424 VanDerWaalsContact N-OD2 3.17Å; T421-D424 WeakPolarHBondContact O-CB 3.45Å; T421-D424 PolarHBondContact O-N 3.36Å; T421-D424 PolarHBondContact OG1-OD2 2.88Å
422	T	53	Low	54.2	Low	108 Å²	108	74.4 Å²	74.4	66%	0.663	39%	0.391	S	S	*	.	H	α-helix	trans	-57.7	-26.1	173.4	36.9	0	0	0	0	113	F426	T422-F426 PolarHBondContact O-N 3.47Å
423	E	57.3	Low	54.7	Low	139 Å²	139	76.2 Å²	76.2	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-68.4	-38.1	175	-57.4	-163.7	158.7	0	0	112.7	T421 L425 F426 L427	T421-E423 PolarHBondContact O-N 3.5Å; T421-E423 VanDerWaalsContact O-N 3.13Å; E423-L425 VanDerWaalsContact C-N 3.35Å; E423-L425 PolarHBondContact O-N 3.07Å; E423-F426 PolarHBondContact O-N 2.89Å; E423-L427 WeakPolarHBondContact O-CB 3.46Å; E423-L427 WeakPolarHBondContact O-CG 3.46Å; E423-L427 PolarHBondContact O-N 3.02Å
424	D	56.1	Low	55.1	Low	68 Å²	68	77.9 Å²	77.9	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-41	178.5	-60.8	-44.7	0	0	0	111.2	I419 T421 T428	I419-D424 HydrophobicContact CG2-CB 3.61Å; T421-D424 VanDerWaalsContact CB-OD2 3.3Å; T421-D424 WeakPolarHBondContact CB-OD2 3.49Å; T421-D424 PolarHBondContact N-OD2 2.95Å; T421-D424 VanDerWaalsContact N-OD2 3.17Å; T421-D424 WeakPolarHBondContact O-CB 3.45Å; T421-D424 PolarHBondContact O-N 3.36Å; T421-D424 PolarHBondContact OG1-OD2 2.88Å; D424-T428 WeakPolarHBondContact O-CB 3.32Å; D424-T428 PolarHBondContact O-N 3.46Å; D424-T428 PolarHBondContact O-OG1 3.35Å
425	L	59.9	Low	55.6	Low	20 Å²	20	81.8 Å²	81.8	11%	0.105	41%	0.41	C	S	.	.	H	α-helix	trans	-65	-41.8	175.1	176.8	59	0	0	0	110.8	L365 L417 I419 E423 T428 I429 L443	L365-L425 HydrophobicContact CD2-CD1 4.48Å; L417-L425 HydrophobicContact CD2-CD1 4.05Å; L417-L425 HydrophobicContact CD2-CD2 4.32Å; I419-L425 HydrophobicContact CD1-CB 3.98Å; I419-L425 HydrophobicContact CD1-CD1 3.77Å; I419-L425 HydrophobicContact CD1-CG 4.37Å; I419-L425 HydrophobicContact CG2-CB 4.1Å; E423-L425 VanDerWaalsContact C-N 3.35Å; E423-L425 PolarHBondContact O-N 3.07Å; L425-T428 PolarHBondContact O-N 3.35Å; L425-I429 HydrophobicContact CD1-CD1 3.83Å; L425-I429 HydrophobicContact CD1-CG1 4.16Å; L425-I429 HydrophobicContact CG-CD1 3.84Å; L425-I429 WeakPolarHBondContact O-CB 3.49Å; L425-I429 WeakPolarHBondContact O-CD1 3.33Å; L425-I429 VanDerWaalsContact O-CG1 3.24Å; L425-I429 WeakPolarHBondContact O-CG1 3.45Å; L425-I429 PolarHBondContact O-N 3.01Å; L425-L443 HydrophobicContact CD1-CD1 4.23Å
426	F	61.1	Low	55.9	Low	96 Å²	96	89.3 Å²	89.3	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-45.3	178.6	-172.7	-107.5	0	0	0	112	I403 T422 E423 I429 I430	I403-F426 HydrophobicContact CD1-CE2 4.48Å; T422-F426 PolarHBondContact O-N 3.47Å; E423-F426 PolarHBondContact O-N 2.89Å; F426-I429 PolarHBondContact O-N 3.35Å; F426-I430 HydrophobicContact CD1-CD1 3.74Å; F426-I430 HydrophobicContact CE1-CD1 3.35Å; F426-I430 HydrophobicContact CE2-CD1 4.33Å; F426-I430 HydrophobicContact CG-CD1 4.39Å; F426-I430 HydrophobicContact CZ-CD1 3.69Å; F426-I430 WeakPolarHBondContact O-CG1 3.44Å; F426-I430 PolarHBondContact O-N 3.35Å
427	L	64.3	Low	56.4	Low	104 Å²	104	87.9 Å²	87.9	55%	0.545	43%	0.43	S	S	.	.	H	α-helix	trans	-62.3	-43.9	173.9	-70.5	172.9	0	0	0	111.5	E423 I429 I430 D431	E423-L427 WeakPolarHBondContact O-CB 3.46Å; E423-L427 WeakPolarHBondContact O-CG 3.46Å; E423-L427 PolarHBondContact O-N 3.02Å; L427-I429 PolarHBondContact O-N 3.47Å; L427-I430 PolarHBondContact O-N 2.97Å; L427-D431 WeakPolarHBondContact O-CB 3.22Å; L427-D431 PolarHBondContact O-N 3.05Å
428	T	58.4	Low	56.8	Low	44 Å²	44	91.3 Å²	91.3	27%	0.27	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-39.8	177.6	-54.3	0	0	0	0	112.1	L365 D424 L425 C432	L365-T428 HydrophobicContact CD2-CG2 4.5Å; D424-T428 WeakPolarHBondContact O-CB 3.32Å; D424-T428 PolarHBondContact O-N 3.46Å; D424-T428 PolarHBondContact O-OG1 3.35Å; L425-T428 PolarHBondContact O-N 3.35Å; T428-C432 WeakPolarHBondContact O-CB 3.35Å; T428-C432 PolarHBondContact O-N 3.49Å
429	I	62.2	Low	57.4	Low	27 Å²	27	94.1 Å²	94.1	14%	0.138	46%	0.459	C	S	.	.	H	α-helix	trans	-64.2	-42.3	174.4	-73.2	164.8	0	0	0	111.3	L365 I370 L425 F426 L427 K433	L365-I429 HydrophobicContact CD2-CG1 3.56Å; I370-I429 HydrophobicContact CD1-CD1 4.43Å; I370-I429 HydrophobicContact CD1-CG2 3.72Å; L425-I429 HydrophobicContact CD1-CD1 3.83Å; L425-I429 HydrophobicContact CD1-CG1 4.16Å; L425-I429 HydrophobicContact CG-CD1 3.84Å; L425-I429 WeakPolarHBondContact O-CB 3.49Å; L425-I429 WeakPolarHBondContact O-CD1 3.33Å; L425-I429 VanDerWaalsContact O-CG1 3.24Å; L425-I429 WeakPolarHBondContact O-CG1 3.45Å; L425-I429 PolarHBondContact O-N 3.01Å; F426-I429 PolarHBondContact O-N 3.35Å; L427-I429 PolarHBondContact O-N 3.47Å; I429-K433 PolarHBondContact O-N 2.68Å
430	I	64.5	Low	57.8	Low	52 Å²	52	96.2 Å²	96.2	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-66	-50.4	178	-73.2	173.5	0	0	0	110.6	F426 L427 C432 K433 Q434	F426-I430 HydrophobicContact CD1-CD1 3.74Å; F426-I430 HydrophobicContact CE1-CD1 3.35Å; F426-I430 HydrophobicContact CE2-CD1 4.33Å; F426-I430 HydrophobicContact CG-CD1 4.39Å; F426-I430 HydrophobicContact CZ-CD1 3.69Å; F426-I430 WeakPolarHBondContact O-CG1 3.44Å; F426-I430 PolarHBondContact O-N 3.35Å; L427-I430 PolarHBondContact O-N 2.97Å; I430-C432 VanDerWaalsContact C-N 3.32Å; I430-C432 PolarHBondContact O-N 3.37Å; I430-K433 PolarHBondContact O-N 3.01Å; I430-K433 VanDerWaalsContact O-N 3.12Å; I430-Q434 WeakPolarHBondContact O-CB 3.24Å; I430-Q434 PolarHBondContact O-N 3.48Å
431	D	61.8	Low	58.2	Low	64 Å²	64	87.5 Å²	87.5	34%	0.342	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-43.8	178.7	-102.7	30.4	0	0	0	111.8	L427 K433 Q434 Y435 K440	L427-D431 WeakPolarHBondContact O-CB 3.22Å; L427-D431 PolarHBondContact O-N 3.05Å; D431-K433 VanDerWaalsContact C-N 3.35Å; D431-K433 PolarHBondContact O-N 3.3Å; D431-Q434 PolarHBondContact O-N 3.1Å; D431-Y435 PolarHBondContact O-N 3.48Å; D431-K440 IonicContact OD2-NZ 2.66Å; D431-K440 PolarHBondContact OD2-NZ 3.21Å
432	C	61.2	Low	58.7	Low	11 Å²	11	87 Å²	87	7%	0.074	42%	0.424	C	S	.	.	H	α-helix	trans	-57.7	-42.8	175.5	168.9	0	0	0	0	112.4	T428 I430 C441	T428-C432 WeakPolarHBondContact O-CB 3.35Å; T428-C432 PolarHBondContact O-N 3.49Å; I430-C432 VanDerWaalsContact C-N 3.32Å; I430-C432 PolarHBondContact O-N 3.37Å; C432-C441 WeakPolarHBondContact CA-SG 3.32Å; C432-C441 HydrophobicContact CB-CB 4.04Å; C432-C441 WeakPolarHBondContact CB-SG 3.3Å; C432-C441 PolarHBondContact O-SG 3.49Å; C432-C441 VanDerWaalsContact SG-CA 3.56Å; C432-C441 WeakPolarHBondContact SG-CB 3.44Å; C432-C441 CovalentContact SG-SG 2.04Å; C432-C441 PolarHBondContact SG-SG 2.86Å
433	K	59.7	Low	58.8	Low	104 Å²	104	83.1 Å²	83.1	45%	0.452	40%	0.4	S	S	.	.	H	α-helix	trans	-78.7	-30.7	176.3	-88.5	-168.6	174.3	-176	0	114.1	I370 P371 I429 I430 D431	I370-K433 PolarHBondContact O-NZ 3.46Å; P371-K433 PolarHBondContact O-NZ 3.31Å; I429-K433 PolarHBondContact O-N 2.68Å; I430-K433 PolarHBondContact O-N 3.01Å; I430-K433 VanDerWaalsContact O-N 3.12Å; D431-K433 VanDerWaalsContact C-N 3.35Å; D431-K433 PolarHBondContact O-N 3.3Å
434	Q	57.1	Low	58.6	Low	146 Å²	146	81.4 Å²	81.4	68%	0.682	39%	0.394	S	S	*	.	H	α-helix	trans	-89.4	-29.5	-168.8	-172.5	159.1	-27.8	0	0	113.7	I430 D431	I430-Q434 WeakPolarHBondContact O-CB 3.24Å; I430-Q434 PolarHBondContact O-N 3.48Å; D431-Q434 PolarHBondContact O-N 3.1Å
435	Y	56.9	Low	58.4	Low	168 Å²	168	79.1 Å²	79.1	66%	0.659	38%	0.382	S	S	*	.	H	α-helix	trans	-107.2	-6.5	-179.3	-93.6	-89.8	0	0	0	115.4	D431 D437	D431-Y435 PolarHBondContact O-N 3.48Å; Y435-D437 PolarHBondContact O-N 3.39Å
436	Y	53.9	Low	58.1	Low	213 Å²	213	81.7 Å²	81.7	84%	0.835	39%	0.394	S	S	*	.			trans	53.4	27	179.1	-133.7	-84.6	0	0	0	113.7	P438	Y436-P438 VanDerWaalsContact O-CD 3.3Å; Y436-P438 WeakPolarHBondContact O-CD 3.23Å
437	D	56.5	Low	57.7	Low	60 Å²	60	80.6 Å²	80.6	32%	0.321	39%	0.392	S	S	.	.			trans	-87.5	106.9	177.5	-177.5	-10.6	0	0	0	108.8	Y435 M439 K440 C441	Y435-D437 PolarHBondContact O-N 3.39Å; D437-M439 PolarHBondContact O-N 2.93Å; D437-M439 VanDerWaalsContact O-N 3.15Å; D437-M439 WeakPolarHBondContact OD1-CB 3.38Å; D437-M439 PolarHBondContact OD1-N 3.29Å; D437-K440 HydrophobicContact CB-CB 4.22Å; D437-K440 HydrophobicContact CB-CD 4.2Å; D437-K440 HydrophobicContact CB-CG 4.12Å; D437-K440 PolarHBondContact O-N 2.88Å; D437-C441 PolarHBondContact O-N 3.1Å
438	P	57.5	Low	57.3	Low	99 Å²	99	77.6 Å²	77.6	64%	0.643	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.8	-175.6	28	-35.3	0	0	0	112.8	Y436	Y436-P438 VanDerWaalsContact O-CD 3.3Å; Y436-P438 WeakPolarHBondContact O-CD 3.23Å
439	M	56.8	Low	57.2	Low	148 Å²	148	79.9 Å²	79.9	73%	0.729	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-31.7	174.8	-70.7	-65.3	-176.6	0	0	112.2	D437 C441 L442	D437-M439 PolarHBondContact O-N 2.93Å; D437-M439 VanDerWaalsContact O-N 3.15Å; D437-M439 WeakPolarHBondContact OD1-CB 3.38Å; D437-M439 PolarHBondContact OD1-N 3.29Å; M439-C441 VanDerWaalsContact C-N 3.32Å; M439-L442 WeakPolarHBondContact O-CB 3.26Å; M439-L442 PolarHBondContact O-N 3.24Å
440	K	58.1	Low	57.2	Low	87 Å²	87	80 Å²	80	38%	0.378	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.7	174.2	-70.2	-173.6	175.6	-164.7	0	113.4	D431 D437 L442	D431-K440 IonicContact OD2-NZ 2.66Å; D431-K440 PolarHBondContact OD2-NZ 3.21Å; D437-K440 HydrophobicContact CB-CB 4.22Å; D437-K440 HydrophobicContact CB-CD 4.2Å; D437-K440 HydrophobicContact CB-CG 4.12Å; D437-K440 PolarHBondContact O-N 2.88Å; K440-L442 PolarHBondContact O-N 3.39Å
441	C	56	Low	57.2	Low	10 Å²	10	81.8 Å²	81.8	7%	0.068	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.8	173.1	-67.5	0	0	0	0	114.2	N364 L365 C432 D437 M439	N364-C441 WeakPolarHBondContact CA-O 3.41Å; L365-C441 WeakPolarHBondContact CD1-O 3.37Å; L365-C441 PolarHBondContact N-O 3.08Å; C432-C441 WeakPolarHBondContact CA-SG 3.32Å; C432-C441 HydrophobicContact CB-CB 4.04Å; C432-C441 WeakPolarHBondContact CB-SG 3.3Å; C432-C441 PolarHBondContact O-SG 3.49Å; C432-C441 VanDerWaalsContact SG-CA 3.56Å; C432-C441 WeakPolarHBondContact SG-CB 3.44Å; C432-C441 CovalentContact SG-SG 2.04Å; C432-C441 PolarHBondContact SG-SG 2.86Å; D437-C441 PolarHBondContact O-N 3.1Å; M439-C441 VanDerWaalsContact C-N 3.32Å
442	L	59.4	Low	57.5	Low	59 Å²	59	84.4 Å²	84.4	31%	0.309	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	93.7	-172.8	-156.9	82.1	0	0	0	110.6	F362 M439 K440 I444	F362-L442 HydrophobicContact CB-CD1 3.95Å; F362-L442 HydrophobicContact CB-CG 4.19Å; F362-L442 HydrophobicContact CD1-CD1 4.41Å; F362-L442 HydrophobicContact CD1-CD2 3.47Å; F362-L442 VanDerWaalsContact CD1-CD2 3.47Å; F362-L442 HydrophobicContact CD1-CG 3.87Å; F362-L442 HydrophobicContact CE1-CD2 3.95Å; F362-L442 HydrophobicContact CG-CD1 4.49Å; F362-L442 HydrophobicContact CG-CD2 4.25Å; F362-L442 HydrophobicContact CG-CG 4.42Å; M439-L442 WeakPolarHBondContact O-CB 3.26Å; M439-L442 PolarHBondContact O-N 3.24Å; K440-L442 PolarHBondContact O-N 3.39Å; L442-I444 PolarHBondContact O-N 3Å
443	L	55.2	Low	58	Low	27 Å²	27	91.2 Å²	91.2	14%	0.141	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	114.7	171.4	-92.4	167.9	0	0	0	109.6	V363 L365 L417 I419 L425 T445	V363-L443 HydrophobicContact CB-CB 4.04Å; V363-L443 PolarHBondContact N-O 3.4Å; V363-L443 PolarHBondContact O-N 3.15Å; L365-L443 HydrophobicContact CD1-CB 4.01Å; L365-L443 HydrophobicContact CD1-CD1 3.75Å; L365-L443 HydrophobicContact CD1-CG 3.77Å; L365-L443 HydrophobicContact CD2-CD1 4.1Å; L365-L443 HydrophobicContact CG-CD1 4.18Å; L417-L443 HydrophobicContact CD1-CD1 4.16Å; L417-L443 HydrophobicContact CD2-CD1 4.01Å; I419-L443 HydrophobicContact CD1-CD1 3.76Å; I419-L443 HydrophobicContact CD1-CD2 3.72Å; I419-L443 HydrophobicContact CD1-CG 4.42Å; I419-L443 HydrophobicContact CG1-CD2 4.23Å; L425-L443 HydrophobicContact CD1-CD1 4.23Å; L443-T445 PolarHBondContact O-N 3.33Å
444	I	54.8	Low	59	Low	102 Å²	102	88.5 Å²	88.5	52%	0.523	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	105.9	172.9	-58.1	178.9	0	0	0	107.9	Y360 K361 F362 L442	Y360-I444 HydrophobicContact CD1-CG2 3.67Å; Y360-I444 HydrophobicContact CG-CG2 4.17Å; K361-I444 WeakPolarHBondContact O-CA 3.32Å; F362-I444 HydrophobicContact CD1-CG1 4.06Å; F362-I444 HydrophobicContact CE1-CD1 4.28Å; F362-I444 HydrophobicContact CE1-CG1 4.03Å; L442-I444 PolarHBondContact O-N 3Å
445	T	51.6	Low	60.4	Low	20 Å²	20	85.4 Å²	85.4	12%	0.123	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	172.5	52.3	0	0	0	0	110.3	K361 V363 L417 L443 D447	K361-T445 WeakPolarHBondContact CB-OG1 3.22Å; K361-T445 PolarHBondContact N-O 3.15Å; K361-T445 PolarHBondContact O-N 2.99Å; K361-T445 PolarHBondContact O-OG1 3.26Å; V363-T445 HydrophobicContact CG2-CG2 4.2Å; L417-T445 HydrophobicContact CD1-CG2 3.43Å; L417-T445 VanDerWaalsContact CD1-CG2 3.43Å; L443-T445 PolarHBondContact O-N 3.33Å; T445-D447 PolarHBondContact O-N 3.35Å
446	E	53.7	Low	61.7	Low	75 Å²	75	79.3 Å²	79.3	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	115.3	163	-71.2	-171.3	119.3	0	0	107.6	K358 Y360 D448 R525	K358-E446 IonicContact NZ-OE1 3.22Å; K358-E446 PolarHBondContact NZ-OE1 3.15Å; Y360-E446 HydrophobicContact CE1-CG 4.38Å; E446-D448 PolarHBondContact O-N 2.75Å; E446-R525 IonicContact OE2-CZ 2.83Å; E446-R525 IonicContact OE2-NH1 2.8Å; E446-R525 PolarHBondContact OE2-NH1 3.45Å; E446-R525 IonicContact OE2-NH2 3.77Å; E446-R525 PolarHBondContact OE2-NH2 3.11Å
447	D	52.5	Low	63.2	Low	73 Å²	73	70.3 Å²	70.3	39%	0.39	38%	0.38	S	S	.	.			trans	-71.3	77.3	169.4	-87	-32.2	0	0	0	109.7	K361 T445 I449	K361-D447 WeakPolarHBondContact CD-OD1 3.5Å; K361-D447 WeakPolarHBondContact CD-OD2 3.38Å; K361-D447 WeakPolarHBondContact CE-OD2 3.21Å; K361-D447 VanDerWaalsContact CG-OD2 3.3Å; K361-D447 WeakPolarHBondContact CG-OD2 3.4Å; K361-D447 IonicContact NZ-OD1 2.75Å; K361-D447 PolarHBondContact NZ-OD1 2.88Å; K361-D447 IonicContact NZ-OD2 3.53Å; K361-D447 PolarHBondContact NZ-OD2 3.13Å; T445-D447 PolarHBondContact O-N 3.35Å; D447-I449 PolarHBondContact O-N 3.45Å
448	D	55.5	Low	64.7	Low	40 Å²	40	72 Å²	72	21%	0.214	39%	0.388	C	S	.	.			trans	-72.4	-10.8	-176.3	-104.9	-10.5	0	0	0	114	E446 P450 R525 R528	E446-D448 PolarHBondContact O-N 2.75Å; D448-P450 WeakPolarHBondContact O-CD 3.03Å; D448-R525 IonicContact OD1-NH2 3.53Å; D448-R525 IonicContact OD2-CZ 3.86Å; D448-R525 IonicContact OD2-NE 2.97Å; D448-R525 PolarHBondContact OD2-NE 3.47Å; D448-R525 IonicContact OD2-NH2 2.96Å; D448-R525 PolarHBondContact OD2-NH2 3.13Å; D448-R528 PolarHBondContact O-NH2 3.01Å; D448-R528 VanDerWaalsContact O-NH2 3.07Å; D448-R528 IonicContact OD1-NH2 2.86Å
449	I	56.6	Low	66.3	Low	93 Å²	93	70 Å²	70	48%	0.477	37%	0.371	S	S	.	.	S	Bend	trans	-94.8	99.4	179.7	-50.2	174.2	0	0	0	108.6	D447 T451	D447-I449 PolarHBondContact O-N 3.45Å; I449-T451 PolarHBondContact O-N 3.17Å
450	P	61.3	Low	67.8	Low	30 Å²	30	63.6 Å²	63.6	20%	0.195	34%	0.34	C	S	.	.			trans	-58.5	124.2	172.6	24.1	-36.1	0	0	0	110.2	D448 F457 M507	D448-P450 WeakPolarHBondContact O-CD 3.03Å; P450-F457 HydrophobicContact CB-CB 4.01Å; P450-F457 HydrophobicContact CB-CD2 3.94Å; P450-F457 HydrophobicContact CB-CG 4.17Å; P450-F457 HydrophobicContact CG-CD2 3.84Å; P450-F457 HydrophobicContact CG-CE2 4.36Å; P450-M507 VanDerWaalsContact CD-CE 3.48Å; P450-M507 HydrophobicContact CG-CE 3.39Å
451	T	65.3	Low	69.4	Low	88 Å²	88	60.6 Å²	60.6	54%	0.54	33%	0.329	S	S	.	.			trans	-70.7	150.6	168.9	69.2	0	0	0	0	109.3	I449 I453 D454	I449-T451 PolarHBondContact O-N 3.17Å; T451-I453 PolarHBondContact O-N 2.7Å; T451-D454 VanDerWaalsContact O-CB 3.28Å; T451-D454 WeakPolarHBondContact O-CB 3.37Å; T451-D454 PolarHBondContact O-N 2.8Å
452	V	67.5	Low	71.2	Confident	119 Å²	119	64.8 Å²	64.8	72%	0.721	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13	177.8	-173.3	0	0	0	0	112.6
453	I	71.5	Confident	72.8	Confident	155 Å²	155	62.1 Å²	62.1	80%	0.795	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-16.1	179	-50.8	173.7	0	0	0	111.6	T451	T451-I453 PolarHBondContact O-N 2.7Å
454	D	81.6	Confident	74.6	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.251	33%	0.329	S	S	.	.			trans	-63.1	122	179.5	180	-5.7	0	0	0	110.8	T451 F456 F457 L458	T451-D454 VanDerWaalsContact O-CB 3.28Å; T451-D454 WeakPolarHBondContact O-CB 3.37Å; T451-D454 PolarHBondContact O-N 2.8Å; D454-F456 PolarHBondContact O-N 2.76Å; D454-F456 WeakPolarHBondContact OD1-CB 3.31Å; D454-F456 WeakPolarHBondContact OD1-CD2 3.35Å; D454-F456 PolarHBondContact OD1-N 3.46Å; D454-F457 HydrophobicContact CB-CB 4.06Å; D454-F457 PolarHBondContact O-N 2.99Å; D454-F457 VanDerWaalsContact O-N 3.17Å; D454-L458 PolarHBondContact O-N 2.96Å
455	P	86	Confident	76.5	Confident	81 Å²	81	61.2 Å²	61.2	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-57.5	-31.9	177.9	24.1	-35.1	0	0	0	113.2	L458 I459	P455-L458 PolarHBondContact O-N 2.93Å; P455-I459 WeakPolarHBondContact O-CD1 3.22Å; P455-I459 VanDerWaalsContact O-CG1 3.23Å; P455-I459 WeakPolarHBondContact O-CG1 3.32Å; P455-I459 PolarHBondContact O-N 3.02Å
456	F	85.5	Confident	78.6	Confident	40 Å²	40	63.9 Å²	63.9	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-68.3	-44	177.6	-64.9	-60.9	0	0	0	111.6	I348 I351 F357 D454 I459 E460	I348-F456 HydrophobicContact CG2-CD1 3.99Å; I351-F456 HydrophobicContact CB-CE1 4.43Å; I351-F456 HydrophobicContact CG2-CE1 3.75Å; I351-F456 HydrophobicContact CG2-CZ 3.8Å; F357-F456 HydrophobicContact CB-CE2 4.03Å; F357-F456 HydrophobicContact CB-CZ 4.21Å; F357-F456 AromaticContact CD1-CE2 3.98Å; F357-F456 HydrophobicContact CD1-CE2 3.98Å; F357-F456 AromaticContact CD1-CZ 3.73Å; F357-F456 HydrophobicContact CD1-CZ 3.73Å; F357-F456 HydrophobicContact CE1-CZ 4.26Å; F357-F456 HydrophobicContact CG-CE2 4.21Å; F357-F456 AromaticContact CG-CZ 3.96Å; F357-F456 HydrophobicContact CG-CZ 3.96Å; D454-F456 PolarHBondContact O-N 2.76Å; D454-F456 WeakPolarHBondContact OD1-CB 3.31Å; D454-F456 WeakPolarHBondContact OD1-CD2 3.35Å; D454-F456 PolarHBondContact OD1-N 3.46Å; F456-I459 PolarHBondContact O-N 3.18Å; F456-E460 PolarHBondContact O-N 3.12Å
457	F	85	Confident	80.6	Confident	23 Å²	23	60.4 Å²	60.4	10%	0.101	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-41.1	175.2	-175.9	-97.9	0	0	0	112	P450 D454 T461 Y500 V504	P450-F457 HydrophobicContact CB-CB 4.01Å; P450-F457 HydrophobicContact CB-CD2 3.94Å; P450-F457 HydrophobicContact CB-CG 4.17Å; P450-F457 HydrophobicContact CG-CD2 3.84Å; P450-F457 HydrophobicContact CG-CE2 4.36Å; D454-F457 HydrophobicContact CB-CB 4.06Å; D454-F457 PolarHBondContact O-N 2.99Å; D454-F457 VanDerWaalsContact O-N 3.17Å; F457-T461 VanDerWaalsContact O-CB 3.32Å; F457-T461 WeakPolarHBondContact O-CB 3.32Å; F457-T461 PolarHBondContact O-N 3.03Å; F457-T461 PolarHBondContact O-OG1 3.22Å; F457-Y500 HydrophobicContact CE2-CE2 4.21Å; F457-Y500 HydrophobicContact CZ-CE2 4.31Å; F457-V504 HydrophobicContact CZ-CG2 4.3Å
458	L	88	Confident	82.6	Confident	95 Å²	95	58.4 Å²	58.4	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-47.1	176.3	179.6	62.7	0	0	0	111.9	D454 P455 T461 I462	D454-L458 PolarHBondContact O-N 2.96Å; P455-L458 PolarHBondContact O-N 2.93Å; L458-T461 WeakPolarHBondContact O-CB 3.44Å; L458-T461 PolarHBondContact O-N 3Å; L458-I462 HydrophobicContact CD1-CD1 4.35Å; L458-I462 HydrophobicContact CG-CD1 4.19Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 3.02Å
459	I	89.7	Confident	84.5	Confident	57 Å²	57	61.2 Å²	61.2	29%	0.292	32%	0.324	S	S	.	.	H	α-helix	trans	-72.4	-37.6	-178.8	-54.4	158.3	0	0	0	111.1	L344 I348 P455 F456 T461 I462 C463	L344-I459 HydrophobicContact CD2-CG2 4.34Å; I348-I459 HydrophobicContact CD1-CB 3.79Å; I348-I459 HydrophobicContact CD1-CD1 3.91Å; I348-I459 HydrophobicContact CD1-CG1 4.43Å; I348-I459 HydrophobicContact CD1-CG2 3.23Å; P455-I459 WeakPolarHBondContact O-CD1 3.22Å; P455-I459 VanDerWaalsContact O-CG1 3.23Å; P455-I459 WeakPolarHBondContact O-CG1 3.32Å; P455-I459 PolarHBondContact O-N 3.02Å; F456-I459 PolarHBondContact O-N 3.18Å; I459-T461 VanDerWaalsContact C-N 3.28Å; I459-T461 PolarHBondContact O-N 3.36Å; I459-I462 PolarHBondContact O-N 3.21Å; I459-C463 PolarHBondContact O-N 2.67Å; I459-C463 PolarHBondContact O-SG 3.43Å; I459-C463 VanDerWaalsContact O-SG 3.42Å
460	E	89.2	Confident	86.3	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-44	171.4	-176.8	175.9	-149.2	0	0	110.8	F456 I462 C463 I464 Y500 R531 R534	F456-E460 PolarHBondContact O-N 3.12Å; E460-I462 VanDerWaalsContact C-N 3.34Å; E460-I462 PolarHBondContact O-N 2.83Å; E460-C463 PolarHBondContact O-N 2.61Å; E460-I464 HydrophobicContact CG-CG1 4.11Å; E460-I464 WeakPolarHBondContact O-CB 3.36Å; E460-I464 VanDerWaalsContact O-CG1 3.31Å; E460-I464 WeakPolarHBondContact O-CG1 3.5Å; E460-I464 PolarHBondContact O-N 2.88Å; E460-Y500 HydrophobicContact CG-CD2 4.14Å; E460-R531 IonicContact OE1-CZ 3.21Å; E460-R531 IonicContact OE1-NE 3.09Å; E460-R531 PolarHBondContact OE1-NE 2.88Å; E460-R531 IonicContact OE1-NH2 2.68Å; E460-R531 IonicContact OE2-CZ 3.87Å; E460-R531 VanDerWaalsContact OE2-CZ 3.28Å; E460-R531 IonicContact OE2-NE 3.5Å; E460-R531 PolarHBondContact OE2-NE 3.42Å; E460-R531 IonicContact OE2-NH2 3.41Å; E460-R531 PolarHBondContact OE2-NH2 3.25Å; E460-R534 IonicContact OE1-CZ 3.04Å; E460-R534 IonicContact OE1-NH1 2.78Å; E460-R534 PolarHBondContact OE1-NH1 3.24Å; E460-R534 IonicContact OE1-NH2 3.54Å; E460-R534 PolarHBondContact OE1-NH2 3.32Å
461	T	91.2	Very high	87.9	Confident	24 Å²	24	56.4 Å²	56.4	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-46.9	176.1	-61.1	0	0	0	0	111.2	F457 L458 I459 I464 I465 Y500	F457-T461 VanDerWaalsContact O-CB 3.32Å; F457-T461 WeakPolarHBondContact O-CB 3.32Å; F457-T461 PolarHBondContact O-N 3.03Å; F457-T461 PolarHBondContact O-OG1 3.22Å; L458-T461 WeakPolarHBondContact O-CB 3.44Å; L458-T461 PolarHBondContact O-N 3Å; I459-T461 VanDerWaalsContact C-N 3.28Å; I459-T461 PolarHBondContact O-N 3.36Å; T461-I464 PolarHBondContact O-N 3.28Å; T461-I465 HydrophobicContact CG2-CD1 3.84Å; T461-I465 HydrophobicContact CG2-CG1 4.48Å; T461-I465 VanDerWaalsContact O-CG1 3.26Å; T461-I465 WeakPolarHBondContact O-CG1 3.48Å; T461-I465 PolarHBondContact O-N 3.26Å; T461-Y500 WeakPolarHBondContact CG2-OH 3.19Å; T461-Y500 WeakPolarHBondContact OG1-CE2 2.96Å; T461-Y500 PolarHBondContact OG1-OH 3.07Å; T461-Y500 VanDerWaalsContact OG1-OH 3.1Å
462	I	93.3	Very high	89.3	Confident	99 Å²	99	57.3 Å²	57.3	51%	0.508	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-46	177.5	-67.3	164.2	0	0	0	111.4	L458 I459 E460 I464 I465 W466	L458-I462 HydrophobicContact CD1-CD1 4.35Å; L458-I462 HydrophobicContact CG-CD1 4.19Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 3.02Å; I459-I462 PolarHBondContact O-N 3.21Å; E460-I462 VanDerWaalsContact C-N 3.34Å; E460-I462 PolarHBondContact O-N 2.83Å; I462-I464 VanDerWaalsContact C-N 3.32Å; I462-I464 PolarHBondContact O-N 3.01Å; I462-I465 PolarHBondContact O-N 3.06Å; I462-W466 PolarHBondContact O-N 3.21Å; I462-W466 VanDerWaalsContact O-N 3.1Å
463	C	94	Very high	90.6	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-40.4	176.1	-70.8	0	0	0	0	112.2	V341 I459 E460 W466 F467	V341-C463 HydrophobicContact CG1-CB 4.07Å; I459-C463 PolarHBondContact O-N 2.67Å; I459-C463 PolarHBondContact O-SG 3.43Å; I459-C463 VanDerWaalsContact O-SG 3.42Å; E460-C463 PolarHBondContact O-N 2.61Å; C463-W466 WeakPolarHBondContact O-CB 3.29Å; C463-W466 PolarHBondContact O-N 3.3Å; C463-F467 HydrophobicContact CB-CE2 4.49Å; C463-F467 WeakPolarHBondContact O-CD2 3.43Å; C463-F467 WeakPolarHBondContact O-CG 3.38Å; C463-F467 PolarHBondContact O-N 3.34Å
464	I	93.6	Very high	91.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-74.8	-34.1	-179.3	-67.2	-72	0	0	0	112.2	E460 T461 I462 W466 F467 T468 I497 Y500 F501	E460-I464 HydrophobicContact CG-CG1 4.11Å; E460-I464 WeakPolarHBondContact O-CB 3.36Å; E460-I464 VanDerWaalsContact O-CG1 3.31Å; E460-I464 WeakPolarHBondContact O-CG1 3.5Å; E460-I464 PolarHBondContact O-N 2.88Å; T461-I464 PolarHBondContact O-N 3.28Å; I462-I464 VanDerWaalsContact C-N 3.32Å; I462-I464 PolarHBondContact O-N 3.01Å; I464-W466 VanDerWaalsContact C-N 3.31Å; I464-W466 PolarHBondContact O-N 3.14Å; I464-F467 HydrophobicContact CD1-CD2 4.03Å; I464-F467 PolarHBondContact O-N 2.7Å; I464-T468 VanDerWaalsContact O-CB 3.23Å; I464-T468 WeakPolarHBondContact O-CB 3.42Å; I464-T468 PolarHBondContact O-N 3.17Å; I464-T468 PolarHBondContact O-OG1 3.48Å; I464-I497 HydrophobicContact CD1-CB 4.4Å; I464-I497 HydrophobicContact CD1-CG2 4.16Å; I464-Y500 HydrophobicContact CB-CD1 4.24Å; I464-Y500 HydrophobicContact CB-CD2 4.47Å; I464-Y500 HydrophobicContact CB-CG 4.12Å; I464-Y500 HydrophobicContact CG1-CD2 4.21Å; I464-Y500 HydrophobicContact CG1-CG 3.97Å; I464-Y500 HydrophobicContact CG2-CD1 3.56Å; I464-Y500 HydrophobicContact CG2-CE1 4.18Å; I464-Y500 HydrophobicContact CG2-CG 3.81Å; I464-F501 HydrophobicContact CG2-CE2 4.04Å; I464-F501 HydrophobicContact CG2-CZ 4.31Å
465	I	95	Very high	92.2	Very high	109 Å²	109	47.2 Å²	47.2	56%	0.559	24%	0.238	S	C	*	.	H	α-helix	trans	-57.9	-46.5	169.1	-72.1	164.6	0	0	0	109.8	T461 I462 T468 F469	T461-I465 HydrophobicContact CG2-CD1 3.84Å; T461-I465 HydrophobicContact CG2-CG1 4.48Å; T461-I465 VanDerWaalsContact O-CG1 3.26Å; T461-I465 WeakPolarHBondContact O-CG1 3.48Å; T461-I465 PolarHBondContact O-N 3.26Å; I462-I465 PolarHBondContact O-N 3.06Å; I465-T468 PolarHBondContact O-N 3.32Å; I465-F469 VanDerWaalsContact O-CB 3.27Å; I465-F469 WeakPolarHBondContact O-CB 3.47Å; I465-F469 PolarHBondContact O-N 2.87Å
466	W	95.3	Very high	92.6	Very high	76 Å²	76	46.4 Å²	46.4	29%	0.288	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-50.7	176.1	-175.8	-93.1	0	0	0	112.3	C337 S338 V341 I462 C463 I464 T468 F469 E470	C337-W466 HydrophobicContact CB-CZ2 4.17Å; S338-W466 PolarHBondContact OG-NE1 3.42Å; V341-W466 HydrophobicContact CG1-CB 4.18Å; V341-W466 HydrophobicContact CG1-CG 4.18Å; V341-W466 HydrophobicContact CG2-CG 4.24Å; I462-W466 PolarHBondContact O-N 3.21Å; I462-W466 VanDerWaalsContact O-N 3.1Å; C463-W466 WeakPolarHBondContact O-CB 3.29Å; C463-W466 PolarHBondContact O-N 3.3Å; I464-W466 VanDerWaalsContact C-N 3.31Å; I464-W466 PolarHBondContact O-N 3.14Å; W466-T468 VanDerWaalsContact C-N 3.33Å; W466-T468 PolarHBondContact O-N 2.97Å; W466-F469 PolarHBondContact O-N 2.91Å; W466-E470 VanDerWaalsContact O-CB 3.31Å; W466-E470 WeakPolarHBondContact O-CB 3.48Å; W466-E470 PolarHBondContact O-N 3.32Å
467	F	94.8	Very high	92.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-37.4	179.6	-61.4	-25.2	0	0	0	113.1	V341 I342 C463 I464 L471 I497 R534 K537	V341-F467 HydrophobicContact CB-CE1 4.31Å; V341-F467 HydrophobicContact CG1-CD1 4.44Å; V341-F467 HydrophobicContact CG1-CE1 3.68Å; V341-F467 HydrophobicContact CG1-CZ 3.96Å; I342-F467 HydrophobicContact CG1-CE1 3.7Å; I342-F467 HydrophobicContact CG1-CZ 3.85Å; C463-F467 HydrophobicContact CB-CE2 4.49Å; C463-F467 WeakPolarHBondContact O-CD2 3.43Å; C463-F467 WeakPolarHBondContact O-CG 3.38Å; C463-F467 PolarHBondContact O-N 3.34Å; I464-F467 HydrophobicContact CD1-CD2 4.03Å; I464-F467 PolarHBondContact O-N 2.7Å; F467-L471 VanDerWaalsContact O-CB 3.32Å; F467-L471 WeakPolarHBondContact O-CB 3.33Å; F467-L471 PolarHBondContact O-N 3.43Å; F467-I497 HydrophobicContact CB-CG2 3.67Å; F467-R534 HydrophobicContact CE2-CG 4.47Å; F467-K537 HydrophobicContact CD1-CD 4.26Å; F467-K537 HydrophobicContact CE1-CD 4.35Å
468	T	95.3	Very high	93.1	Very high	31 Å²	31	43.7 Å²	43.7	19%	0.19	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-42.4	178	-56.2	0	0	0	0	110.9	I464 I465 W466 L471 L472 F501	I464-T468 VanDerWaalsContact O-CB 3.23Å; I464-T468 WeakPolarHBondContact O-CB 3.42Å; I464-T468 PolarHBondContact O-N 3.17Å; I464-T468 PolarHBondContact O-OG1 3.48Å; I465-T468 PolarHBondContact O-N 3.32Å; W466-T468 VanDerWaalsContact C-N 3.33Å; W466-T468 PolarHBondContact O-N 2.97Å; T468-L471 PolarHBondContact O-N 3.4Å; T468-L472 HydrophobicContact CG2-CD1 4.25Å; T468-L472 VanDerWaalsContact O-CB 3.32Å; T468-L472 WeakPolarHBondContact O-CB 3.13Å; T468-L472 PolarHBondContact O-N 3.13Å; T468-F501 HydrophobicContact CG2-CZ 4.29Å
469	F	95.3	Very high	93.1	Very high	100 Å²	100	41.5 Å²	41.5	44%	0.439	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-47.3	174.2	170	-101.6	0	0	0	112.1	F322 I465 W466 L471 L472 I473	F322-F469 HydrophobicContact CE1-CE1 4.33Å; F322-F469 HydrophobicContact CZ-CE1 4.01Å; I465-F469 VanDerWaalsContact O-CB 3.27Å; I465-F469 WeakPolarHBondContact O-CB 3.47Å; I465-F469 PolarHBondContact O-N 2.87Å; W466-F469 PolarHBondContact O-N 2.91Å; F469-L471 PolarHBondContact O-N 3.44Å; F469-L472 PolarHBondContact O-N 3.37Å; F469-I473 HydrophobicContact CD1-CD1 4.27Å; F469-I473 HydrophobicContact CD2-CD1 4.09Å; F469-I473 HydrophobicContact CE1-CD1 3.7Å; F469-I473 HydrophobicContact CE2-CD1 3.5Å; F469-I473 VanDerWaalsContact CE2-CD1 3.5Å; F469-I473 HydrophobicContact CE2-CG1 4.35Å; F469-I473 HydrophobicContact CG-CD1 4.46Å; F469-I473 HydrophobicContact CZ-CD1 3.28Å; F469-I473 HydrophobicContact CZ-CG1 4.49Å; F469-I473 PolarHBondContact O-N 3.43Å
470	E	94.4	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-45.5	178.3	-162	-165.5	152.2	0	0	111.6	F322 W466 R474 K537	F322-E470 HydrophobicContact CD1-CG 3.95Å; F322-E470 HydrophobicContact CE1-CG 4.22Å; W466-E470 VanDerWaalsContact O-CB 3.31Å; W466-E470 WeakPolarHBondContact O-CB 3.48Å; W466-E470 PolarHBondContact O-N 3.32Å; E470-R474 WeakPolarHBondContact O-CG 3.15Å; E470-R474 PolarHBondContact O-N 2.83Å; E470-R474 VanDerWaalsContact O-N 3.1Å; E470-R474 IonicContact OE1-CZ 2.86Å; E470-R474 IonicContact OE1-NH1 3.79Å; E470-R474 PolarHBondContact OE1-NH1 2.86Å; E470-R474 IonicContact OE1-NH2 3.77Å; E470-R474 PolarHBondContact OE1-NH2 3.43Å; E470-K537 VanDerWaalsContact CD-NZ 3.32Å; E470-K537 WeakPolarHBondContact OE1-CE 3.24Å; E470-K537 IonicContact OE1-NZ 3.18Å; E470-K537 WeakPolarHBondContact OE2-CE 3.36Å; E470-K537 IonicContact OE2-NZ 3.86Å; E470-K537 PolarHBondContact OE2-NZ 2.93Å
471	L	93.9	Very high	93	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-43.8	174.9	177.5	63.2	0	0	0	112.1	F467 T468 F469 R474 F475 F484 D493 I494 I497	F467-L471 VanDerWaalsContact O-CB 3.32Å; F467-L471 WeakPolarHBondContact O-CB 3.33Å; F467-L471 PolarHBondContact O-N 3.43Å; T468-L471 PolarHBondContact O-N 3.4Å; F469-L471 PolarHBondContact O-N 3.44Å; L471-R474 PolarHBondContact O-N 2.96Å; L471-F475 WeakPolarHBondContact O-CB 3.4Å; L471-F475 PolarHBondContact O-N 2.9Å; L471-F484 HydrophobicContact CD1-CE1 3.88Å; L471-F484 HydrophobicContact CD1-CZ 4.01Å; L471-D493 HydrophobicContact CD1-CB 4.05Å; L471-I494 HydrophobicContact CD1-CG1 4.19Å; L471-I494 HydrophobicContact CD2-CG1 3.78Å; L471-I497 HydrophobicContact CD2-CD1 3.65Å
472	L	94.9	Very high	92.9	Very high	107 Å²	107	51.1 Å²	51.1	56%	0.56	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-44.3	177.9	-96.7	165.8	0	0	0	112	T468 F469 F475 A476	T468-L472 HydrophobicContact CG2-CD1 4.25Å; T468-L472 VanDerWaalsContact O-CB 3.32Å; T468-L472 WeakPolarHBondContact O-CB 3.13Å; T468-L472 PolarHBondContact O-N 3.13Å; F469-L472 PolarHBondContact O-N 3.37Å; L472-F475 PolarHBondContact O-N 2.9Å; L472-A476 VanDerWaalsContact O-CB 3.22Å; L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 3.43Å
473	I	94.3	Very high	92.7	Very high	34 Å²	34	48.4 Å²	48.4	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-43.3	177.7	-71.4	-179.6	0	0	0	110.8	L318 F322 F469 A476 S477	L318-I473 HydrophobicContact CB-CG2 4.39Å; F322-I473 HydrophobicContact CD2-CG2 3.57Å; F322-I473 HydrophobicContact CE1-CD1 4.47Å; F322-I473 HydrophobicContact CE2-CB 4.49Å; F322-I473 HydrophobicContact CE2-CD1 3.95Å; F322-I473 HydrophobicContact CE2-CG2 3.75Å; F322-I473 HydrophobicContact CG-CG2 4Å; F322-I473 HydrophobicContact CZ-CD1 3.77Å; F322-I473 HydrophobicContact CZ-CG2 4.32Å; F469-I473 HydrophobicContact CD1-CD1 4.27Å; F469-I473 HydrophobicContact CD2-CD1 4.09Å; F469-I473 HydrophobicContact CE1-CD1 3.7Å; F469-I473 HydrophobicContact CE2-CD1 3.5Å; F469-I473 VanDerWaalsContact CE2-CD1 3.5Å; F469-I473 HydrophobicContact CE2-CG1 4.35Å; F469-I473 HydrophobicContact CG-CD1 4.46Å; F469-I473 HydrophobicContact CZ-CD1 3.28Å; F469-I473 HydrophobicContact CZ-CG1 4.49Å; F469-I473 PolarHBondContact O-N 3.43Å; I473-A476 PolarHBondContact O-N 3.28Å; I473-S477 VanDerWaalsContact O-CB 3.3Å; I473-S477 WeakPolarHBondContact O-CB 3.44Å; I473-S477 PolarHBondContact O-N 2.99Å; I473-S477 PolarHBondContact O-OG 3.49Å
474	R	93.2	Very high	92.6	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-48	174	-74.1	-172.1	-173.2	109.9	17.9	111.5	W319 F322 E323 E470 L471 A476 S477 S478 F484 D493	W319-R474 HydrophobicContact CZ3-CB 4.39Å; W319-R474 WeakPolarHBondContact CZ3-O 3.28Å; F322-R474 HydrophobicContact CB-CG 4.05Å; F322-R474 PolarHBondContact O-NE 3.44Å; F322-R474 PolarHBondContact O-NH2 3.44Å; E323-R474 WeakPolarHBondContact OE2-CD 3.41Å; E323-R474 IonicContact OE2-NE 2.67Å; E470-R474 WeakPolarHBondContact O-CG 3.15Å; E470-R474 PolarHBondContact O-N 2.83Å; E470-R474 VanDerWaalsContact O-N 3.1Å; E470-R474 IonicContact OE1-CZ 2.86Å; E470-R474 IonicContact OE1-NH1 3.79Å; E470-R474 PolarHBondContact OE1-NH1 2.86Å; E470-R474 IonicContact OE1-NH2 3.77Å; E470-R474 PolarHBondContact OE1-NH2 3.43Å; L471-R474 PolarHBondContact O-N 2.96Å; R474-A476 PolarHBondContact O-N 3.03Å; R474-S477 PolarHBondContact O-N 2.7Å; R474-S477 PolarHBondContact O-OG 2.98Å; R474-S478 WeakPolarHBondContact O-CB 3.49Å; R474-S478 PolarHBondContact O-N 3.5Å; R474-F484 HydrophobicContact CB-CE2 3.79Å; R474-F484 HydrophobicContact CB-CZ 3.8Å; R474-D493 IonicContact NH1-OD1 2.89Å; R474-D493 IonicContact NH1-OD2 2.81Å; R474-D493 PolarHBondContact NH1-OD2 3.02Å; R474-D493 VanDerWaalsContact NH1-OD2 3.17Å
475	F	94.5	Very high	92.4	Very high	72 Å²	72	53.8 Å²	53.8	32%	0.316	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-47.8	177.7	178.6	-109.4	0	0	0	111.7	L471 L472 S477 S478 K481 F484 F485	L471-F475 WeakPolarHBondContact O-CB 3.4Å; L471-F475 PolarHBondContact O-N 2.9Å; L472-F475 PolarHBondContact O-N 2.9Å; F475-S477 VanDerWaalsContact C-N 3.35Å; F475-S477 PolarHBondContact O-N 3.31Å; F475-S478 PolarHBondContact O-N 3.35Å; F475-S478 PolarHBondContact O-OG 3.19Å; F475-K481 HydrophobicContact CE2-CB 3.97Å; F475-K481 HydrophobicContact CE2-CD 4.19Å; F475-K481 HydrophobicContact CE2-CG 4.47Å; F475-K481 HydrophobicContact CZ-CB 4.25Å; F475-K481 HydrophobicContact CZ-CD 4.36Å; F475-K481 HydrophobicContact CZ-CG 4.49Å; F475-K481 PolarHBondContact O-NZ 3.42Å; F475-F484 HydrophobicContact CB-CD1 4.42Å; F475-F484 HydrophobicContact CB-CE1 4.01Å; F475-F484 HydrophobicContact CB-CZ 4.24Å; F475-F484 AromaticContact CD2-CD1 3.74Å; F475-F484 HydrophobicContact CD2-CD1 3.74Å; F475-F484 HydrophobicContact CD2-CE1 4.15Å; F475-F484 HydrophobicContact CD2-CG 4.19Å; F475-F485 HydrophobicContact CD2-CE2 4.06Å; F475-F485 HydrophobicContact CD2-CZ 4.06Å; F475-F485 HydrophobicContact CE2-CD2 4.45Å; F475-F485 AromaticContact CE2-CE2 3.49Å; F475-F485 HydrophobicContact CE2-CE2 3.49Å; F475-F485 VanDerWaalsContact CE2-CE2 3.49Å; F475-F485 AromaticContact CE2-CZ 3.83Å; F475-F485 HydrophobicContact CE2-CZ 3.83Å; F475-F485 HydrophobicContact CZ-CE2 4.22Å; F475-F485 HydrophobicContact CZ-CZ 4.48Å
476	A	93.3	Very high	92.1	Very high	65 Å²	65	57.1 Å²	57.1	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-38.8	177.6	0	0	0	0	0	112.6	L472 I473 R474 K481	L472-A476 VanDerWaalsContact O-CB 3.22Å; L472-A476 WeakPolarHBondContact O-CB 3.32Å; L472-A476 PolarHBondContact O-N 3.43Å; I473-A476 PolarHBondContact O-N 3.28Å; R474-A476 PolarHBondContact O-N 3.03Å; A476-K481 PolarHBondContact O-NZ 2.85Å
477	S	91.8	Very high	91.7	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-86.2	-16.2	-178.7	59.5	0	0	0	0	115.3	P310 Q315 I473 R474 F475	P310-S477 WeakPolarHBondContact CG-O 3.48Å; Q315-S477 VanDerWaalsContact CG-O 3.23Å; Q315-S477 WeakPolarHBondContact CG-O 3.25Å; Q315-S477 PolarHBondContact NE2-O 3.12Å; I473-S477 VanDerWaalsContact O-CB 3.3Å; I473-S477 WeakPolarHBondContact O-CB 3.44Å; I473-S477 PolarHBondContact O-N 2.99Å; I473-S477 PolarHBondContact O-OG 3.49Å; R474-S477 PolarHBondContact O-N 2.7Å; R474-S477 PolarHBondContact O-OG 2.98Å; F475-S477 VanDerWaalsContact C-N 3.35Å; F475-S477 PolarHBondContact O-N 3.31Å
478	S	90.4	Very high	91.5	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	32%	0.316	C	S	.	.			trans	-57.1	144.3	177.6	65.2	0	0	0	0	113.5	Q315 W319 R474 F475 K481	Q315-S478 PolarHBondContact NE2-O 3.31Å; W319-S478 VanDerWaalsContact CZ3-CA 3.44Å; R474-S478 WeakPolarHBondContact O-CB 3.49Å; R474-S478 PolarHBondContact O-N 3.5Å; F475-S478 PolarHBondContact O-N 3.35Å; F475-S478 PolarHBondContact O-OG 3.19Å; S478-K481 PolarHBondContact O-NZ 2.93Å; S478-K481 WeakPolarHBondContact OG-CD 3.16Å; S478-K481 PolarHBondContact OG-NZ 3.26Å
479	P	86.9	Confident	91.1	Very high	50 Å²	50	61.6 Å²	61.6	33%	0.325	32%	0.315	S	S	.	.	S	Bend	trans	-72.7	-43.2	177	28.7	-33.7	0	0	0	112.1	I308 P310	I308-P479 HydrophobicContact CB-CG 4.38Å; I308-P479 HydrophobicContact CG2-CB 4.1Å; I308-P479 HydrophobicContact CG2-CG 4.12Å; P310-P479 HydrophobicContact CG-CB 4.49Å
480	E	88.1	Confident	91	Very high	82 Å²	82	57 Å²	57	38%	0.383	30%	0.295	S	S	.	.			trans	-119.7	104.5	-176.3	-65.8	-167.2	163.9	0	0	111.2	I482 A483 F484 K697	E480-I482 VanDerWaalsContact C-N 3.34Å; E480-I482 PolarHBondContact O-N 3.25Å; E480-A483 HydrophobicContact CB-CB 3.86Å; E480-A483 PolarHBondContact O-N 3.36Å; E480-F484 PolarHBondContact O-N 2.93Å; E480-K697 IonicContact OE1-NZ 3.21Å; E480-K697 PolarHBondContact OE1-NZ 3.39Å
481	K	89.6	Confident	90.8	Very high	78 Å²	78	62.2 Å²	62.2	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-31.7	-170.1	-54.2	-48.6	-173.3	-168.8	0	114.5	F475 A476 S478 F484 F485	F475-K481 HydrophobicContact CE2-CB 3.97Å; F475-K481 HydrophobicContact CE2-CD 4.19Å; F475-K481 HydrophobicContact CE2-CG 4.47Å; F475-K481 HydrophobicContact CZ-CB 4.25Å; F475-K481 HydrophobicContact CZ-CD 4.36Å; F475-K481 HydrophobicContact CZ-CG 4.49Å; F475-K481 PolarHBondContact O-NZ 3.42Å; A476-K481 PolarHBondContact O-NZ 2.85Å; S478-K481 PolarHBondContact O-NZ 2.93Å; S478-K481 WeakPolarHBondContact OG-CD 3.16Å; S478-K481 PolarHBondContact OG-NZ 3.26Å; K481-F484 WeakPolarHBondContact O-CB 3.35Å; K481-F485 WeakPolarHBondContact O-CD2 3.13Å
482	I	89.5	Confident	90.7	Very high	137 Å²	137	62.6 Å²	62.6	70%	0.703	32%	0.319	S	S	*	.	H	α-helix	trans	-81.5	-38.8	179.9	-60.5	169.9	0	0	0	110.5	E480 F484 F485	E480-I482 VanDerWaalsContact C-N 3.34Å; E480-I482 PolarHBondContact O-N 3.25Å; I482-F484 PolarHBondContact O-N 3.12Å; I482-F485 PolarHBondContact O-N 3.18Å
483	A	89.1	Confident	90.5	Very high	42 Å²	42	57.5 Å²	57.5	35%	0.347	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-31.9	174.5	0	0	0	0	0	111.7	E480 F485 K486 N487	E480-A483 HydrophobicContact CB-CB 3.86Å; E480-A483 PolarHBondContact O-N 3.36Å; A483-F485 VanDerWaalsContact C-N 3.31Å; A483-F485 PolarHBondContact O-N 3.26Å; A483-K486 PolarHBondContact O-N 3.39Å; A483-N487 PolarHBondContact O-N 2.9Å
484	F	90.9	Very high	90.4	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-50.4	-46.7	174.7	-172.9	-95.4	0	0	0	113.1	W319 L471 R474 F475 E480 K481 I482 K486 N487 N490	W319-F484 HydrophobicContact CH2-CD2 4.25Å; W319-F484 HydrophobicContact CH2-CE2 4.28Å; W319-F484 HydrophobicContact CZ3-CD2 4.34Å; W319-F484 HydrophobicContact CZ3-CE2 4.13Å; L471-F484 HydrophobicContact CD1-CE1 3.88Å; L471-F484 HydrophobicContact CD1-CZ 4.01Å; R474-F484 HydrophobicContact CB-CE2 3.79Å; R474-F484 HydrophobicContact CB-CZ 3.8Å; F475-F484 HydrophobicContact CB-CD1 4.42Å; F475-F484 HydrophobicContact CB-CE1 4.01Å; F475-F484 HydrophobicContact CB-CZ 4.24Å; F475-F484 AromaticContact CD2-CD1 3.74Å; F475-F484 HydrophobicContact CD2-CD1 3.74Å; F475-F484 HydrophobicContact CD2-CE1 4.15Å; F475-F484 HydrophobicContact CD2-CG 4.19Å; E480-F484 PolarHBondContact O-N 2.93Å; K481-F484 WeakPolarHBondContact O-CB 3.35Å; I482-F484 PolarHBondContact O-N 3.12Å; F484-K486 VanDerWaalsContact C-N 3.32Å; F484-K486 PolarHBondContact O-N 3.31Å; F484-N487 PolarHBondContact O-N 2.71Å; F484-N490 HydrophobicContact CD1-CB 4.22Å; F484-N490 WeakPolarHBondContact CD2-ND2 3.47Å; F484-N490 HydrophobicContact CE1-CB 3.85Å; F484-N490 HydrophobicContact CE2-CB 4.33Å; F484-N490 VanDerWaalsContact CE2-CG 3.46Å; F484-N490 WeakPolarHBondContact CE2-ND2 3.49Å; F484-N490 HydrophobicContact CZ-CB 3.9Å; F484-N490 VanDerWaalsContact CZ-CG 3.46Å; F484-N490 WeakPolarHBondContact O-CB 3.48Å; F484-N490 PolarHBondContact O-ND2 3.34Å
485	F	89.5	Confident	90.3	Very high	109 Å²	109	58.7 Å²	58.7	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-75.1	-16.7	179.5	-67.8	-72.9	0	0	0	114.2	F475 K481 I482 A483 I494	F475-F485 HydrophobicContact CD2-CE2 4.06Å; F475-F485 HydrophobicContact CD2-CZ 4.06Å; F475-F485 HydrophobicContact CE2-CD2 4.45Å; F475-F485 AromaticContact CE2-CE2 3.49Å; F475-F485 HydrophobicContact CE2-CE2 3.49Å; F475-F485 VanDerWaalsContact CE2-CE2 3.49Å; F475-F485 AromaticContact CE2-CZ 3.83Å; F475-F485 HydrophobicContact CE2-CZ 3.83Å; F475-F485 HydrophobicContact CZ-CE2 4.22Å; F475-F485 HydrophobicContact CZ-CZ 4.48Å; K481-F485 WeakPolarHBondContact O-CD2 3.13Å; I482-F485 PolarHBondContact O-N 3.18Å; A483-F485 VanDerWaalsContact C-N 3.31Å; A483-F485 PolarHBondContact O-N 3.26Å; F485-I494 HydrophobicContact CD1-CD1 3.54Å; F485-I494 HydrophobicContact CE1-CD1 3.64Å
486	K	88.7	Confident	90.1	Very high	179 Å²	179	55.2 Å²	55.2	78%	0.778	29%	0.285	S	S	*	.	H	α-helix	trans	-82.2	-14.6	173.9	-66.5	-175.8	176.8	-177.8	0	113	A483 F484	A483-K486 PolarHBondContact O-N 3.39Å; F484-K486 VanDerWaalsContact C-N 3.32Å; F484-K486 PolarHBondContact O-N 3.31Å
487	N	88.3	Confident	90	Very high	61 Å²	61	53 Å²	53	33%	0.326	26%	0.264	S	S	.	.	S	Bend	trans	-78.6	121.7	177	-177.4	-23.8	0	0	0	110.2	A483 F484 M489 N490 F491	A483-N487 PolarHBondContact O-N 2.9Å; F484-N487 PolarHBondContact O-N 2.71Å; N487-M489 PolarHBondContact O-N 2.95Å; N487-M489 WeakPolarHBondContact OD1-CB 3.45Å; N487-M489 WeakPolarHBondContact OD1-CG 3.19Å; N487-M489 PolarHBondContact OD1-N 3.37Å; N487-N490 PolarHBondContact O-N 2.94Å; N487-N490 VanDerWaalsContact O-N 3.09Å; N487-F491 PolarHBondContact O-N 3.16Å
488	I	89.6	Confident	90	Very high	108 Å²	108	56.3 Å²	56.3	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-54.3	-34.7	-179.1	-173.4	59.4	0	0	0	113.3	F491 I492	I488-F491 HydrophobicContact CD1-CD1 4.37Å; I488-F491 PolarHBondContact O-N 3.35Å; I488-I492 HydrophobicContact CG1-CD1 4.2Å; I488-I492 WeakPolarHBondContact O-CD1 3.28Å; I488-I492 WeakPolarHBondContact O-CG1 3.26Å; I488-I492 PolarHBondContact O-N 3.45Å
489	M	87.7	Confident	89.8	Confident	34 Å²	34	56.2 Å²	56.2	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-38.1	-179	-47.8	-57.6	-89.9	0	0	111.4	N487 D493 S539 R540 Q546	N487-M489 PolarHBondContact O-N 2.95Å; N487-M489 WeakPolarHBondContact OD1-CB 3.45Å; N487-M489 WeakPolarHBondContact OD1-CG 3.19Å; N487-M489 PolarHBondContact OD1-N 3.37Å; M489-D493 PolarHBondContact O-N 3.12Å; M489-S539 WeakPolarHBondContact CE-O 3.45Å; M489-S539 VanDerWaalsContact CE-OG 3.28Å; M489-S539 WeakPolarHBondContact CE-OG 3.43Å; M489-R540 HydrophobicContact CE-CB 4.37Å; M489-Q546 HydrophobicContact CE-CG 3.93Å
490	N	92	Very high	89.8	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-76	-31.5	176	-59.9	-30.2	0	0	0	111.6	F484 N487 D493 I494 R540	F484-N490 HydrophobicContact CD1-CB 4.22Å; F484-N490 WeakPolarHBondContact CD2-ND2 3.47Å; F484-N490 HydrophobicContact CE1-CB 3.85Å; F484-N490 HydrophobicContact CE2-CB 4.33Å; F484-N490 VanDerWaalsContact CE2-CG 3.46Å; F484-N490 WeakPolarHBondContact CE2-ND2 3.49Å; F484-N490 HydrophobicContact CZ-CB 3.9Å; F484-N490 VanDerWaalsContact CZ-CG 3.46Å; F484-N490 WeakPolarHBondContact O-CB 3.48Å; F484-N490 PolarHBondContact O-ND2 3.34Å; N487-N490 PolarHBondContact O-N 2.94Å; N487-N490 VanDerWaalsContact O-N 3.09Å; N490-D493 WeakPolarHBondContact O-CB 3.49Å; N490-D493 PolarHBondContact O-N 2.94Å; N490-I494 WeakPolarHBondContact O-CD1 3.47Å; N490-I494 WeakPolarHBondContact O-CG1 3.27Å; N490-I494 PolarHBondContact O-N 3.32Å; N490-I494 VanDerWaalsContact O-N 3.15Å; N490-R540 PolarHBondContact OD1-NH2 2.95Å
491	F	90.9	Very high	89.9	Confident	111 Å²	111	56.4 Å²	56.4	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-41.9	172.5	-177.3	-98.8	0	0	0	111.6	N487 I488 I494 V495	N487-F491 PolarHBondContact O-N 3.16Å; I488-F491 HydrophobicContact CD1-CD1 4.37Å; I488-F491 PolarHBondContact O-N 3.35Å; F491-I494 WeakPolarHBondContact O-CB 3.41Å; F491-I494 PolarHBondContact O-N 3.17Å; F491-I494 VanDerWaalsContact O-N 3.15Å; F491-V495 HydrophobicContact CD1-CG2 4.13Å; F491-V495 HydrophobicContact CE1-CG2 3.68Å; F491-V495 HydrophobicContact CE2-CG2 4.42Å; F491-V495 HydrophobicContact CZ-CG2 3.84Å; F491-V495 WeakPolarHBondContact O-CG2 3.45Å; F491-V495 PolarHBondContact O-N 3.13Å
492	I	91.1	Very high	89.7	Confident	28 Å²	28	56 Å²	56	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-44.3	173.1	-69.3	160.3	0	0	0	111.2	I488 I494 V495 A496 F536	I488-I492 HydrophobicContact CG1-CD1 4.2Å; I488-I492 WeakPolarHBondContact O-CD1 3.28Å; I488-I492 WeakPolarHBondContact O-CG1 3.26Å; I488-I492 PolarHBondContact O-N 3.45Å; I492-I494 PolarHBondContact O-N 3.13Å; I492-V495 PolarHBondContact O-N 3.02Å; I492-A496 WeakPolarHBondContact O-CB 3.47Å; I492-A496 PolarHBondContact O-N 3.27Å; I492-F536 HydrophobicContact CD1-CB 4.17Å; I492-F536 HydrophobicContact CG1-CB 4.38Å; I492-F536 HydrophobicContact CG2-CB 3.69Å
493	D	91.6	Very high	89.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-57.2	-33.3	174.8	-84.2	-42.2	0	0	0	112.5	L471 R474 M489 N490 K537 R540	L471-D493 HydrophobicContact CD1-CB 4.05Å; R474-D493 IonicContact NH1-OD1 2.89Å; R474-D493 IonicContact NH1-OD2 2.81Å; R474-D493 PolarHBondContact NH1-OD2 3.02Å; R474-D493 VanDerWaalsContact NH1-OD2 3.17Å; M489-D493 PolarHBondContact O-N 3.12Å; N490-D493 WeakPolarHBondContact O-CB 3.49Å; N490-D493 PolarHBondContact O-N 2.94Å; D493-K537 WeakPolarHBondContact OD1-CD 3.49Å; D493-K537 WeakPolarHBondContact OD1-CE 3.45Å; D493-K537 WeakPolarHBondContact OD1-CG 3.39Å; D493-K537 IonicContact OD1-NZ 2.93Å; D493-K537 PolarHBondContact OD1-NZ 3.25Å; D493-R540 IonicContact OD2-CZ 2.95Å; D493-R540 IonicContact OD2-NE 3.47Å; D493-R540 PolarHBondContact OD2-NE 3.1Å; D493-R540 IonicContact OD2-NH2 2.7Å; D493-R540 PolarHBondContact OD2-NH2 3.21Å
494	I	92.2	Very high	89	Confident	35 Å²	35	50 Å²	50	18%	0.179	24%	0.24	C	C	.	.	H	α-helix	trans	-76.1	-48.4	177.5	-67.5	159.7	0	0	0	111.5	L471 F485 N490 F491 I492 A496 I497 I498	L471-I494 HydrophobicContact CD1-CG1 4.19Å; L471-I494 HydrophobicContact CD2-CG1 3.78Å; F485-I494 HydrophobicContact CD1-CD1 3.54Å; F485-I494 HydrophobicContact CE1-CD1 3.64Å; N490-I494 WeakPolarHBondContact O-CD1 3.47Å; N490-I494 WeakPolarHBondContact O-CG1 3.27Å; N490-I494 PolarHBondContact O-N 3.32Å; N490-I494 VanDerWaalsContact O-N 3.15Å; F491-I494 WeakPolarHBondContact O-CB 3.41Å; F491-I494 PolarHBondContact O-N 3.17Å; F491-I494 VanDerWaalsContact O-N 3.15Å; I492-I494 PolarHBondContact O-N 3.13Å; I494-A496 PolarHBondContact O-N 2.91Å; I494-I497 WeakPolarHBondContact O-CG1 3.19Å; I494-I497 PolarHBondContact O-N 2.93Å; I494-I497 VanDerWaalsContact O-N 3.12Å; I494-I498 HydrophobicContact CG2-CD1 3.8Å; I494-I498 HydrophobicContact CG2-CG1 4.33Å; I494-I498 WeakPolarHBondContact O-CG1 3.23Å; I494-I498 PolarHBondContact O-N 3.15Å
495	V	91	Very high	88.6	Confident	26 Å²	26	51.6 Å²	51.6	16%	0.158	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-32.7	178.9	176	0	0	0	0	111.3	F491 I492 I497 P499 V530 F533	F491-V495 HydrophobicContact CD1-CG2 4.13Å; F491-V495 HydrophobicContact CE1-CG2 3.68Å; F491-V495 HydrophobicContact CE2-CG2 4.42Å; F491-V495 HydrophobicContact CZ-CG2 3.84Å; F491-V495 WeakPolarHBondContact O-CG2 3.45Å; F491-V495 PolarHBondContact O-N 3.13Å; I492-V495 PolarHBondContact O-N 3.02Å; V495-I497 VanDerWaalsContact C-N 3.32Å; V495-I497 PolarHBondContact O-N 3.27Å; V495-P499 VanDerWaalsContact O-CD 3.29Å; V495-P499 WeakPolarHBondContact O-CD 3.31Å; V495-V530 HydrophobicContact CG1-CG1 3.86Å; V495-F533 HydrophobicContact CG1-CB 3.84Å; V495-F533 HydrophobicContact CG1-CD2 3.89Å; V495-F533 HydrophobicContact CG1-CG 3.91Å
496	A	90.4	Very high	87.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.2	176	0	0	0	0	0	114.9	I492 I494 R534	I492-A496 WeakPolarHBondContact O-CB 3.47Å; I492-A496 PolarHBondContact O-N 3.27Å; I494-A496 PolarHBondContact O-N 2.91Å; A496-R534 HydrophobicContact CB-CB 4.49Å; A496-R534 HydrophobicContact CB-CG 3.78Å; A496-R534 PolarHBondContact O-NE 2.95Å
497	I	91.4	Very high	87.1	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.087	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-29.2	-175.8	62.7	167.4	0	0	0	114	I464 F467 L471 I494 V495 Y500 F501	I464-I497 HydrophobicContact CD1-CB 4.4Å; I464-I497 HydrophobicContact CD1-CG2 4.16Å; F467-I497 HydrophobicContact CB-CG2 3.67Å; L471-I497 HydrophobicContact CD2-CD1 3.65Å; I494-I497 WeakPolarHBondContact O-CG1 3.19Å; I494-I497 PolarHBondContact O-N 2.93Å; I494-I497 VanDerWaalsContact O-N 3.12Å; V495-I497 VanDerWaalsContact C-N 3.32Å; V495-I497 PolarHBondContact O-N 3.27Å; I497-Y500 PolarHBondContact O-N 3.48Å; I497-F501 HydrophobicContact CB-CD2 4.39Å; I497-F501 HydrophobicContact CB-CE2 4.15Å; I497-F501 HydrophobicContact CD1-CE2 4.13Å; I497-F501 HydrophobicContact CG1-CE2 4.45Å; I497-F501 WeakPolarHBondContact O-CD2 3.4Å
498	I	90.2	Very high	86.5	Confident	73 Å²	73	44 Å²	44	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-47.7	-44.8	-177.2	-78.1	169.9	0	0	0	114.4	I494 Y500 F501 I502	I494-I498 HydrophobicContact CG2-CD1 3.8Å; I494-I498 HydrophobicContact CG2-CG1 4.33Å; I494-I498 WeakPolarHBondContact O-CG1 3.23Å; I494-I498 PolarHBondContact O-N 3.15Å; I498-Y500 VanDerWaalsContact C-N 3.27Å; I498-Y500 PolarHBondContact O-N 3.23Å; I498-F501 PolarHBondContact O-N 3.12Å; I498-I502 HydrophobicContact CG2-CD1 3.45Å; I498-I502 VanDerWaalsContact CG2-CD1 3.45Å; I498-I502 HydrophobicContact CG2-CG1 4.08Å; I498-I502 WeakPolarHBondContact O-CG1 3.13Å; I498-I502 PolarHBondContact O-N 3.01Å
499	P	87	Confident	85.8	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-34	-174.6	-28.6	38.9	0	0	0	114.2	V495 T503 I527 V530 R531	V495-P499 VanDerWaalsContact O-CD 3.29Å; V495-P499 WeakPolarHBondContact O-CD 3.31Å; P499-T503 WeakPolarHBondContact O-CB 3.41Å; P499-T503 PolarHBondContact O-N 3.29Å; P499-T503 VanDerWaalsContact O-N 3.08Å; P499-T503 PolarHBondContact O-OG1 3.19Å; P499-I527 HydrophobicContact CB-CG2 3.81Å; P499-V530 HydrophobicContact CG-CB 3.59Å; P499-V530 HydrophobicContact CG-CG1 3.52Å; P499-R531 HydrophobicContact CB-CG 4.06Å
500	Y	88.1	Confident	84.7	Confident	30 Å²	30	42 Å²	42	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-68.6	-48.9	177.9	175	-91.6	0	0	0	110.8	F457 E460 T461 I464 I497 I498 I502 T503 V504	F457-Y500 HydrophobicContact CE2-CE2 4.21Å; F457-Y500 HydrophobicContact CZ-CE2 4.31Å; E460-Y500 HydrophobicContact CG-CD2 4.14Å; T461-Y500 WeakPolarHBondContact CG2-OH 3.19Å; T461-Y500 WeakPolarHBondContact OG1-CE2 2.96Å; T461-Y500 PolarHBondContact OG1-OH 3.07Å; T461-Y500 VanDerWaalsContact OG1-OH 3.1Å; I464-Y500 HydrophobicContact CB-CD1 4.24Å; I464-Y500 HydrophobicContact CB-CD2 4.47Å; I464-Y500 HydrophobicContact CB-CG 4.12Å; I464-Y500 HydrophobicContact CG1-CD2 4.21Å; I464-Y500 HydrophobicContact CG1-CG 3.97Å; I464-Y500 HydrophobicContact CG2-CD1 3.56Å; I464-Y500 HydrophobicContact CG2-CE1 4.18Å; I464-Y500 HydrophobicContact CG2-CG 3.81Å; I497-Y500 PolarHBondContact O-N 3.48Å; I498-Y500 VanDerWaalsContact C-N 3.27Å; I498-Y500 PolarHBondContact O-N 3.23Å; Y500-I502 VanDerWaalsContact C-N 3.33Å; Y500-I502 PolarHBondContact O-N 3.3Å; Y500-T503 WeakPolarHBondContact O-CB 3.38Å; Y500-T503 PolarHBondContact O-N 3.42Å; Y500-T503 VanDerWaalsContact O-N 3.16Å; Y500-V504 HydrophobicContact CD1-CG2 4.32Å; Y500-V504 HydrophobicContact CE1-CG2 3.85Å; Y500-V504 HydrophobicContact CE2-CG2 4.13Å; Y500-V504 WeakPolarHBondContact O-CG2 3.43Å; Y500-V504 PolarHBondContact O-N 3.24Å
501	F	89.2	Confident	83.1	Confident	105 Å²	105	50.7 Å²	50.7	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-33.4	180	-69.8	-71.9	0	0	0	113	I464 T468 I497 I498 G505	I464-F501 HydrophobicContact CG2-CE2 4.04Å; I464-F501 HydrophobicContact CG2-CZ 4.31Å; T468-F501 HydrophobicContact CG2-CZ 4.29Å; I497-F501 HydrophobicContact CB-CD2 4.39Å; I497-F501 HydrophobicContact CB-CE2 4.15Å; I497-F501 HydrophobicContact CD1-CE2 4.13Å; I497-F501 HydrophobicContact CG1-CE2 4.45Å; I497-F501 WeakPolarHBondContact O-CD2 3.4Å; I498-F501 PolarHBondContact O-N 3.12Å; F501-G505 PolarHBondContact O-N 3.28Å
502	I	85.4	Confident	81.6	Confident	69 Å²	69	49.5 Å²	49.5	35%	0.354	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-46.3	171.6	-60.2	169.2	0	0	0	110.4	I498 Y500 V504 G505 T506 I527	I498-I502 HydrophobicContact CG2-CD1 3.45Å; I498-I502 VanDerWaalsContact CG2-CD1 3.45Å; I498-I502 HydrophobicContact CG2-CG1 4.08Å; I498-I502 WeakPolarHBondContact O-CG1 3.13Å; I498-I502 PolarHBondContact O-N 3.01Å; Y500-I502 VanDerWaalsContact C-N 3.33Å; Y500-I502 PolarHBondContact O-N 3.3Å; I502-V504 PolarHBondContact O-N 3.09Å; I502-G505 PolarHBondContact O-N 2.7Å; I502-G505 VanDerWaalsContact O-N 3.13Å; I502-T506 HydrophobicContact CG2-CG2 4.43Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 3.34Å; I502-T506 VanDerWaalsContact O-OG1 3.14Å; I502-I527 HydrophobicContact CD1-CD1 4.42Å; I502-I527 HydrophobicContact CG2-CD1 3.69Å
503	T	80.4	Confident	79.9	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-46.8	179.8	-59.7	0	0	0	0	111.9	P499 Y500 T506 M507	P499-T503 WeakPolarHBondContact O-CB 3.41Å; P499-T503 PolarHBondContact O-N 3.29Å; P499-T503 VanDerWaalsContact O-N 3.08Å; P499-T503 PolarHBondContact O-OG1 3.19Å; Y500-T503 WeakPolarHBondContact O-CB 3.38Å; Y500-T503 PolarHBondContact O-N 3.42Å; Y500-T503 VanDerWaalsContact O-N 3.16Å; T503-T506 PolarHBondContact O-N 3.3Å; T503-T506 PolarHBondContact O-OG1 3.15Å; T503-M507 HydrophobicContact CG2-CE 3.4Å; T503-M507 HydrophobicContact CG2-SD 4.11Å; T503-M507 VanDerWaalsContact O-CG 3.27Å; T503-M507 WeakPolarHBondContact O-CG 3.37Å; T503-M507 PolarHBondContact O-N 2.7Å; T503-M507 VanDerWaalsContact O-N 3.15Å
504	V	83.1	Confident	78.2	Confident	45 Å²	45	59.3 Å²	59.3	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-41.1	174.9	175.2	0	0	0	0	111.2	F457 Y500 I502 T506 M507 V508	F457-V504 HydrophobicContact CZ-CG2 4.3Å; Y500-V504 HydrophobicContact CD1-CG2 4.32Å; Y500-V504 HydrophobicContact CE1-CG2 3.85Å; Y500-V504 HydrophobicContact CE2-CG2 4.13Å; Y500-V504 WeakPolarHBondContact O-CG2 3.43Å; Y500-V504 PolarHBondContact O-N 3.24Å; I502-V504 PolarHBondContact O-N 3.09Å; V504-T506 VanDerWaalsContact C-N 3.33Å; V504-T506 PolarHBondContact O-N 2.95Å; V504-M507 PolarHBondContact O-N 3.05Å; V504-V508 WeakPolarHBondContact O-CG2 3.3Å; V504-V508 PolarHBondContact O-N 2.75Å; V504-V508 VanDerWaalsContact O-N 3.12Å
505	G	82.4	Confident	76.4	Confident	41 Å²	41	66.5 Å²	66.5	42%	0.423	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-37.3	177.9	0	0	0	0	0	113.6	F501 I502 A509	F501-G505 PolarHBondContact O-N 3.28Å; I502-G505 PolarHBondContact O-N 2.7Å; I502-G505 VanDerWaalsContact O-N 3.13Å; G505-A509 WeakPolarHBondContact O-CB 3.28Å; G505-A509 PolarHBondContact O-N 3.02Å; G505-A509 VanDerWaalsContact O-N 3.11Å
506	T	75.7	Confident	74.7	Confident	30 Å²	30	70.9 Å²	70.9	18%	0.184	39%	0.387	C	S	.	.	H	α-helix	trans	-71	-42.4	174.3	46.2	0	0	0	0	112.2	I502 T503 V504 V508 A509 D510 L524	I502-T506 HydrophobicContact CG2-CG2 4.43Å; I502-T506 PolarHBondContact O-N 3.47Å; I502-T506 PolarHBondContact O-OG1 3.34Å; I502-T506 VanDerWaalsContact O-OG1 3.14Å; T503-T506 PolarHBondContact O-N 3.3Å; T503-T506 PolarHBondContact O-OG1 3.15Å; V504-T506 VanDerWaalsContact C-N 3.33Å; V504-T506 PolarHBondContact O-N 2.95Å; T506-V508 PolarHBondContact O-N 3.33Å; T506-A509 PolarHBondContact O-N 2.82Å; T506-D510 PolarHBondContact O-N 3.33Å; T506-L524 HydrophobicContact CG2-CD1 4.21Å; T506-L524 HydrophobicContact CG2-CD2 3.97Å; T506-L524 HydrophobicContact CG2-CG 4.35Å; T506-L524 WeakPolarHBondContact OG1-CD1 3.42Å; T506-L524 VanDerWaalsContact OG1-CD2 3.3Å; T506-L524 WeakPolarHBondContact OG1-CD2 3.21Å
507	M	71.5	Confident	73.1	Confident	53 Å²	53	73.6 Å²	73.6	26%	0.261	40%	0.4	S	S	.	.	H	α-helix	trans	-57.3	-38.7	176.8	-71.1	159.3	178.6	0	0	112.6	P450 T503 V504	P450-M507 VanDerWaalsContact CD-CE 3.48Å; P450-M507 HydrophobicContact CG-CE 3.39Å; T503-M507 HydrophobicContact CG2-CE 3.4Å; T503-M507 HydrophobicContact CG2-SD 4.11Å; T503-M507 VanDerWaalsContact O-CG 3.27Å; T503-M507 WeakPolarHBondContact O-CG 3.37Å; T503-M507 PolarHBondContact O-N 2.7Å; T503-M507 VanDerWaalsContact O-N 3.15Å; V504-M507 PolarHBondContact O-N 3.05Å
508	V	76.4	Confident	71.2	Confident	105 Å²	105	77 Å²	77	64%	0.636	43%	0.43	S	S	*	.	H	α-helix	trans	-75.2	-32	176	176	0	0	0	0	111.9	V504 T506	V504-V508 WeakPolarHBondContact O-CG2 3.3Å; V504-V508 PolarHBondContact O-N 2.75Å; V504-V508 VanDerWaalsContact O-N 3.12Å; T506-V508 PolarHBondContact O-N 3.33Å
509	A	73.4	Confident	69.4	Low	49 Å²	49	80.2 Å²	80.2	41%	0.405	45%	0.446	S	S	.	.	H	α-helix	trans	-74	-30.8	178.4	0	0	0	0	0	113.3	G505 T506 E511 S512	G505-A509 WeakPolarHBondContact O-CB 3.28Å; G505-A509 PolarHBondContact O-N 3.02Å; G505-A509 VanDerWaalsContact O-N 3.11Å; T506-A509 PolarHBondContact O-N 2.82Å; A509-E511 PolarHBondContact O-N 2.89Å; A509-S512 PolarHBondContact O-N 3.43Å; A509-S512 PolarHBondContact O-OG 3.41Å
510	D	65.3	Low	68.3	Low	51 Å²	51	81.6 Å²	81.6	27%	0.273	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.1	-175.3	-74.3	-30.5	0	0	0	113.4	T506 S512	T506-D510 PolarHBondContact O-N 3.33Å; D510-S512 PolarHBondContact O-N 2.98Å; D510-S512 VanDerWaalsContact O-N 3.15Å
511	E	59.4	Low	67.1	Low	185 Å²	185	82.6 Å²	82.6	86%	0.864	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.5	170.4	-67.7	-164.3	151.6	0	0	113.7	A509	A509-E511 PolarHBondContact O-N 2.89Å
512	S	57.8	Low	66	Low	86 Å²	86	80.3 Å²	80.3	60%	0.601	46%	0.463	S	S	*	.	S	Bend	trans	-113	-16.8	-166.4	71.9	0	0	0	0	116.6	A509 D510	A509-S512 PolarHBondContact O-N 3.43Å; A509-S512 PolarHBondContact O-OG 3.41Å; D510-S512 PolarHBondContact O-N 2.98Å; D510-S512 VanDerWaalsContact O-N 3.15Å
513	K	56.3	Low	65.3	Low	148 Å²	148	81.4 Å²	81.4	64%	0.643	47%	0.469	S	S	*	.			trans	-151.6	91.2	-171.9	-65.7	-176.1	-176.1	174	0	113.9	Q515	K513-Q515 PolarHBondContact O-N 3.04Å; K513-Q515 VanDerWaalsContact O-N 3.16Å
514	S	55.9	Low	64.7	Low	88 Å²	88	82 Å²	82	62%	0.615	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.1	177.8	63.1	0	0	0	0	115.2	N516 Q517	S514-N516 PolarHBondContact O-N 3.38Å; S514-Q517 PolarHBondContact O-OE1 3.23Å
515	Q	54	Low	64	Low	185 Å²	185	85.2 Å²	85.2	86%	0.864	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-82	-7.6	-165.5	-141.9	169.9	0.9	0	0	115.8	K513	K513-Q515 PolarHBondContact O-N 3.04Å; K513-Q515 VanDerWaalsContact O-N 3.16Å
516	N	56.3	Low	63.6	Low	118 Å²	118	87.8 Å²	87.8	63%	0.631	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-117.6	4.5	-177.1	-75.5	-15.4	0	0	0	114.8	S514 A518 M519 S520	S514-N516 PolarHBondContact O-N 3.38Å; N516-A518 VanDerWaalsContact C-N 3.33Å; N516-A518 PolarHBondContact O-N 3.17Å; N516-M519 PolarHBondContact O-N 3.35Å; N516-S520 PolarHBondContact O-N 3.25Å
517	Q	55.6	Low	63.8	Low	57 Å²	57	87.6 Å²	87.6	27%	0.266	48%	0.483	S	S	.	.	H	α-helix	trans	-57.4	-35.5	-166.9	-72.1	178.6	-50.3	0	0	114.9	N416 S514 M519 S520 L521	N416-Q517 PolarHBondContact OD1-NE2 3.06Å; N416-Q517 VanDerWaalsContact OD1-NE2 3.14Å; S514-Q517 PolarHBondContact O-OE1 3.23Å; Q517-M519 VanDerWaalsContact C-N 3.33Å; Q517-M519 PolarHBondContact O-N 2.99Å; Q517-S520 WeakPolarHBondContact CA-OG 3.19Å; Q517-S520 PolarHBondContact O-N 3.02Å; Q517-S520 PolarHBondContact O-OG 3.03Å; Q517-L521 WeakPolarHBondContact O-CG 3.4Å; Q517-L521 PolarHBondContact O-N 2.82Å
518	A	52.5	Low	64.1	Low	88 Å²	88	88.2 Å²	88.2	73%	0.727	48%	0.483	S	S	*	.	H	α-helix	trans	-65.2	-33.8	-177.2	0	0	0	0	0	113.5	N516	N516-A518 VanDerWaalsContact C-N 3.33Å; N516-A518 PolarHBondContact O-N 3.17Å
519	M	52.1	Low	64.3	Low	142 Å²	142	88.7 Å²	88.7	70%	0.7	48%	0.481	S	S	*	.	H	α-helix	trans	-83.4	-35	-179.7	-165.9	-179	-67.5	0	0	111.8	N516 Q517 I523	N516-M519 PolarHBondContact O-N 3.35Å; Q517-M519 VanDerWaalsContact C-N 3.33Å; Q517-M519 PolarHBondContact O-N 2.99Å; M519-I523 HydrophobicContact CG-CD1 3.98Å; M519-I523 WeakPolarHBondContact O-CD1 3.46Å; M519-I523 VanDerWaalsContact O-CG1 3.32Å; M519-I523 WeakPolarHBondContact O-CG1 3.37Å; M519-I523 PolarHBondContact O-N 3.01Å
520	S	63.1	Low	64.9	Low	29 Å²	29	88.5 Å²	88.5	20%	0.203	48%	0.475	C	S	.	.	H	α-helix	trans	-65.1	-44	177.6	53.4	0	0	0	0	111.9	N516 Q517 A522 I523 L524	N516-S520 PolarHBondContact O-N 3.25Å; Q517-S520 WeakPolarHBondContact CA-OG 3.19Å; Q517-S520 PolarHBondContact O-N 3.02Å; Q517-S520 PolarHBondContact O-OG 3.03Å; S520-A522 PolarHBondContact O-N 3.44Å; S520-I523 PolarHBondContact O-N 2.89Å; S520-L524 WeakPolarHBondContact O-CB 3.33Å; S520-L524 VanDerWaalsContact O-CG 3.32Å; S520-L524 WeakPolarHBondContact O-CG 3.35Å; S520-L524 PolarHBondContact O-N 3.1Å
521	L	64.1	Low	65.9	Low	52 Å²	52	86.6 Å²	86.6	27%	0.272	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-42.6	179.4	-68.7	172.9	0	0	0	112.9	Q517 L524 R525	Q517-L521 WeakPolarHBondContact O-CG 3.4Å; Q517-L521 PolarHBondContact O-N 2.82Å; L521-L524 PolarHBondContact O-N 3.17Å; L521-R525 WeakPolarHBondContact O-CG 3.48Å; L521-R525 PolarHBondContact O-N 2.91Å; L521-R525 VanDerWaalsContact O-N 3.12Å
522	A	65.2	Low	67.2	Low	57 Å²	57	81.3 Å²	81.3	47%	0.471	44%	0.444	S	S	.	.	H	α-helix	trans	-63.9	-42.6	176.7	0	0	0	0	0	112.2	S520 R525 V526	S520-A522 PolarHBondContact O-N 3.44Å; A522-R525 PolarHBondContact O-N 2.91Å; A522-V526 PolarHBondContact O-N 2.93Å
523	I	70	Confident	68.6	Low	92 Å²	92	82 Å²	82	47%	0.472	44%	0.436	S	S	.	.	H	α-helix	trans	-65.8	-39.2	177.3	-67.7	168.2	0	0	0	110.7	M519 S520 R525 V526 I527	M519-I523 HydrophobicContact CG-CD1 3.98Å; M519-I523 WeakPolarHBondContact O-CD1 3.46Å; M519-I523 VanDerWaalsContact O-CG1 3.32Å; M519-I523 WeakPolarHBondContact O-CG1 3.37Å; M519-I523 PolarHBondContact O-N 3.01Å; S520-I523 PolarHBondContact O-N 2.89Å; I523-R525 PolarHBondContact O-N 3.35Å; I523-V526 PolarHBondContact O-N 2.75Å; I523-V526 VanDerWaalsContact O-N 3.14Å; I523-I527 HydrophobicContact CG2-CD1 3.72Å; I523-I527 HydrophobicContact CG2-CG1 4.34Å; I523-I527 WeakPolarHBondContact O-CG1 3.29Å; I523-I527 PolarHBondContact O-N 3.45Å
524	L	69	Low	70.1	Confident	22 Å²	22	75.2 Å²	75.2	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-38.9	176.4	-75.8	167.9	0	0	0	113.1	T506 S520 L521 V526 I527 R528	T506-L524 HydrophobicContact CG2-CD1 4.21Å; T506-L524 HydrophobicContact CG2-CD2 3.97Å; T506-L524 HydrophobicContact CG2-CG 4.35Å; T506-L524 WeakPolarHBondContact OG1-CD1 3.42Å; T506-L524 VanDerWaalsContact OG1-CD2 3.3Å; T506-L524 WeakPolarHBondContact OG1-CD2 3.21Å; S520-L524 WeakPolarHBondContact O-CB 3.33Å; S520-L524 VanDerWaalsContact O-CG 3.32Å; S520-L524 WeakPolarHBondContact O-CG 3.35Å; S520-L524 PolarHBondContact O-N 3.1Å; L521-L524 PolarHBondContact O-N 3.17Å; L524-V526 VanDerWaalsContact C-N 3.31Å; L524-V526 PolarHBondContact O-N 3.47Å; L524-I527 HydrophobicContact CD2-CD1 4.22Å; L524-I527 PolarHBondContact O-N 2.87Å; L524-R528 PolarHBondContact O-N 3.08Å
525	R	68.4	Low	71.7	Confident	112 Å²	112	74.6 Å²	74.6	42%	0.423	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-39	173.1	-70.1	176.4	177.1	-147.4	-0.5	111.8	E446 D448 L521 A522 I523 R528	E446-R525 IonicContact OE2-CZ 2.83Å; E446-R525 IonicContact OE2-NH1 2.8Å; E446-R525 PolarHBondContact OE2-NH1 3.45Å; E446-R525 IonicContact OE2-NH2 3.77Å; E446-R525 PolarHBondContact OE2-NH2 3.11Å; D448-R525 IonicContact OD1-NH2 3.53Å; D448-R525 IonicContact OD2-CZ 3.86Å; D448-R525 IonicContact OD2-NE 2.97Å; D448-R525 PolarHBondContact OD2-NE 3.47Å; D448-R525 IonicContact OD2-NH2 2.96Å; D448-R525 PolarHBondContact OD2-NH2 3.13Å; L521-R525 WeakPolarHBondContact O-CG 3.48Å; L521-R525 PolarHBondContact O-N 2.91Å; L521-R525 VanDerWaalsContact O-N 3.12Å; A522-R525 PolarHBondContact O-N 2.91Å; I523-R525 PolarHBondContact O-N 3.35Å; R525-R528 PolarHBondContact O-N 3.16Å
526	V	73.8	Confident	73.4	Confident	94 Å²	94	70.1 Å²	70.1	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-70.4	-38.3	175.1	179.8	0	0	0	0	111.8	A522 I523 L524 R528 L529	A522-V526 PolarHBondContact O-N 2.93Å; I523-V526 PolarHBondContact O-N 2.75Å; I523-V526 VanDerWaalsContact O-N 3.14Å; L524-V526 VanDerWaalsContact C-N 3.31Å; L524-V526 PolarHBondContact O-N 3.47Å; V526-R528 PolarHBondContact O-N 3.44Å; V526-L529 VanDerWaalsContact O-CB 3.31Å; V526-L529 WeakPolarHBondContact O-CB 3.32Å; V526-L529 PolarHBondContact O-N 3.4Å
527	I	80	Confident	74.9	Confident	26 Å²	26	64.7 Å²	64.7	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-32.3	177.1	-70.7	160	0	0	0	111.8	P499 I502 I523 L524 L529 V530	P499-I527 HydrophobicContact CB-CG2 3.81Å; I502-I527 HydrophobicContact CD1-CD1 4.42Å; I502-I527 HydrophobicContact CG2-CD1 3.69Å; I523-I527 HydrophobicContact CG2-CD1 3.72Å; I523-I527 HydrophobicContact CG2-CG1 4.34Å; I523-I527 WeakPolarHBondContact O-CG1 3.29Å; I523-I527 PolarHBondContact O-N 3.45Å; L524-I527 HydrophobicContact CD2-CD1 4.22Å; L524-I527 PolarHBondContact O-N 2.87Å; I527-L529 PolarHBondContact O-N 3.21Å; I527-V530 WeakPolarHBondContact O-CB 3.36Å; I527-V530 PolarHBondContact O-N 2.94Å
528	R	77.3	Confident	76.4	Confident	66 Å²	66	64.1 Å²	64.1	25%	0.249	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-29.1	174	-65.5	-172	-167.3	-177.7	12.6	112.7	E352 D448 L524 R525 V526 V530 R531	E352-R528 IonicContact OE1-NH1 2.63Å; E352-R528 PolarHBondContact OE1-NH1 3.14Å; D448-R528 PolarHBondContact O-NH2 3.01Å; D448-R528 VanDerWaalsContact O-NH2 3.07Å; D448-R528 IonicContact OD1-NH2 2.86Å; L524-R528 PolarHBondContact O-N 3.08Å; R525-R528 PolarHBondContact O-N 3.16Å; V526-R528 PolarHBondContact O-N 3.44Å; R528-V530 VanDerWaalsContact C-N 3.26Å; R528-V530 PolarHBondContact O-N 3.38Å; R528-R531 WeakPolarHBondContact O-CB 3.4Å; R528-R531 WeakPolarHBondContact O-CG 3.42Å; R528-R531 PolarHBondContact O-N 3.1Å; R528-R531 VanDerWaalsContact O-N 3.16Å
529	L	81.4	Confident	78.1	Confident	116 Å²	116	60.4 Å²	60.4	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-65.9	-27.7	174.4	-60.8	177.5	0	0	0	112.7	V526 I527 R531 V532	V526-L529 VanDerWaalsContact O-CB 3.31Å; V526-L529 WeakPolarHBondContact O-CB 3.32Å; V526-L529 PolarHBondContact O-N 3.4Å; I527-L529 PolarHBondContact O-N 3.21Å; L529-R531 PolarHBondContact O-N 3.36Å; L529-V532 VanDerWaalsContact O-CB 3.27Å; L529-V532 WeakPolarHBondContact O-CB 3.48Å; L529-V532 VanDerWaalsContact O-CG2 3.29Å; L529-V532 WeakPolarHBondContact O-CG2 3.37Å; L529-V532 PolarHBondContact O-N 2.71Å
530	V	85.3	Confident	79.6	Confident	44 Å²	44	54.8 Å²	54.8	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-67.2	-21	177.1	-176.9	0	0	0	0	111.1	V495 P499 I527 R528 V532 F533	V495-V530 HydrophobicContact CG1-CG1 3.86Å; P499-V530 HydrophobicContact CG-CB 3.59Å; P499-V530 HydrophobicContact CG-CG1 3.52Å; I527-V530 WeakPolarHBondContact O-CB 3.36Å; I527-V530 PolarHBondContact O-N 2.94Å; R528-V530 VanDerWaalsContact C-N 3.26Å; R528-V530 PolarHBondContact O-N 3.38Å; V530-V532 PolarHBondContact O-N 3.01Å; V530-V532 VanDerWaalsContact O-N 3.16Å; V530-F533 HydrophobicContact CB-CD2 4.37Å; V530-F533 HydrophobicContact CG1-CD2 3.88Å; V530-F533 HydrophobicContact CG1-CE2 4.42Å; V530-F533 WeakPolarHBondContact O-CD2 3.44Å; V530-F533 PolarHBondContact O-N 3.48Å; V530-F533 VanDerWaalsContact O-N 3.08Å
531	R	87.2	Confident	80.6	Confident	12 Å²	12	55.6 Å²	55.6	5%	0.045	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-56	-29.2	170.2	-63.9	176.3	167.5	155.8	-1	112	F349 E352 E460 P499 R528 L529 F533 R534	F349-R531 HydrophobicContact CD2-CB 4.04Å; F349-R531 HydrophobicContact CE2-CB 4Å; E352-R531 IonicContact OE1-CZ 3.76Å; E352-R531 IonicContact OE1-NH1 2.73Å; E352-R531 PolarHBondContact OE1-NH1 3.28Å; E352-R531 IonicContact OE2-CZ 2.74Å; E352-R531 IonicContact OE2-NH1 3.23Å; E352-R531 PolarHBondContact OE2-NH1 2.88Å; E460-R531 IonicContact OE1-CZ 3.21Å; E460-R531 IonicContact OE1-NE 3.09Å; E460-R531 PolarHBondContact OE1-NE 2.88Å; E460-R531 IonicContact OE1-NH2 2.68Å; E460-R531 IonicContact OE2-CZ 3.87Å; E460-R531 VanDerWaalsContact OE2-CZ 3.28Å; E460-R531 IonicContact OE2-NE 3.5Å; E460-R531 PolarHBondContact OE2-NE 3.42Å; E460-R531 IonicContact OE2-NH2 3.41Å; E460-R531 PolarHBondContact OE2-NH2 3.25Å; P499-R531 HydrophobicContact CB-CG 4.06Å; R528-R531 WeakPolarHBondContact O-CB 3.4Å; R528-R531 WeakPolarHBondContact O-CG 3.42Å; R528-R531 PolarHBondContact O-N 3.1Å; R528-R531 VanDerWaalsContact O-N 3.16Å; L529-R531 PolarHBondContact O-N 3.36Å; R531-F533 PolarHBondContact O-N 3.39Å; R531-R534 VanDerWaalsContact O-CB 3.25Å; R531-R534 WeakPolarHBondContact O-CB 3.26Å; R531-R534 WeakPolarHBondContact O-CD 3.1Å; R531-R534 WeakPolarHBondContact O-CG 3.48Å; R531-R534 PolarHBondContact O-N 2.73Å; R531-R534 VanDerWaalsContact O-N 3.12Å
532	V	86	Confident	81.7	Confident	74 Å²	74	55.5 Å²	55.5	45%	0.448	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.8	177.9	179.3	0	0	0	0	111.9	F349 L529 V530 R534 I535	F349-V532 HydrophobicContact CE1-CG2 3.64Å; F349-V532 HydrophobicContact CZ-CG2 3.78Å; L529-V532 VanDerWaalsContact O-CB 3.27Å; L529-V532 WeakPolarHBondContact O-CB 3.48Å; L529-V532 VanDerWaalsContact O-CG2 3.29Å; L529-V532 WeakPolarHBondContact O-CG2 3.37Å; L529-V532 PolarHBondContact O-N 2.71Å; V530-V532 PolarHBondContact O-N 3.01Å; V530-V532 VanDerWaalsContact O-N 3.16Å; V532-R534 PolarHBondContact O-N 2.92Å; V532-I535 WeakPolarHBondContact O-CB 3.24Å; V532-I535 WeakPolarHBondContact O-CG2 3.32Å; V532-I535 PolarHBondContact O-N 2.99Å
533	F	86.4	Confident	82.6	Confident	99 Å²	99	56.5 Å²	56.5	43%	0.434	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.5	-16.7	179.1	-72.1	-75.6	0	0	0	113.9	V495 V530 R531 I535 F536	V495-F533 HydrophobicContact CG1-CB 3.84Å; V495-F533 HydrophobicContact CG1-CD2 3.89Å; V495-F533 HydrophobicContact CG1-CG 3.91Å; V530-F533 HydrophobicContact CB-CD2 4.37Å; V530-F533 HydrophobicContact CG1-CD2 3.88Å; V530-F533 HydrophobicContact CG1-CE2 4.42Å; V530-F533 WeakPolarHBondContact O-CD2 3.44Å; V530-F533 PolarHBondContact O-N 3.48Å; V530-F533 VanDerWaalsContact O-N 3.08Å; R531-F533 PolarHBondContact O-N 3.39Å; F533-I535 PolarHBondContact O-N 3.22Å; F533-I535 VanDerWaalsContact O-N 3.13Å; F533-F536 AromaticContact CD1-CD2 3.8Å; F533-F536 HydrophobicContact CD1-CD2 3.8Å; F533-F536 AromaticContact CD1-CE2 3.87Å; F533-F536 HydrophobicContact CD1-CE2 3.87Å; F533-F536 HydrophobicContact CE1-CE2 4.3Å; F533-F536 PolarHBondContact O-N 3.22Å
534	R	88.1	Confident	83.5	Confident	7 Å²	7	54 Å²	54	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-53.5	-29.3	170.3	-68.1	170.7	-176.4	167	7.9	112.4	E460 F467 A496 R531 V532 F536 K537	E460-R534 IonicContact OE1-CZ 3.04Å; E460-R534 IonicContact OE1-NH1 2.78Å; E460-R534 PolarHBondContact OE1-NH1 3.24Å; E460-R534 IonicContact OE1-NH2 3.54Å; E460-R534 PolarHBondContact OE1-NH2 3.32Å; F467-R534 HydrophobicContact CE2-CG 4.47Å; A496-R534 HydrophobicContact CB-CB 4.49Å; A496-R534 HydrophobicContact CB-CG 3.78Å; A496-R534 PolarHBondContact O-NE 2.95Å; R531-R534 VanDerWaalsContact O-CB 3.25Å; R531-R534 WeakPolarHBondContact O-CB 3.26Å; R531-R534 WeakPolarHBondContact O-CD 3.1Å; R531-R534 WeakPolarHBondContact O-CG 3.48Å; R531-R534 PolarHBondContact O-N 2.73Å; R531-R534 VanDerWaalsContact O-N 3.12Å; V532-R534 PolarHBondContact O-N 2.92Å; R534-F536 VanDerWaalsContact C-N 3.27Å; R534-F536 PolarHBondContact O-N 3.48Å; R534-K537 WeakPolarHBondContact O-CB 3.27Å; R534-K537 PolarHBondContact O-N 3.22Å; R534-K537 VanDerWaalsContact O-N 3.1Å
535	I	89.9	Confident	84.4	Confident	75 Å²	75	55.6 Å²	55.6	39%	0.385	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.2	-35.2	176.4	-160.3	169.1	0	0	0	112.7	I346 V532 F533 K537 L538	I346-I535 HydrophobicContact CD1-CB 4.14Å; I346-I535 HydrophobicContact CD1-CG1 3.99Å; V532-I535 WeakPolarHBondContact O-CB 3.24Å; V532-I535 WeakPolarHBondContact O-CG2 3.32Å; V532-I535 PolarHBondContact O-N 2.99Å; F533-I535 PolarHBondContact O-N 3.22Å; F533-I535 VanDerWaalsContact O-N 3.13Å; I535-K537 PolarHBondContact O-N 3.27Å; I535-L538 HydrophobicContact CG1-CD1 4.28Å; I535-L538 WeakPolarHBondContact O-CB 3.45Å; I535-L538 WeakPolarHBondContact O-CG 3.27Å; I535-L538 PolarHBondContact O-N 3.14Å; I535-L538 VanDerWaalsContact O-N 3.15Å
536	F	89.1	Confident	85.3	Confident	91 Å²	91	53.5 Å²	53.5	40%	0.399	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-70.1	-13.5	179.9	-67.7	-74.7	0	0	0	112.6	I492 F533 R534 L538 S539	I492-F536 HydrophobicContact CD1-CB 4.17Å; I492-F536 HydrophobicContact CG1-CB 4.38Å; I492-F536 HydrophobicContact CG2-CB 3.69Å; F533-F536 AromaticContact CD1-CD2 3.8Å; F533-F536 HydrophobicContact CD1-CD2 3.8Å; F533-F536 AromaticContact CD1-CE2 3.87Å; F533-F536 HydrophobicContact CD1-CE2 3.87Å; F533-F536 HydrophobicContact CE1-CE2 4.3Å; F533-F536 PolarHBondContact O-N 3.22Å; R534-F536 VanDerWaalsContact C-N 3.27Å; R534-F536 PolarHBondContact O-N 3.48Å; F536-L538 PolarHBondContact O-N 3.45Å; F536-S539 WeakPolarHBondContact O-CB 3.41Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 2.97Å
537	K	88.7	Confident	86.1	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.013	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62.4	-26	172	-170.2	170.6	172.4	147.7	0	112.3	I342 F467 E470 D493 R534 I535 S539 R540	I342-K537 HydrophobicContact CD1-CB 3.92Å; I342-K537 HydrophobicContact CD1-CD 3.79Å; I342-K537 HydrophobicContact CD1-CG 3.61Å; I342-K537 HydrophobicContact CG1-CB 4.41Å; I342-K537 HydrophobicContact CG1-CD 4.03Å; I342-K537 HydrophobicContact CG1-CG 4.31Å; F467-K537 HydrophobicContact CD1-CD 4.26Å; F467-K537 HydrophobicContact CE1-CD 4.35Å; E470-K537 VanDerWaalsContact CD-NZ 3.32Å; E470-K537 WeakPolarHBondContact OE1-CE 3.24Å; E470-K537 IonicContact OE1-NZ 3.18Å; E470-K537 WeakPolarHBondContact OE2-CE 3.36Å; E470-K537 IonicContact OE2-NZ 3.86Å; E470-K537 PolarHBondContact OE2-NZ 2.93Å; D493-K537 WeakPolarHBondContact OD1-CD 3.49Å; D493-K537 WeakPolarHBondContact OD1-CE 3.45Å; D493-K537 WeakPolarHBondContact OD1-CG 3.39Å; D493-K537 IonicContact OD1-NZ 2.93Å; D493-K537 PolarHBondContact OD1-NZ 3.25Å; R534-K537 WeakPolarHBondContact O-CB 3.27Å; R534-K537 PolarHBondContact O-N 3.22Å; R534-K537 VanDerWaalsContact O-N 3.1Å; I535-K537 PolarHBondContact O-N 3.27Å; K537-S539 PolarHBondContact O-N 3.49Å; K537-S539 VanDerWaalsContact O-N 3.13Å; K537-R540 PolarHBondContact O-N 3.49Å
538	L	87	Confident	86.7	Confident	46 Å²	46	51.7 Å²	51.7	24%	0.241	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59.2	-21.2	170.5	-62.2	175.7	0	0	0	112.9	I339 I342 I535 F536 R540 H541 S542	I339-L538 HydrophobicContact CG2-CD2 4.27Å; I342-L538 HydrophobicContact CB-CD2 4.12Å; I342-L538 HydrophobicContact CD1-CD2 4.09Å; I342-L538 HydrophobicContact CG2-CD1 4.49Å; I342-L538 HydrophobicContact CG2-CD2 3.72Å; I342-L538 HydrophobicContact CG2-CG 3.87Å; I535-L538 HydrophobicContact CG1-CD1 4.28Å; I535-L538 WeakPolarHBondContact O-CB 3.45Å; I535-L538 WeakPolarHBondContact O-CG 3.27Å; I535-L538 PolarHBondContact O-N 3.14Å; I535-L538 VanDerWaalsContact O-N 3.15Å; F536-L538 PolarHBondContact O-N 3.45Å; L538-R540 PolarHBondContact O-N 3.36Å; L538-H541 CarbonylContact O-C 3.47Å; L538-H541 PolarHBondContact O-N 3.02Å; L538-S542 WeakPolarHBondContact O-CB 3.43Å; L538-S542 PolarHBondContact O-N 3.5Å
539	S	87.5	Confident	87.3	Confident	10 Å²	10	50.4 Å²	50.4	7%	0.07	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59	-31.6	175.5	66.4	0	0	0	0	113.1	M489 F536 K537 H541 S542 Q546	M489-S539 WeakPolarHBondContact CE-O 3.45Å; M489-S539 VanDerWaalsContact CE-OG 3.28Å; M489-S539 WeakPolarHBondContact CE-OG 3.43Å; F536-S539 WeakPolarHBondContact O-CB 3.41Å; F536-S539 PolarHBondContact O-N 2.92Å; F536-S539 PolarHBondContact O-OG 2.97Å; K537-S539 PolarHBondContact O-N 3.49Å; K537-S539 VanDerWaalsContact O-N 3.13Å; S539-H541 PolarHBondContact O-N 3.28Å; S539-S542 PolarHBondContact O-N 3.18Å; S539-Q546 VanDerWaalsContact O-CG 3.31Å; S539-Q546 WeakPolarHBondContact O-CG 3.47Å; S539-Q546 PolarHBondContact O-NE2 3.42Å
540	R	84.5	Confident	87.6	Confident	23 Å²	23	48.2 Å²	48.2	9%	0.087	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62.6	-29.5	175.5	-174.5	-179.2	-70.9	-84.7	10.8	112.3	E323 M489 N490 D493 K537 L538 Q546	E323-R540 IonicContact OE1-NH1 3.31Å; E323-R540 PolarHBondContact OE1-NH1 3.14Å; E323-R540 IonicContact OE2-CZ 3.77Å; E323-R540 IonicContact OE2-NH1 2.72Å; E323-R540 PolarHBondContact OE2-NH1 3.32Å; M489-R540 HydrophobicContact CE-CB 4.37Å; N490-R540 PolarHBondContact OD1-NH2 2.95Å; D493-R540 IonicContact OD2-CZ 2.95Å; D493-R540 IonicContact OD2-NE 3.47Å; D493-R540 PolarHBondContact OD2-NE 3.1Å; D493-R540 IonicContact OD2-NH2 2.7Å; D493-R540 PolarHBondContact OD2-NH2 3.21Å; K537-R540 PolarHBondContact O-N 3.49Å; L538-R540 PolarHBondContact O-N 3.36Å; R540-Q546 PolarHBondContact O-NE2 3.48Å
541	H	84.7	Confident	88	Confident	46 Å²	46	46.2 Å²	46.2	21%	0.213	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-8.7	-176.7	-56.1	-66.3	0	0	0	113.6	I339 L538 S539	I339-H541 HydrophobicContact CD1-CB 3.76Å; I339-H541 HydrophobicContact CG1-CB 3.91Å; L538-H541 CarbonylContact O-C 3.47Å; L538-H541 PolarHBondContact O-N 3.02Å; S539-H541 PolarHBondContact O-N 3.28Å
542	S	87	Confident	88.3	Confident	50 Å²	50	49 Å²	49	35%	0.35	27%	0.265	S	S	.	.			trans	-111.2	103.2	179.5	178	0	0	0	0	111.1	L538 S539 G544 L545 Q546	L538-S542 WeakPolarHBondContact O-CB 3.43Å; L538-S542 PolarHBondContact O-N 3.5Å; S539-S542 PolarHBondContact O-N 3.18Å; S542-G544 PolarHBondContact O-N 3.16Å; S542-L545 PolarHBondContact O-N 3.26Å; S542-L545 VanDerWaalsContact O-N 3.14Å; S542-L545 PolarHBondContact OG-N 3.08Å; S542-Q546 PolarHBondContact O-N 3.23Å
543	K	84.6	Confident	88.5	Confident	78 Å²	78	53.6 Å²	53.6	34%	0.339	28%	0.279	S	S	.	.	H	α-helix	trans	-56.1	-40.2	172.6	-64.4	-167.7	177.7	-166.2	0	111.6	L545 Q546 I547 E651 E655	K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 PolarHBondContact O-N 3.16Å; K543-Q546 WeakPolarHBondContact O-CB 3.48Å; K543-Q546 PolarHBondContact O-N 3.24Å; K543-I547 VanDerWaalsContact O-CG1 3.32Å; K543-I547 WeakPolarHBondContact O-CG1 3.06Å; K543-I547 PolarHBondContact O-N 2.98Å; K543-E651 HydrophobicContact CD-CG 4.32Å; K543-E655 VanDerWaalsContact CD-OE1 3.29Å; K543-E655 WeakPolarHBondContact CD-OE1 3.37Å; K543-E655 WeakPolarHBondContact CE-OE1 3.48Å; K543-E655 IonicContact NZ-OE1 3.18Å; K543-E655 PolarHBondContact NZ-OE1 3.23Å
544	G	87.7	Confident	88.7	Confident	40 Å²	40	51.2 Å²	51.2	41%	0.412	28%	0.277	S	S	.	.	H	α-helix	trans	-57	-38.9	176.1	0	0	0	0	0	113.7	S542 L548	S542-G544 PolarHBondContact O-N 3.16Å; G544-L548 WeakPolarHBondContact O-CB 3.5Å; G544-L548 PolarHBondContact O-N 2.95Å
545	L	88.2	Confident	89	Confident	56 Å²	56	50.9 Å²	50.9	29%	0.293	28%	0.277	S	S	.	.	H	α-helix	trans	-75.5	-28.4	177	-172.2	51.4	0	0	0	112.4	S542 K543 L548 G549	S542-L545 PolarHBondContact O-N 3.26Å; S542-L545 VanDerWaalsContact O-N 3.14Å; S542-L545 PolarHBondContact OG-N 3.08Å; K543-L545 VanDerWaalsContact C-N 3.3Å; K543-L545 PolarHBondContact O-N 3.16Å; L545-L548 HydrophobicContact CD1-CD2 4.04Å; L545-G549 PolarHBondContact O-N 3.49Å
546	Q	87.6	Confident	89.1	Confident	68 Å²	68	51.8 Å²	51.8	32%	0.318	29%	0.285	S	S	.	.	H	α-helix	trans	-70	-44.5	170.5	-62.8	177.5	28.8	0	0	111.6	M489 S539 R540 S542 K543 L548 G549 Q550	M489-Q546 HydrophobicContact CE-CG 3.93Å; S539-Q546 VanDerWaalsContact O-CG 3.31Å; S539-Q546 WeakPolarHBondContact O-CG 3.47Å; S539-Q546 PolarHBondContact O-NE2 3.42Å; R540-Q546 PolarHBondContact O-NE2 3.48Å; S542-Q546 PolarHBondContact O-N 3.23Å; K543-Q546 WeakPolarHBondContact O-CB 3.48Å; K543-Q546 PolarHBondContact O-N 3.24Å; Q546-L548 VanDerWaalsContact C-N 3.32Å; Q546-L548 PolarHBondContact O-N 2.99Å; Q546-G549 PolarHBondContact O-N 3.31Å; Q546-G549 VanDerWaalsContact O-N 3.17Å; Q546-Q550 WeakPolarHBondContact O-CG 3.47Å; Q546-Q550 PolarHBondContact O-N 3.06Å
547	I	90.2	Very high	89.4	Confident	8 Å²	8	53 Å²	53	4%	0.041	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-45.4	173	-67.6	159.9	0	0	0	110.1	K543 Q550 T551 F644 F647 Y648 E651	K543-I547 VanDerWaalsContact O-CG1 3.32Å; K543-I547 WeakPolarHBondContact O-CG1 3.06Å; K543-I547 PolarHBondContact O-N 2.98Å; I547-Q550 PolarHBondContact O-N 3.02Å; I547-T551 WeakPolarHBondContact O-CB 3.32Å; I547-T551 PolarHBondContact O-N 3.46Å; I547-T551 PolarHBondContact O-OG1 3.5Å; I547-F644 HydrophobicContact CG2-CD2 4.06Å; I547-F644 HydrophobicContact CG2-CE2 3.78Å; I547-F644 HydrophobicContact CG2-CZ 4.44Å; I547-F647 HydrophobicContact CG2-CB 3.96Å; I547-Y648 HydrophobicContact CD1-CD2 4.22Å; I547-E651 HydrophobicContact CD1-CB 3.91Å; I547-E651 HydrophobicContact CD1-CG 4.11Å; I547-E651 HydrophobicContact CG1-CB 4.2Å; I547-E651 HydrophobicContact CG1-CG 4.41Å
548	L	92.1	Very high	89.6	Confident	74 Å²	74	53.8 Å²	53.8	39%	0.387	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-46	174.7	-179.4	61.1	0	0	0	111.8	G544 L545 Q546 Q550 T551 L552	G544-L548 WeakPolarHBondContact O-CB 3.5Å; G544-L548 PolarHBondContact O-N 2.95Å; L545-L548 HydrophobicContact CD1-CD2 4.04Å; Q546-L548 VanDerWaalsContact C-N 3.32Å; Q546-L548 PolarHBondContact O-N 2.99Å; L548-Q550 PolarHBondContact O-N 3.48Å; L548-T551 WeakPolarHBondContact O-CB 3.35Å; L548-T551 PolarHBondContact O-N 2.6Å; L548-L552 HydrophobicContact CD1-CD1 4.19Å; L548-L552 HydrophobicContact CD1-CG 4.2Å; L548-L552 HydrophobicContact CG-CD1 4.07Å; L548-L552 HydrophobicContact CG-CG 4.5Å; L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 WeakPolarHBondContact O-CG 3.33Å; L548-L552 PolarHBondContact O-N 2.82Å
549	G	89.8	Confident	89.9	Confident	39 Å²	39	54.7 Å²	54.7	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-41.7	176.9	0	0	0	0	0	113.5	L545 Q546 K553	L545-G549 PolarHBondContact O-N 3.49Å; Q546-G549 PolarHBondContact O-N 3.31Å; Q546-G549 VanDerWaalsContact O-N 3.17Å; G549-K553 WeakPolarHBondContact O-CB 3.37Å; G549-K553 PolarHBondContact O-N 3.36Å
550	Q	89.2	Confident	90.2	Very high	70 Å²	70	56.1 Å²	56.1	33%	0.327	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-42.7	174.5	-69.9	177.9	8	0	0	111.8	Q546 I547 L548 K553 A554 F647	Q546-Q550 WeakPolarHBondContact O-CG 3.47Å; Q546-Q550 PolarHBondContact O-N 3.06Å; I547-Q550 PolarHBondContact O-N 3.02Å; L548-Q550 PolarHBondContact O-N 3.48Å; Q550-K553 PolarHBondContact O-N 3.4Å; Q550-A554 WeakPolarHBondContact O-CB 3.32Å; Q550-A554 PolarHBondContact O-N 3.41Å; Q550-F647 HydrophobicContact CB-CG 4.47Å
551	T	92.5	Very high	90.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-48.3	175.6	-58.8	0	0	0	0	111.3	I547 L548 A554 S555 I640 N643 F644	I547-T551 WeakPolarHBondContact O-CB 3.32Å; I547-T551 PolarHBondContact O-N 3.46Å; I547-T551 PolarHBondContact O-OG1 3.5Å; L548-T551 WeakPolarHBondContact O-CB 3.35Å; L548-T551 PolarHBondContact O-N 2.6Å; T551-A554 PolarHBondContact O-N 2.97Å; T551-S555 VanDerWaalsContact O-CB 3.24Å; T551-S555 WeakPolarHBondContact O-CB 3.29Å; T551-S555 PolarHBondContact O-N 3.21Å; T551-S555 PolarHBondContact O-OG 3.2Å; T551-I640 HydrophobicContact CG2-CG2 4.25Å; T551-N643 HydrophobicContact CG2-CB 4.11Å; T551-F644 HydrophobicContact CG2-CB 3.89Å; T551-F644 HydrophobicContact CG2-CD2 4.49Å; T551-F644 WeakPolarHBondContact OG1-CA 3.31Å
552	L	93	Very high	91	Very high	72 Å²	72	57.8 Å²	57.8	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.2	-70.5	171.6	0	0	0	111.5	L548 S555 T556 L559	L548-L552 HydrophobicContact CD1-CD1 4.19Å; L548-L552 HydrophobicContact CD1-CG 4.2Å; L548-L552 HydrophobicContact CG-CD1 4.07Å; L548-L552 HydrophobicContact CG-CG 4.5Å; L548-L552 WeakPolarHBondContact O-CB 3.46Å; L548-L552 WeakPolarHBondContact O-CG 3.33Å; L548-L552 PolarHBondContact O-N 2.82Å; L552-S555 CarbonylContact O-C 3.55Å; L552-S555 PolarHBondContact O-N 3.09Å; L552-T556 WeakPolarHBondContact O-CG2 3.21Å; L552-T556 PolarHBondContact O-N 3.09Å; L552-L559 HydrophobicContact CD2-CD2 4.33Å
553	K	92	Very high	91.3	Very high	169 Å²	169	59.6 Å²	59.6	74%	0.735	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-42.7	175.3	-175.1	-178.9	176.9	-174	0	112.3	G549 Q550 T556	G549-K553 WeakPolarHBondContact O-CB 3.37Å; G549-K553 PolarHBondContact O-N 3.36Å; Q550-K553 PolarHBondContact O-N 3.4Å; K553-T556 WeakPolarHBondContact O-CG2 3.46Å; K553-T556 PolarHBondContact O-OG1 3.47Å
554	A	90.3	Very high	91.8	Very high	49 Å²	49	61.4 Å²	61.4	41%	0.405	34%	0.34	S	S	.	.	H	α-helix	trans	-71.2	-30.4	177.2	0	0	0	0	0	113	Q550 T551 F647	Q550-A554 WeakPolarHBondContact O-CB 3.32Å; Q550-A554 PolarHBondContact O-N 3.41Å; T551-A554 PolarHBondContact O-N 2.97Å; A554-F647 HydrophobicContact CB-CE2 3.53Å; A554-F647 HydrophobicContact CB-CZ 3.79Å
555	S	93.5	Very high	92.1	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.007	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	20.2	-176.1	-41.9	0	0	0	0	113.5	T551 L552 R557 E558 L559 N643	T551-S555 VanDerWaalsContact O-CB 3.24Å; T551-S555 WeakPolarHBondContact O-CB 3.29Å; T551-S555 PolarHBondContact O-N 3.21Å; T551-S555 PolarHBondContact O-OG 3.2Å; L552-S555 CarbonylContact O-C 3.55Å; L552-S555 PolarHBondContact O-N 3.09Å; S555-R557 VanDerWaalsContact C-N 3.29Å; S555-R557 PolarHBondContact O-N 3.38Å; S555-E558 VanDerWaalsContact C-OE2 3.26Å; S555-E558 VanDerWaalsContact CA-OE2 3.25Å; S555-E558 WeakPolarHBondContact CA-OE2 3.19Å; S555-E558 PolarHBondContact O-N 3.34Å; S555-L559 WeakPolarHBondContact O-CB 3.31Å; S555-L559 PolarHBondContact O-N 3.32Å; S555-N643 PolarHBondContact OG-ND2 3.4Å
556	T	92.9	Very high	92.4	Very high	93 Å²	93	62.8 Å²	62.8	57%	0.571	34%	0.335	S	S	*	.	H	α-helix	trans	-61.4	-35.2	-175.3	40.3	0	0	0	0	112.9	L552 K553 G560	L552-T556 WeakPolarHBondContact O-CG2 3.21Å; L552-T556 PolarHBondContact O-N 3.09Å; K553-T556 WeakPolarHBondContact O-CG2 3.46Å; K553-T556 PolarHBondContact O-OG1 3.47Å; T556-G560 PolarHBondContact O-N 3Å
557	R	93.7	Very high	92.8	Very high	118 Å²	118	64.1 Å²	64.1	45%	0.445	34%	0.343	S	S	.	.	H	α-helix	trans	-68	-44.8	176.7	178.6	-173.6	64.6	158.2	-6.5	111.1	Y34 S555 G560 L561	Y34-R557 VanDerWaalsContact CZ-CZ 3.46Å; Y34-R557 VanDerWaalsContact CZ-NH1 3.34Å; Y34-R557 WeakPolarHBondContact OH-CD 3.38Å; Y34-R557 PolarHBondContact OH-NE 3.43Å; Y34-R557 VanDerWaalsContact OH-NE 3.17Å; Y34-R557 PolarHBondContact OH-NH1 3.33Å; S555-R557 VanDerWaalsContact C-N 3.29Å; S555-R557 PolarHBondContact O-N 3.38Å; R557-G560 PolarHBondContact O-N 2.81Å; R557-L561 WeakPolarHBondContact O-CG 3.4Å; R557-L561 PolarHBondContact O-N 3.26Å
558	E	93.7	Very high	93.1	Very high	19 Å²	19	67.3 Å²	67.3	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-67.6	-41.5	-178.4	-64.8	64.1	-147	0	0	110.6	S555 L561 L562 V639 I640	S555-E558 VanDerWaalsContact C-OE2 3.26Å; S555-E558 VanDerWaalsContact CA-OE2 3.25Å; S555-E558 WeakPolarHBondContact CA-OE2 3.19Å; S555-E558 PolarHBondContact O-N 3.34Å; E558-L561 PolarHBondContact O-N 3.13Å; E558-L562 PolarHBondContact O-N 2.57Å; E558-V639 HydrophobicContact CG-CB 4.1Å; E558-V639 HydrophobicContact CG-CG1 3.73Å; E558-I640 HydrophobicContact CB-CG1 4.39Å
559	L	92.6	Very high	93.3	Very high	65 Å²	65	64.9 Å²	64.9	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-38.7	172	-174.5	62.8	0	0	0	111.7	L552 S555 L562 V563	L552-L559 HydrophobicContact CD2-CD2 4.33Å; S555-L559 WeakPolarHBondContact O-CB 3.31Å; S555-L559 PolarHBondContact O-N 3.32Å; L559-L562 HydrophobicContact CD1-CD2 4.31Å; L559-L562 WeakPolarHBondContact O-CB 3.25Å; L559-L562 PolarHBondContact O-N 3.24Å; L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.15Å
560	G	93.7	Very high	93.7	Very high	40 Å²	40	63.6 Å²	63.6	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-43	172.7	0	0	0	0	0	112.7	T556 R557 V563 F564	T556-G560 PolarHBondContact O-N 3Å; R557-G560 PolarHBondContact O-N 2.81Å; G560-V563 PolarHBondContact O-N 3.25Å; G560-F564 VanDerWaalsContact O-CB 3.28Å; G560-F564 WeakPolarHBondContact O-CB 3.21Å; G560-F564 PolarHBondContact O-N 3.16Å
561	L	92.3	Very high	94.1	Very high	77 Å²	77	64.1 Å²	64.1	40%	0.403	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-40.4	173.9	-71.9	170.7	0	0	0	112.2	R557 E558 F564 F565	R557-L561 WeakPolarHBondContact O-CG 3.4Å; R557-L561 PolarHBondContact O-N 3.26Å; E558-L561 PolarHBondContact O-N 3.13Å; L561-F564 PolarHBondContact O-N 3.48Å; L561-F565 HydrophobicContact CB-CD2 4.49Å; L561-F565 HydrophobicContact CB-CE2 4.22Å; L561-F565 HydrophobicContact CD2-CE2 4.41Å; L561-F565 WeakPolarHBondContact O-CD2 3.29Å; L561-F565 WeakPolarHBondContact O-CG 3.38Å; L561-F565 PolarHBondContact O-N 3.13Å
562	L	93.7	Very high	94.3	Very high	27 Å²	27	68.9 Å²	68.9	14%	0.141	36%	0.362	C	S	.	.	H	α-helix	trans	-58.1	-50.7	174.5	179.5	62.3	0	0	0	111.5	E558 L559 F564 L566 I633 P636	E558-L562 PolarHBondContact O-N 2.57Å; L559-L562 HydrophobicContact CD1-CD2 4.31Å; L559-L562 WeakPolarHBondContact O-CB 3.25Å; L559-L562 PolarHBondContact O-N 3.24Å; L562-F564 VanDerWaalsContact C-N 3.33Å; L562-F564 PolarHBondContact O-N 3.46Å; L562-L566 VanDerWaalsContact O-CB 3.24Å; L562-L566 WeakPolarHBondContact O-CB 3.5Å; L562-L566 PolarHBondContact O-N 2.74Å; L562-I633 HydrophobicContact CD1-CG1 4.4Å; L562-P636 HydrophobicContact CB-CB 4.05Å; L562-P636 HydrophobicContact CB-CG 3.84Å; L562-P636 HydrophobicContact CD1-CG 3.93Å; L562-P636 HydrophobicContact CG-CG 4.44Å
563	V	94.2	Very high	94.6	Very high	87 Å²	87	66.5 Å²	66.5	53%	0.527	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-39.6	179	174.3	0	0	0	0	111.2	L559 G560 L567	L559-V563 WeakPolarHBondContact O-CG2 3.27Å; L559-V563 PolarHBondContact O-N 3.15Å; G560-V563 PolarHBondContact O-N 3.25Å; V563-L567 VanDerWaalsContact O-CB 3.32Å; V563-L567 WeakPolarHBondContact O-CB 3.42Å; V563-L567 PolarHBondContact O-N 3.16Å
564	F	94.8	Very high	94.8	Very high	116 Å²	116	58.5 Å²	58.5	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-63.5	-50.7	178.6	178	-106.6	0	0	0	112.8	G560 L561 L562 L567 I568	G560-F564 VanDerWaalsContact O-CB 3.28Å; G560-F564 WeakPolarHBondContact O-CB 3.21Å; G560-F564 PolarHBondContact O-N 3.16Å; L561-F564 PolarHBondContact O-N 3.48Å; L562-F564 VanDerWaalsContact C-N 3.33Å; L562-F564 PolarHBondContact O-N 3.46Å; F564-L567 PolarHBondContact O-N 2.85Å; F564-I568 HydrophobicContact CD1-CD1 4Å; F564-I568 HydrophobicContact CD2-CD1 4.48Å; F564-I568 HydrophobicContact CE1-CD1 3.53Å; F564-I568 HydrophobicContact CE2-CD1 4.06Å; F564-I568 HydrophobicContact CG-CD1 4.47Å; F564-I568 HydrophobicContact CZ-CD1 3.58Å; F564-I568 WeakPolarHBondContact O-CG1 3.28Å; F564-I568 PolarHBondContact O-N 3.22Å; F564-I568 VanDerWaalsContact O-N 3.13Å
565	F	94.3	Very high	95.2	Very high	83 Å²	83	57.8 Å²	57.8	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-39.2	177.7	-66.3	-49.7	0	0	0	112	L561 L567 I568 C569 T632	L561-F565 HydrophobicContact CB-CD2 4.49Å; L561-F565 HydrophobicContact CB-CE2 4.22Å; L561-F565 HydrophobicContact CD2-CE2 4.41Å; L561-F565 WeakPolarHBondContact O-CD2 3.29Å; L561-F565 WeakPolarHBondContact O-CG 3.38Å; L561-F565 PolarHBondContact O-N 3.13Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 3.21Å; F565-I568 PolarHBondContact O-N 3.26Å; F565-C569 PolarHBondContact O-N 3.41Å; F565-C569 PolarHBondContact O-SG 3.24Å; F565-T632 HydrophobicContact CB-CG2 3.64Å
566	L	94.5	Very high	95.4	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.225	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-45.1	175.6	-168.7	157.3	0	0	0	111	L562 I568 C569 V570 M603	L562-L566 VanDerWaalsContact O-CB 3.24Å; L562-L566 WeakPolarHBondContact O-CB 3.5Å; L562-L566 PolarHBondContact O-N 2.74Å; L566-I568 PolarHBondContact O-N 3.12Å; L566-C569 PolarHBondContact O-N 3.15Å; L566-V570 HydrophobicContact CD2-CG2 3.72Å; L566-V570 WeakPolarHBondContact O-CB 3.39Å; L566-V570 VanDerWaalsContact O-CG2 3.3Å; L566-V570 WeakPolarHBondContact O-CG2 3.47Å; L566-V570 PolarHBondContact O-N 3.02Å; L566-M603 HydrophobicContact CG-CE 4.3Å
567	L	96.3	Very high	95.6	Very high	95 Å²	95	55 Å²	55	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-42.4	178.6	-178.8	144.6	0	0	0	112.7	V563 F564 F565 V570 I571	V563-L567 VanDerWaalsContact O-CB 3.32Å; V563-L567 WeakPolarHBondContact O-CB 3.42Å; V563-L567 PolarHBondContact O-N 3.16Å; F564-L567 PolarHBondContact O-N 2.85Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 3.21Å; L567-V570 PolarHBondContact O-N 2.91Å; L567-I571 HydrophobicContact CD2-CD1 3.65Å; L567-I571 HydrophobicContact CG-CD1 4.16Å; L567-I571 WeakPolarHBondContact O-CG1 3.39Å; L567-I571 PolarHBondContact O-N 3Å
568	I	96.4	Very high	95.8	Very high	75 Å²	75	52.1 Å²	52.1	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-50.3	175.7	-69	167.8	0	0	0	110.6	F564 F565 L566 V570 I571 L572	F564-I568 HydrophobicContact CD1-CD1 4Å; F564-I568 HydrophobicContact CD2-CD1 4.48Å; F564-I568 HydrophobicContact CE1-CD1 3.53Å; F564-I568 HydrophobicContact CE2-CD1 4.06Å; F564-I568 HydrophobicContact CG-CD1 4.47Å; F564-I568 HydrophobicContact CZ-CD1 3.58Å; F564-I568 WeakPolarHBondContact O-CG1 3.28Å; F564-I568 PolarHBondContact O-N 3.22Å; F564-I568 VanDerWaalsContact O-N 3.13Å; F565-I568 PolarHBondContact O-N 3.26Å; L566-I568 PolarHBondContact O-N 3.12Å; I568-V570 PolarHBondContact O-N 3.15Å; I568-I571 PolarHBondContact O-N 3.29Å; I568-L572 WeakPolarHBondContact O-CB 3.27Å; I568-L572 PolarHBondContact O-N 3.46Å
569	C	96.3	Very high	95.9	Very high	23 Å²	23	57.9 Å²	57.9	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-40.9	-179.2	-72.3	0	0	0	0	112.3	F565 L566 L572 F573 M603	F565-C569 PolarHBondContact O-N 3.41Å; F565-C569 PolarHBondContact O-SG 3.24Å; L566-C569 PolarHBondContact O-N 3.15Å; C569-L572 PolarHBondContact O-N 3.37Å; C569-F573 HydrophobicContact CB-CD2 4.13Å; C569-F573 HydrophobicContact CB-CE2 4.2Å; C569-F573 WeakPolarHBondContact O-CB 3.48Å; C569-F573 WeakPolarHBondContact O-CD2 3.29Å; C569-F573 PolarHBondContact O-N 2.83Å; C569-M603 HydrophobicContact CB-CE 3.32Å; C569-M603 HydrophobicContact CB-SD 3.62Å
570	V	97.5	Very high	96	Very high	12 Å²	12	55.9 Å²	55.9	7%	0.073	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-50.6	174.8	166.3	0	0	0	0	110.6	L566 L567 I568 L572 S574 F596 A599 V600 M603	L566-V570 HydrophobicContact CD2-CG2 3.72Å; L566-V570 WeakPolarHBondContact O-CB 3.39Å; L566-V570 VanDerWaalsContact O-CG2 3.3Å; L566-V570 WeakPolarHBondContact O-CG2 3.47Å; L566-V570 PolarHBondContact O-N 3.02Å; L567-V570 PolarHBondContact O-N 2.91Å; I568-V570 PolarHBondContact O-N 3.15Å; V570-L572 VanDerWaalsContact C-N 3.31Å; V570-L572 PolarHBondContact O-N 3.01Å; V570-S574 WeakPolarHBondContact O-CB 3.37Å; V570-S574 PolarHBondContact O-N 2.72Å; V570-S574 PolarHBondContact O-OG 3.18Å; V570-F596 HydrophobicContact CG1-CB 3.86Å; V570-F596 HydrophobicContact CG1-CD1 3.58Å; V570-F596 HydrophobicContact CG1-CE1 4.38Å; V570-F596 HydrophobicContact CG1-CG 3.88Å; V570-A599 HydrophobicContact CG1-CB 4.38Å; V570-A599 HydrophobicContact CG2-CB 4.35Å; V570-V600 HydrophobicContact CG1-CG2 4.33Å; V570-V600 HydrophobicContact CG2-CG2 3.63Å; V570-M603 HydrophobicContact CG2-SD 3.86Å
571	I	97.7	Very high	96.1	Very high	82 Å²	82	54 Å²	54	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-43.6	179.5	-67.7	169.8	0	0	0	111.4	L567 I568 S575 F596	L567-I571 HydrophobicContact CD2-CD1 3.65Å; L567-I571 HydrophobicContact CG-CD1 4.16Å; L567-I571 WeakPolarHBondContact O-CG1 3.39Å; L567-I571 PolarHBondContact O-N 3Å; I568-I571 PolarHBondContact O-N 3.29Å; I571-S575 WeakPolarHBondContact O-CB 3.28Å; I571-S575 PolarHBondContact O-N 3.4Å; I571-S575 PolarHBondContact O-OG 3.22Å; I571-F596 HydrophobicContact CG1-CE1 4.19Å; I571-F596 HydrophobicContact CG1-CZ 4.28Å
572	L	97.7	Very high	96.1	Very high	100 Å²	100	53.5 Å²	53.5	52%	0.524	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-56.9	-179.7	-170.4	164.1	0	0	0	111.8	I568 C569 V570 S574 S575 A576	I568-L572 WeakPolarHBondContact O-CB 3.27Å; I568-L572 PolarHBondContact O-N 3.46Å; C569-L572 PolarHBondContact O-N 3.37Å; V570-L572 VanDerWaalsContact C-N 3.31Å; V570-L572 PolarHBondContact O-N 3.01Å; L572-S574 PolarHBondContact O-N 2.92Å; L572-S575 PolarHBondContact O-N 2.94Å; L572-A576 WeakPolarHBondContact O-CB 3.2Å; L572-A576 PolarHBondContact O-N 3.41Å
573	F	97.9	Very high	96	Very high	23 Å²	23	59.4 Å²	59.4	10%	0.101	31%	0.312	C	S	.	.	H	α-helix	trans	-70.3	-32.7	-174.4	-71.6	-63.8	0	0	0	112.9	C569 A576 V577 V621 L624 C625 A628	C569-F573 HydrophobicContact CB-CD2 4.13Å; C569-F573 HydrophobicContact CB-CE2 4.2Å; C569-F573 WeakPolarHBondContact O-CB 3.48Å; C569-F573 WeakPolarHBondContact O-CD2 3.29Å; C569-F573 PolarHBondContact O-N 2.83Å; F573-A576 PolarHBondContact O-N 3.35Å; F573-V577 WeakPolarHBondContact O-CB 3.47Å; F573-V577 WeakPolarHBondContact O-CG1 3.5Å; F573-V577 PolarHBondContact O-N 3.1Å; F573-V621 HydrophobicContact CD1-CG1 4.15Å; F573-L624 HydrophobicContact CE1-CB 3.97Å; F573-C625 HydrophobicContact CB-CB 4.05Å; F573-C625 HydrophobicContact CD1-CB 3.73Å; F573-C625 HydrophobicContact CD2-CB 4.1Å; F573-C625 HydrophobicContact CE1-CB 4.19Å; F573-C625 HydrophobicContact CG-CB 3.69Å; F573-A628 HydrophobicContact CE2-CB 3.47Å; F573-A628 VanDerWaalsContact CE2-CB 3.47Å; F573-A628 HydrophobicContact CZ-CB 3.58Å
574	S	97.9	Very high	95.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-36.4	174.2	-62.6	0	0	0	0	112.8	V570 L572 V577 Y578 A595 F596 A599	V570-S574 WeakPolarHBondContact O-CB 3.37Å; V570-S574 PolarHBondContact O-N 2.72Å; V570-S574 PolarHBondContact O-OG 3.18Å; L572-S574 PolarHBondContact O-N 2.92Å; S574-V577 WeakPolarHBondContact O-CG1 3.22Å; S574-Y578 VanDerWaalsContact O-CB 3.26Å; S574-Y578 WeakPolarHBondContact O-CB 3.26Å; S574-Y578 PolarHBondContact O-N 3.33Å; S574-Y578 VanDerWaalsContact O-N 3.15Å; S574-A595 PolarHBondContact OG-O 3.43Å; S574-F596 VanDerWaalsContact CB-CD1 3.49Å; S574-F596 VanDerWaalsContact OG-CA 3.29Å; S574-F596 WeakPolarHBondContact OG-CA 3.34Å; S574-F596 WeakPolarHBondContact OG-CD1 3.37Å; S574-F596 PolarHBondContact OG-N 3.31Å; S574-A599 WeakPolarHBondContact OG-CB 3.46Å
575	S	97.8	Very high	95.1	Very high	34 Å²	34	59.5 Å²	59.5	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-45.2	172.5	-56	0	0	0	0	110.8	I571 L572 Y578 F579	I571-S575 WeakPolarHBondContact O-CB 3.28Å; I571-S575 PolarHBondContact O-N 3.4Å; I571-S575 PolarHBondContact O-OG 3.22Å; L572-S575 PolarHBondContact O-N 2.94Å; S575-Y578 PolarHBondContact O-N 3.24Å; S575-F579 WeakPolarHBondContact O-CD2 3.27Å; S575-F579 PolarHBondContact O-N 3.03Å; S575-F579 VanDerWaalsContact O-N 3.13Å
576	A	97.5	Very high	94.8	Very high	35 Å²	35	65.4 Å²	65.4	29%	0.289	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-41.9	179.9	0	0	0	0	0	113.1	L572 F573 A580 V621	L572-A576 WeakPolarHBondContact O-CB 3.2Å; L572-A576 PolarHBondContact O-N 3.41Å; F573-A576 PolarHBondContact O-N 3.35Å; A576-A580 VanDerWaalsContact O-CB 3.27Å; A576-A580 WeakPolarHBondContact O-CB 3.46Å; A576-A580 PolarHBondContact O-N 2.89Å; A576-V621 HydrophobicContact CB-CG1 3.78Å; A576-V621 HydrophobicContact CB-CG2 4.18Å
577	V	97.3	Very high	94.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-71.2	-35.5	178	77.5	0	0	0	0	111.6	F573 S574 A580 E581 F589 A595 W598 P613 V621	F573-V577 WeakPolarHBondContact O-CB 3.47Å; F573-V577 WeakPolarHBondContact O-CG1 3.5Å; F573-V577 PolarHBondContact O-N 3.1Å; S574-V577 WeakPolarHBondContact O-CG1 3.22Å; V577-A580 PolarHBondContact O-N 3.47Å; V577-E581 HydrophobicContact CG2-CG 3.99Å; V577-E581 WeakPolarHBondContact O-CB 3.3Å; V577-E581 VanDerWaalsContact O-CG 3.27Å; V577-E581 WeakPolarHBondContact O-CG 3.44Å; V577-E581 PolarHBondContact O-N 3.21Å; V577-F589 HydrophobicContact CB-CE1 4.46Å; V577-F589 HydrophobicContact CG1-CD1 3.69Å; V577-F589 HydrophobicContact CG1-CE1 3.64Å; V577-F589 HydrophobicContact CG1-CG 4.37Å; V577-F589 HydrophobicContact CG1-CZ 4.32Å; V577-F589 HydrophobicContact CG2-CD1 4.34Å; V577-F589 HydrophobicContact CG2-CD2 4.37Å; V577-F589 HydrophobicContact CG2-CE1 3.91Å; V577-F589 HydrophobicContact CG2-CE2 3.97Å; V577-F589 HydrophobicContact CG2-CZ 3.72Å; V577-A595 HydrophobicContact CG1-CB 3.96Å; V577-W598 HydrophobicContact CB-CE3 4.22Å; V577-W598 HydrophobicContact CB-CH2 3.91Å; V577-W598 HydrophobicContact CB-CZ3 3.59Å; V577-W598 HydrophobicContact CG1-CE3 3.66Å; V577-W598 HydrophobicContact CG1-CH2 4.28Å; V577-W598 HydrophobicContact CG1-CZ3 3.5Å; V577-W598 HydrophobicContact CG2-CE3 4.36Å; V577-W598 HydrophobicContact CG2-CH2 3.78Å; V577-W598 HydrophobicContact CG2-CZ2 4.24Å; V577-W598 HydrophobicContact CG2-CZ3 3.87Å; V577-P613 HydrophobicContact CG2-CB 4.34Å; V577-V621 HydrophobicContact CB-CG1 4.09Å
578	Y	97.1	Very high	94.4	Very high	59 Å²	59	65.1 Å²	65.1	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-52.2	176.5	175.7	-103.7	0	0	0	110.8	S574 S575 A580 E581 V582 F589 I592	S574-Y578 VanDerWaalsContact O-CB 3.26Å; S574-Y578 WeakPolarHBondContact O-CB 3.26Å; S574-Y578 PolarHBondContact O-N 3.33Å; S574-Y578 VanDerWaalsContact O-N 3.15Å; S575-Y578 PolarHBondContact O-N 3.24Å; Y578-A580 VanDerWaalsContact C-N 3.28Å; Y578-A580 PolarHBondContact O-N 3.35Å; Y578-E581 PolarHBondContact O-N 3.24Å; Y578-V582 WeakPolarHBondContact O-CB 3.47Å; Y578-V582 PolarHBondContact O-N 3.42Å; Y578-F589 WeakPolarHBondContact CD2-O 3.3Å; Y578-F589 WeakPolarHBondContact CE2-O 3.5Å; Y578-I592 HydrophobicContact CD1-CD1 4.19Å; Y578-I592 HydrophobicContact CD1-CG1 3.7Å; Y578-I592 HydrophobicContact CD2-CG1 4.47Å; Y578-I592 HydrophobicContact CE1-CG1 4.26Å; Y578-I592 HydrophobicContact CG-CG1 3.82Å
579	F	96.3	Very high	94.3	Very high	139 Å²	139	61.7 Å²	61.7	61%	0.61	31%	0.314	S	S	*	.	H	α-helix	trans	-67	-25.8	176.5	-71.1	-62.7	0	0	0	113.8	S575	S575-F579 WeakPolarHBondContact O-CD2 3.27Å; S575-F579 PolarHBondContact O-N 3.03Å; S575-F579 VanDerWaalsContact O-N 3.13Å
580	A	95.9	Very high	94.1	Very high	23 Å²	23	70.7 Å²	70.7	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-77.9	-20.4	175.4	0	0	0	0	0	114	A576 V577 Y578 T615 W617	A576-A580 VanDerWaalsContact O-CB 3.27Å; A576-A580 WeakPolarHBondContact O-CB 3.46Å; A576-A580 PolarHBondContact O-N 2.89Å; V577-A580 PolarHBondContact O-N 3.47Å; Y578-A580 VanDerWaalsContact C-N 3.28Å; Y578-A580 PolarHBondContact O-N 3.35Å; A580-T615 WeakPolarHBondContact O-CG2 3.43Å; A580-T615 PolarHBondContact O-OG1 3.26Å; A580-T615 VanDerWaalsContact O-OG1 3.13Å; A580-W617 HydrophobicContact CB-CB 3.86Å
581	E	95.3	Very high	93.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-116	-3.8	-173.6	-63.6	-80.9	133	0	0	113.5	V577 Y578 D583 S584 T587 F589 P613 V614 T615 G618	V577-E581 HydrophobicContact CG2-CG 3.99Å; V577-E581 WeakPolarHBondContact O-CB 3.3Å; V577-E581 VanDerWaalsContact O-CG 3.27Å; V577-E581 WeakPolarHBondContact O-CG 3.44Å; V577-E581 PolarHBondContact O-N 3.21Å; Y578-E581 PolarHBondContact O-N 3.24Å; E581-D583 VanDerWaalsContact C-N 3.29Å; E581-D583 PolarHBondContact O-N 2.77Å; E581-S584 PolarHBondContact O-N 3.12Å; E581-T587 VanDerWaalsContact O-CB 3.27Å; E581-T587 WeakPolarHBondContact O-CB 3.36Å; E581-T587 PolarHBondContact O-OG1 3.42Å; E581-F589 HydrophobicContact CB-CB 4.45Å; E581-F589 HydrophobicContact CB-CD2 3.81Å; E581-F589 HydrophobicContact CB-CG 4.45Å; E581-F589 HydrophobicContact CG-CD2 3.7Å; E581-F589 HydrophobicContact CG-CE2 3.97Å; E581-P613 HydrophobicContact CG-CB 4.28Å; E581-P613 WeakPolarHBondContact OE1-CA 3.49Å; E581-P613 VanDerWaalsContact OE1-CB 3.3Å; E581-P613 WeakPolarHBondContact OE1-CB 3.31Å; E581-P613 WeakPolarHBondContact OE2-CA 3.43Å; E581-V614 PolarHBondContact OE1-N 2.66Å; E581-V614 VanDerWaalsContact OE2-CG2 3.29Å; E581-V614 WeakPolarHBondContact OE2-CG2 3.37Å; E581-V614 PolarHBondContact OE2-N 3.42Å; E581-T615 WeakPolarHBondContact OE1-CA 3.28Å; E581-T615 VanDerWaalsContact OE1-CB 3.22Å; E581-T615 WeakPolarHBondContact OE1-CB 3.49Å; E581-T615 WeakPolarHBondContact OE1-CG2 3.3Å; E581-T615 PolarHBondContact OE1-N 3.16Å; E581-T615 PolarHBondContact OE1-OG1 2.95Å; E581-G618 WeakPolarHBondContact OE1-CA 3.35Å
582	V	92.9	Very high	93.9	Very high	67 Å²	67	70.5 Å²	70.5	41%	0.406	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.3	-175.9	67.3	0	0	0	0	113.2	Y578 S584	Y578-V582 WeakPolarHBondContact O-CB 3.47Å; Y578-V582 PolarHBondContact O-N 3.42Å; V582-S584 VanDerWaalsContact C-N 3.25Å; V582-S584 PolarHBondContact O-N 2.84Å
583	D	89.6	Confident	93.8	Very high	152 Å²	152	69.7 Å²	69.7	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	7.1	-178.3	-59.1	-39.7	0	0	0	113.8	E581	E581-D583 VanDerWaalsContact C-N 3.29Å; E581-D583 PolarHBondContact O-N 2.77Å
584	S	88.3	Confident	93.7	Very high	30 Å²	30	72 Å²	72	21%	0.21	36%	0.361	C	S	.	.			trans	-107.5	119.3	-177.5	-165.2	0	0	0	0	112.9	E581 V582 R586 T587 V614	E581-S584 PolarHBondContact O-N 3.12Å; V582-S584 VanDerWaalsContact C-N 3.25Å; V582-S584 PolarHBondContact O-N 2.84Å; S584-R586 PolarHBondContact O-N 3.42Å; S584-T587 WeakPolarHBondContact O-CB 3.32Å; S584-T587 VanDerWaalsContact O-CG2 3.22Å; S584-T587 WeakPolarHBondContact O-CG2 3.38Å; S584-T587 PolarHBondContact O-N 3.37Å; S584-V614 WeakPolarHBondContact OG-CG2 3.16Å
585	D	83	Confident	93.6	Very high	174 Å²	174	72 Å²	72	93%	0.93	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.5	177.4	-54.6	-48.2	0	0	0	114.2
586	R	87	Confident	93.6	Very high	207 Å²	207	74 Å²	74	78%	0.781	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	19	-179	-53.5	-173.4	77.7	166.8	6.3	112.6	S584	S584-R586 PolarHBondContact O-N 3.42Å
587	T	90	Very high	93.6	Very high	39 Å²	39	77.9 Å²	77.9	24%	0.239	37%	0.372	C	S	.	.			trans	-65.9	141.3	178.9	-170.7	0	0	0	0	112.6	E581 S584 F589	E581-T587 VanDerWaalsContact O-CB 3.27Å; E581-T587 WeakPolarHBondContact O-CB 3.36Å; E581-T587 PolarHBondContact O-OG1 3.42Å; S584-T587 WeakPolarHBondContact O-CB 3.32Å; S584-T587 VanDerWaalsContact O-CG2 3.22Å; S584-T587 WeakPolarHBondContact O-CG2 3.38Å; S584-T587 PolarHBondContact O-N 3.37Å; T587-F589 PolarHBondContact OG1-N 2.83Å; T587-F589 VanDerWaalsContact OG1-N 3.09Å
588	Y	92.3	Very high	93.7	Very high	94 Å²	94	78.4 Å²	78.4	37%	0.369	37%	0.374	S	S	.	.	S	Bend	trans	-91.5	-14.3	169.1	-62.6	-87.9	0	0	0	111.5	R590 M611 R612 V614	Y588-R590 PolarHBondContact O-N 2.84Å; Y588-M611 WeakPolarHBondContact O-CE 3.43Å; Y588-R612 WeakPolarHBondContact CD2-O 3.37Å; Y588-R612 HydrophobicContact CE2-CG 4.31Å; Y588-R612 PolarHBondContact OH-NH2 3.39Å; Y588-V614 HydrophobicContact CE2-CG1 4.34Å
589	F	94.4	Very high	93.7	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.009	36%	0.363	C	S	.	.			trans	-92.8	75.4	-168.9	-59.5	-85.1	0	0	0	111.7	V577 Y578 E581 T587 A595 W598 M611 P613	V577-F589 HydrophobicContact CB-CE1 4.46Å; V577-F589 HydrophobicContact CG1-CD1 3.69Å; V577-F589 HydrophobicContact CG1-CE1 3.64Å; V577-F589 HydrophobicContact CG1-CG 4.37Å; V577-F589 HydrophobicContact CG1-CZ 4.32Å; V577-F589 HydrophobicContact CG2-CD1 4.34Å; V577-F589 HydrophobicContact CG2-CD2 4.37Å; V577-F589 HydrophobicContact CG2-CE1 3.91Å; V577-F589 HydrophobicContact CG2-CE2 3.97Å; V577-F589 HydrophobicContact CG2-CZ 3.72Å; Y578-F589 WeakPolarHBondContact CD2-O 3.3Å; Y578-F589 WeakPolarHBondContact CE2-O 3.5Å; E581-F589 HydrophobicContact CB-CB 4.45Å; E581-F589 HydrophobicContact CB-CD2 3.81Å; E581-F589 HydrophobicContact CB-CG 4.45Å; E581-F589 HydrophobicContact CG-CD2 3.7Å; E581-F589 HydrophobicContact CG-CE2 3.97Å; T587-F589 PolarHBondContact OG1-N 2.83Å; T587-F589 VanDerWaalsContact OG1-N 3.09Å; F589-A595 HydrophobicContact CD1-CB 3.8Å; F589-A595 HydrophobicContact CE1-CB 4.45Å; F589-W598 HydrophobicContact CE1-CB 3.74Å; F589-W598 AromaticContact CE1-CD2 3.63Å; F589-W598 HydrophobicContact CE1-CD2 3.63Å; F589-W598 AromaticContact CE1-CE3 3.93Å; F589-W598 HydrophobicContact CE1-CE3 3.93Å; F589-W598 AromaticContact CE1-CG 3.54Å; F589-W598 HydrophobicContact CE1-CG 3.54Å; F589-W598 HydrophobicContact CZ-CB 4.4Å; F589-W598 AromaticContact CZ-CD1 3.99Å; F589-W598 AromaticContact CZ-CD2 3.85Å; F589-W598 HydrophobicContact CZ-CD2 3.85Å; F589-W598 HydrophobicContact CZ-CE3 4.43Å; F589-W598 AromaticContact CZ-CG 3.81Å; F589-W598 HydrophobicContact CZ-CG 3.81Å; F589-M611 HydrophobicContact CD1-CE 3.64Å; F589-M611 HydrophobicContact CE1-CE 3.85Å; F589-M611 HydrophobicContact CG-CE 4.28Å; F589-P613 HydrophobicContact CE2-CB 4.39Å
590	R	92.1	Very high	93.7	Very high	213 Å²	213	71.5 Å²	71.5	80%	0.804	35%	0.349	S	S	*	.			trans	-72.3	-30.3	-176.1	-65	-177.2	176.9	-172	-0.5	114.1	Y588	Y588-R590 PolarHBondContact O-N 2.84Å
591	S	95.1	Very high	93.8	Very high	36 Å²	36	70.8 Å²	70.8	25%	0.252	34%	0.343	S	S	.	.	S	Bend	trans	-149.5	162.4	177.6	74.4	0	0	0	0	111.4	P593 D594 A595	S591-P593 WeakPolarHBondContact OG-CD 3.33Å; S591-D594 WeakPolarHBondContact CB-OD2 3.35Å; S591-D594 PolarHBondContact N-OD2 3.18Å; S591-D594 PolarHBondContact O-N 3.18Å; S591-D594 PolarHBondContact OG-N 2.74Å; S591-D594 PolarHBondContact OG-OD2 3Å; S591-A595 PolarHBondContact O-N 3.13Å
592	I	96.2	Very high	93.9	Very high	53 Å²	53	71.9 Å²	71.9	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-41.1	176.1	-59.6	172.9	0	0	0	111.7	Y578 D594 A595 F596	Y578-I592 HydrophobicContact CD1-CD1 4.19Å; Y578-I592 HydrophobicContact CD1-CG1 3.7Å; Y578-I592 HydrophobicContact CD2-CG1 4.47Å; Y578-I592 HydrophobicContact CE1-CG1 4.26Å; Y578-I592 HydrophobicContact CG-CG1 3.82Å; I592-D594 PolarHBondContact O-N 3.46Å; I592-A595 CarbonylContact O-C 3.52Å; I592-A595 WeakPolarHBondContact O-CA 3.32Å; I592-A595 WeakPolarHBondContact O-CB 3.48Å; I592-A595 PolarHBondContact O-N 3.06Å; I592-A595 VanDerWaalsContact O-N 3.12Å; I592-F596 HydrophobicContact CG2-CD1 4.46Å; I592-F596 HydrophobicContact CG2-CE1 3.72Å; I592-F596 HydrophobicContact CG2-CZ 4.08Å; I592-F596 WeakPolarHBondContact O-CD1 3.36Å; I592-F596 PolarHBondContact O-N 3.36Å; I592-F596 VanDerWaalsContact O-N 3.07Å
593	P	96.5	Very high	94.1	Very high	83 Å²	83	68.8 Å²	68.8	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-39.5	171.4	-27.8	36.9	0	0	0	114.6	S591 A595 F596	S591-P593 WeakPolarHBondContact OG-CD 3.33Å; P593-A595 VanDerWaalsContact C-N 3.26Å; P593-A595 PolarHBondContact O-N 3.41Å; P593-F596 HydrophobicContact CB-CD2 4.41Å; P593-F596 VanDerWaalsContact O-CB 3.32Å; P593-F596 WeakPolarHBondContact O-CB 3.39Å; P593-F596 PolarHBondContact O-N 3.31Å; P593-F596 VanDerWaalsContact O-N 3.09Å
594	D	94.7	Very high	94.4	Very high	73 Å²	73	63.8 Å²	63.8	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-37.5	173.5	-58	-46.4	0	0	0	110.6	S591 I592 F596 W597 M611	S591-D594 WeakPolarHBondContact CB-OD2 3.35Å; S591-D594 PolarHBondContact N-OD2 3.18Å; S591-D594 PolarHBondContact O-N 3.18Å; S591-D594 PolarHBondContact OG-N 2.74Å; S591-D594 PolarHBondContact OG-OD2 3Å; I592-D594 PolarHBondContact O-N 3.46Å; D594-F596 VanDerWaalsContact C-N 3.25Å; D594-F596 PolarHBondContact O-N 2.95Å; D594-W597 WeakPolarHBondContact O-CB 3.49Å; D594-W597 PolarHBondContact O-N 3.08Å; D594-M611 HydrophobicContact CB-CE 4.35Å
595	A	97.1	Very high	94.8	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-19.6	175	0	0	0	0	0	113.6	S574 V577 F589 S591 I592 P593 W597 W598 A599	S574-A595 PolarHBondContact OG-O 3.43Å; V577-A595 HydrophobicContact CG1-CB 3.96Å; F589-A595 HydrophobicContact CD1-CB 3.8Å; F589-A595 HydrophobicContact CE1-CB 4.45Å; S591-A595 PolarHBondContact O-N 3.13Å; I592-A595 CarbonylContact O-C 3.52Å; I592-A595 WeakPolarHBondContact O-CA 3.32Å; I592-A595 WeakPolarHBondContact O-CB 3.48Å; I592-A595 PolarHBondContact O-N 3.06Å; I592-A595 VanDerWaalsContact O-N 3.12Å; P593-A595 VanDerWaalsContact C-N 3.26Å; P593-A595 PolarHBondContact O-N 3.41Å; A595-W597 VanDerWaalsContact C-N 3.34Å; A595-W598 PolarHBondContact O-N 2.78Å; A595-A599 PolarHBondContact O-N 2.89Å
596	F	97.7	Very high	95.5	Very high	74 Å²	74	62.3 Å²	62.3	33%	0.325	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-39.8	172.6	-64.7	-23.5	0	0	0	111.4	V570 I571 S574 I592 P593 D594 A599 V600	V570-F596 HydrophobicContact CG1-CB 3.86Å; V570-F596 HydrophobicContact CG1-CD1 3.58Å; V570-F596 HydrophobicContact CG1-CE1 4.38Å; V570-F596 HydrophobicContact CG1-CG 3.88Å; I571-F596 HydrophobicContact CG1-CE1 4.19Å; I571-F596 HydrophobicContact CG1-CZ 4.28Å; S574-F596 VanDerWaalsContact CB-CD1 3.49Å; S574-F596 VanDerWaalsContact OG-CA 3.29Å; S574-F596 WeakPolarHBondContact OG-CA 3.34Å; S574-F596 WeakPolarHBondContact OG-CD1 3.37Å; S574-F596 PolarHBondContact OG-N 3.31Å; I592-F596 HydrophobicContact CG2-CD1 4.46Å; I592-F596 HydrophobicContact CG2-CE1 3.72Å; I592-F596 HydrophobicContact CG2-CZ 4.08Å; I592-F596 WeakPolarHBondContact O-CD1 3.36Å; I592-F596 PolarHBondContact O-N 3.36Å; I592-F596 VanDerWaalsContact O-N 3.07Å; P593-F596 HydrophobicContact CB-CD2 4.41Å; P593-F596 VanDerWaalsContact O-CB 3.32Å; P593-F596 WeakPolarHBondContact O-CB 3.39Å; P593-F596 PolarHBondContact O-N 3.31Å; P593-F596 VanDerWaalsContact O-N 3.09Å; D594-F596 VanDerWaalsContact C-N 3.25Å; D594-F596 PolarHBondContact O-N 2.95Å; F596-A599 PolarHBondContact O-N 2.94Å; F596-V600 WeakPolarHBondContact O-CG2 3.45Å; F596-V600 PolarHBondContact O-N 3.44Å
597	W	97.6	Very high	95.9	Very high	117 Å²	117	55 Å²	55	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-57.6	-51.8	176.4	170	-113	0	0	0	111.2	D594 A595 A599 V600 V601 Y608 D610	D594-W597 WeakPolarHBondContact O-CB 3.49Å; D594-W597 PolarHBondContact O-N 3.08Å; A595-W597 VanDerWaalsContact C-N 3.34Å; W597-A599 PolarHBondContact O-N 3.12Å; W597-V600 PolarHBondContact O-N 2.92Å; W597-V601 HydrophobicContact CD2-CG2 3.98Å; W597-V601 HydrophobicContact CE3-CG2 4.08Å; W597-V601 HydrophobicContact CH2-CG2 4.04Å; W597-V601 HydrophobicContact CZ2-CG2 3.92Å; W597-V601 HydrophobicContact CZ3-CG2 4.11Å; W597-V601 WeakPolarHBondContact O-CB 3.38Å; W597-V601 VanDerWaalsContact O-CG2 3.28Å; W597-V601 WeakPolarHBondContact O-CG2 3.22Å; W597-V601 PolarHBondContact O-N 3.43Å; W597-Y608 HydrophobicContact CH2-CD2 4.12Å; W597-Y608 AromaticContact CH2-CE2 3.61Å; W597-Y608 HydrophobicContact CH2-CE2 3.61Å; W597-Y608 AromaticContact CZ2-CD2 3.61Å; W597-Y608 HydrophobicContact CZ2-CD2 3.61Å; W597-Y608 AromaticContact CZ2-CE2 3.59Å; W597-Y608 HydrophobicContact CZ2-CE2 3.59Å; W597-D610 PolarHBondContact NE1-OD2 2.96Å
598	W	97.8	Very high	96.2	Very high	11 Å²	11	60.5 Å²	60.5	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-43	176.5	170.4	79.8	0	0	0	112.9	V577 F589 A595 V601 T602 M611 P613 C625	V577-W598 HydrophobicContact CB-CE3 4.22Å; V577-W598 HydrophobicContact CB-CH2 3.91Å; V577-W598 HydrophobicContact CB-CZ3 3.59Å; V577-W598 HydrophobicContact CG1-CE3 3.66Å; V577-W598 HydrophobicContact CG1-CH2 4.28Å; V577-W598 HydrophobicContact CG1-CZ3 3.5Å; V577-W598 HydrophobicContact CG2-CE3 4.36Å; V577-W598 HydrophobicContact CG2-CH2 3.78Å; V577-W598 HydrophobicContact CG2-CZ2 4.24Å; V577-W598 HydrophobicContact CG2-CZ3 3.87Å; F589-W598 HydrophobicContact CE1-CB 3.74Å; F589-W598 AromaticContact CE1-CD2 3.63Å; F589-W598 HydrophobicContact CE1-CD2 3.63Å; F589-W598 AromaticContact CE1-CE3 3.93Å; F589-W598 HydrophobicContact CE1-CE3 3.93Å; F589-W598 AromaticContact CE1-CG 3.54Å; F589-W598 HydrophobicContact CE1-CG 3.54Å; F589-W598 HydrophobicContact CZ-CB 4.4Å; F589-W598 AromaticContact CZ-CD1 3.99Å; F589-W598 AromaticContact CZ-CD2 3.85Å; F589-W598 HydrophobicContact CZ-CD2 3.85Å; F589-W598 HydrophobicContact CZ-CE3 4.43Å; F589-W598 AromaticContact CZ-CG 3.81Å; F589-W598 HydrophobicContact CZ-CG 3.81Å; A595-W598 PolarHBondContact O-N 2.78Å; W598-V601 PolarHBondContact O-N 2.96Å; W598-T602 PolarHBondContact NE1-OG1 2.72Å; W598-T602 VanDerWaalsContact O-CB 3.24Å; W598-T602 WeakPolarHBondContact O-CB 3.21Å; W598-T602 PolarHBondContact O-N 3.49Å; W598-T602 PolarHBondContact O-OG1 2.67Å; W598-M611 HydrophobicContact CB-CB 4.05Å; W598-M611 HydrophobicContact CB-CE 4.29Å; W598-M611 HydrophobicContact CB-SD 4.33Å; W598-M611 VanDerWaalsContact CD1-O 3.3Å; W598-M611 HydrophobicContact CG-CB 4.38Å; W598-P613 HydrophobicContact CZ2-CG 4.32Å; W598-C625 HydrophobicContact CH2-CB 4.3Å
599	A	97.8	Very high	96.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-44.5	-179.6	0	0	0	0	0	111.8	V570 S574 A595 F596 W597 T602 M603	V570-A599 HydrophobicContact CG1-CB 4.38Å; V570-A599 HydrophobicContact CG2-CB 4.35Å; S574-A599 WeakPolarHBondContact OG-CB 3.46Å; A595-A599 PolarHBondContact O-N 2.89Å; F596-A599 PolarHBondContact O-N 2.94Å; W597-A599 PolarHBondContact O-N 3.12Å; A599-T602 PolarHBondContact O-N 3.14Å; A599-M603 VanDerWaalsContact O-CB 3.28Å; A599-M603 WeakPolarHBondContact O-CB 3.43Å; A599-M603 VanDerWaalsContact O-CG 3.26Å; A599-M603 WeakPolarHBondContact O-CG 3.4Å; A599-M603 PolarHBondContact O-N 3.01Å
600	V	97.1	Very high	96.3	Very high	53 Å²	53	60.8 Å²	60.8	32%	0.321	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-49.2	175.2	172.7	0	0	0	0	110.9	V570 F596 W597 T602 M603 T604	V570-V600 HydrophobicContact CG1-CG2 4.33Å; V570-V600 HydrophobicContact CG2-CG2 3.63Å; F596-V600 WeakPolarHBondContact O-CG2 3.45Å; F596-V600 PolarHBondContact O-N 3.44Å; W597-V600 PolarHBondContact O-N 2.92Å; V600-T602 VanDerWaalsContact C-N 3.29Å; V600-T602 PolarHBondContact O-N 3.07Å; V600-M603 PolarHBondContact O-N 3.31Å; V600-T604 WeakPolarHBondContact O-CB 3.16Å; V600-T604 WeakPolarHBondContact O-CG2 3.35Å; V600-T604 PolarHBondContact O-N 3.47Å; V600-T604 PolarHBondContact O-OG1 3.11Å
601	V	97.4	Very high	96.4	Very high	8 Å²	8	52 Å²	52	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-33.3	-179.4	169.1	0	0	0	0	112.3	W597 W598 V606 G607 Y608	W597-V601 HydrophobicContact CD2-CG2 3.98Å; W597-V601 HydrophobicContact CE3-CG2 4.08Å; W597-V601 HydrophobicContact CH2-CG2 4.04Å; W597-V601 HydrophobicContact CZ2-CG2 3.92Å; W597-V601 HydrophobicContact CZ3-CG2 4.11Å; W597-V601 WeakPolarHBondContact O-CB 3.38Å; W597-V601 VanDerWaalsContact O-CG2 3.28Å; W597-V601 WeakPolarHBondContact O-CG2 3.22Å; W597-V601 PolarHBondContact O-N 3.43Å; W598-V601 PolarHBondContact O-N 2.96Å; V601-V606 HydrophobicContact CG1-CB 4.24Å; V601-V606 HydrophobicContact CG1-CG1 4.37Å; V601-V606 PolarHBondContact O-N 3.5Å; V601-G607 PolarHBondContact O-N 2.98Å; V601-G607 VanDerWaalsContact O-N 3.09Å; V601-Y608 HydrophobicContact CB-CD2 4.39Å; V601-Y608 HydrophobicContact CG1-CD2 3.64Å; V601-Y608 HydrophobicContact CG1-CE2 4.3Å; V601-Y608 HydrophobicContact CG1-CG 4.23Å; V601-Y608 HydrophobicContact CG2-CD2 3.74Å; V601-Y608 HydrophobicContact CG2-CE2 3.84Å
602	T	97.3	Very high	96.4	Very high	24 Å²	24	56 Å²	56	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-76.6	-46.8	176.6	-58.3	0	0	0	0	111.5	W598 A599 V600 T604 T605 C625 A626	W598-T602 PolarHBondContact NE1-OG1 2.72Å; W598-T602 VanDerWaalsContact O-CB 3.24Å; W598-T602 WeakPolarHBondContact O-CB 3.21Å; W598-T602 PolarHBondContact O-N 3.49Å; W598-T602 PolarHBondContact O-OG1 2.67Å; A599-T602 PolarHBondContact O-N 3.14Å; V600-T602 VanDerWaalsContact C-N 3.29Å; V600-T602 PolarHBondContact O-N 3.07Å; T602-T604 VanDerWaalsContact C-N 3.34Å; T602-T604 PolarHBondContact O-N 2.87Å; T602-T605 PolarHBondContact O-N 2.94Å; T602-C625 HydrophobicContact CG2-CB 4.34Å; T602-A626 HydrophobicContact CG2-CB 4.13Å
603	M	96.3	Very high	96.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-36.5	-179.6	-76.8	-177.9	67.1	0	0	113.1	L566 C569 V570 A599 V600 T605 G629 T632	L566-M603 HydrophobicContact CG-CE 4.3Å; C569-M603 HydrophobicContact CB-CE 3.32Å; C569-M603 HydrophobicContact CB-SD 3.62Å; V570-M603 HydrophobicContact CG2-SD 3.86Å; A599-M603 VanDerWaalsContact O-CB 3.28Å; A599-M603 WeakPolarHBondContact O-CB 3.43Å; A599-M603 VanDerWaalsContact O-CG 3.26Å; A599-M603 WeakPolarHBondContact O-CG 3.4Å; A599-M603 PolarHBondContact O-N 3.01Å; V600-M603 PolarHBondContact O-N 3.31Å; M603-T605 PolarHBondContact O-N 2.95Å; M603-G629 CarbonylContact O-C 3.56Å; M603-G629 WeakPolarHBondContact O-CA 3.17Å; M603-T632 HydrophobicContact CE-CG2 4.39Å
604	T	96.2	Very high	96.3	Very high	47 Å²	47	53 Å²	53	29%	0.288	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.2	174.8	56.2	0	0	0	0	113.2	V600 T602 V606 I633	V600-T604 WeakPolarHBondContact O-CB 3.16Å; V600-T604 WeakPolarHBondContact O-CG2 3.35Å; V600-T604 PolarHBondContact O-N 3.47Å; V600-T604 PolarHBondContact O-OG1 3.11Å; T602-T604 VanDerWaalsContact C-N 3.34Å; T602-T604 PolarHBondContact O-N 2.87Å; T604-V606 PolarHBondContact O-N 3.3Å; T604-V606 WeakPolarHBondContact OG1-CG2 3.23Å; T604-I633 HydrophobicContact CG2-CD1 4.2Å
605	T	97	Very high	96.4	Very high	98 Å²	98	51.1 Å²	51.1	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	18.4	-178.7	66.9	0	0	0	0	115.4	T602 M603 V630	T602-T605 PolarHBondContact O-N 2.94Å; M603-T605 PolarHBondContact O-N 2.95Å; T605-V630 HydrophobicContact CG2-CG2 3.6Å
606	V	97.3	Very high	96.3	Very high	76 Å²	76	58.3 Å²	58.3	46%	0.461	31%	0.312	S	S	.	.			trans	-72.7	-44	179.5	172.7	0	0	0	0	111.6	V601 T604 Y608	V601-V606 HydrophobicContact CG1-CB 4.24Å; V601-V606 HydrophobicContact CG1-CG1 4.37Å; V601-V606 PolarHBondContact O-N 3.5Å; T604-V606 PolarHBondContact O-N 3.3Å; T604-V606 WeakPolarHBondContact OG1-CG2 3.23Å; V606-Y608 HydrophobicContact CG1-CD1 4Å; V606-Y608 HydrophobicContact CG1-CD2 4.1Å; V606-Y608 HydrophobicContact CG1-CE1 3.61Å; V606-Y608 HydrophobicContact CG1-CE2 3.71Å; V606-Y608 HydrophobicContact CG1-CG 4.22Å; V606-Y608 VanDerWaalsContact CG1-CZ 3.46Å; V606-Y608 PolarHBondContact O-N 3.37Å
607	G	95.4	Very high	96.2	Very high	53 Å²	53	63.5 Å²	63.5	55%	0.546	33%	0.33	S	S	.	.			trans	57.2	49.8	166.6	0	0	0	0	0	117	V601 G609	V601-G607 PolarHBondContact O-N 2.98Å; V601-G607 VanDerWaalsContact O-N 3.09Å; G607-G609 PolarHBondContact O-N 3.4Å; G607-G609 VanDerWaalsContact O-N 3.12Å
608	Y	96.6	Very high	96.1	Very high	154 Å²	154	57.9 Å²	57.9	60%	0.604	31%	0.309	S	S	*	.			trans	-54.9	-29.9	-179.8	-64.5	-58.5	0	0	0	115.1	W597 V601 V606 D610	W597-Y608 HydrophobicContact CH2-CD2 4.12Å; W597-Y608 AromaticContact CH2-CE2 3.61Å; W597-Y608 HydrophobicContact CH2-CE2 3.61Å; W597-Y608 AromaticContact CZ2-CD2 3.61Å; W597-Y608 HydrophobicContact CZ2-CD2 3.61Å; W597-Y608 AromaticContact CZ2-CE2 3.59Å; W597-Y608 HydrophobicContact CZ2-CE2 3.59Å; V601-Y608 HydrophobicContact CB-CD2 4.39Å; V601-Y608 HydrophobicContact CG1-CD2 3.64Å; V601-Y608 HydrophobicContact CG1-CE2 4.3Å; V601-Y608 HydrophobicContact CG1-CG 4.23Å; V601-Y608 HydrophobicContact CG2-CD2 3.74Å; V601-Y608 HydrophobicContact CG2-CE2 3.84Å; V606-Y608 HydrophobicContact CG1-CD1 4Å; V606-Y608 HydrophobicContact CG1-CD2 4.1Å; V606-Y608 HydrophobicContact CG1-CE1 3.61Å; V606-Y608 HydrophobicContact CG1-CE2 3.71Å; V606-Y608 HydrophobicContact CG1-CG 4.22Å; V606-Y608 VanDerWaalsContact CG1-CZ 3.46Å; V606-Y608 PolarHBondContact O-N 3.37Å; Y608-D610 VanDerWaalsContact C-N 3.3Å; Y608-D610 PolarHBondContact O-N 2.71Å
609	G	94.1	Very high	96.1	Very high	39 Å²	39	62.1 Å²	62.1	40%	0.402	33%	0.328	S	S	.	.	S	Bend	trans	81.5	2.5	176.9	0	0	0	0	0	115.7	G607 R612	G607-G609 PolarHBondContact O-N 3.4Å; G607-G609 VanDerWaalsContact O-N 3.12Å; G609-R612 PolarHBondContact O-NH1 3.35Å; G609-R612 VanDerWaalsContact O-NH1 3.08Å
610	D	95.5	Very high	96	Very high	64 Å²	64	66.4 Å²	66.4	34%	0.342	35%	0.35	S	S	.	.	S	Bend	trans	-64.1	-39.1	173.1	62.8	-34.3	0	0	0	112.4	W597 Y608	W597-D610 PolarHBondContact NE1-OD2 2.96Å; Y608-D610 VanDerWaalsContact C-N 3.3Å; Y608-D610 PolarHBondContact O-N 2.71Å
611	M	94.5	Very high	96.1	Very high	27 Å²	27	64.9 Å²	64.9	13%	0.133	34%	0.341	C	S	.	.	S	Bend	trans	-114.9	134.7	167.2	-64.1	-177.5	66.5	0	0	109.9	Y588 F589 D594 W598	Y588-M611 WeakPolarHBondContact O-CE 3.43Å; F589-M611 HydrophobicContact CD1-CE 3.64Å; F589-M611 HydrophobicContact CE1-CE 3.85Å; F589-M611 HydrophobicContact CG-CE 4.28Å; D594-M611 HydrophobicContact CB-CE 4.35Å; W598-M611 HydrophobicContact CB-CB 4.05Å; W598-M611 HydrophobicContact CB-CE 4.29Å; W598-M611 HydrophobicContact CB-SD 4.33Å; W598-M611 VanDerWaalsContact CD1-O 3.3Å; W598-M611 HydrophobicContact CG-CB 4.38Å
612	R	95.3	Very high	96	Very high	122 Å²	122	65 Å²	65	46%	0.46	34%	0.344	S	S	.	.			trans	-155.4	143	177.6	61.8	-170.3	180	-80.8	-8.1	111.4	Y588 G609	Y588-R612 WeakPolarHBondContact CD2-O 3.37Å; Y588-R612 HydrophobicContact CE2-CG 4.31Å; Y588-R612 PolarHBondContact OH-NH2 3.39Å; G609-R612 PolarHBondContact O-NH1 3.35Å; G609-R612 VanDerWaalsContact O-NH1 3.08Å
613	P	95.7	Very high	96	Very high	21 Å²	21	67.2 Å²	67.2	14%	0.136	36%	0.36	C	S	.	.			trans	-69	132.6	174.6	27.7	-33.7	0	0	0	111.7	V577 E581 F589 W598 G618 K619	V577-P613 HydrophobicContact CG2-CB 4.34Å; E581-P613 HydrophobicContact CG-CB 4.28Å; E581-P613 WeakPolarHBondContact OE1-CA 3.49Å; E581-P613 VanDerWaalsContact OE1-CB 3.3Å; E581-P613 WeakPolarHBondContact OE1-CB 3.31Å; E581-P613 WeakPolarHBondContact OE2-CA 3.43Å; F589-P613 HydrophobicContact CE2-CB 4.39Å; W598-P613 HydrophobicContact CZ2-CG 4.32Å; P613-G618 WeakPolarHBondContact CB-O 3.31Å; P613-G618 WeakPolarHBondContact CG-O 3.45Å; P613-K619 HydrophobicContact CB-CG 4.44Å; P613-K619 HydrophobicContact CG-CG 4.2Å
614	V	94.6	Very high	96.1	Very high	50 Å²	50	71.7 Å²	71.7	30%	0.303	38%	0.383	S	S	.	.			trans	-95.5	-31.1	176	-65.1	0	0	0	0	112	E581 S584 Y588 K619	E581-V614 PolarHBondContact OE1-N 2.66Å; E581-V614 VanDerWaalsContact OE2-CG2 3.29Å; E581-V614 WeakPolarHBondContact OE2-CG2 3.37Å; E581-V614 PolarHBondContact OE2-N 3.42Å; S584-V614 WeakPolarHBondContact OG-CG2 3.16Å; Y588-V614 HydrophobicContact CE2-CG1 4.34Å; V614-K619 WeakPolarHBondContact O-CE 3.44Å; V614-K619 PolarHBondContact O-NZ 3.49Å
615	T	95.7	Very high	96.2	Very high	34 Å²	34	69.4 Å²	69.4	21%	0.209	37%	0.37	C	S	.	.	S	Bend	trans	-75.8	163.6	-179.5	76.7	0	0	0	0	112.2	A580 E581 W617 G618 K619	A580-T615 WeakPolarHBondContact O-CG2 3.43Å; A580-T615 PolarHBondContact O-OG1 3.26Å; A580-T615 VanDerWaalsContact O-OG1 3.13Å; E581-T615 WeakPolarHBondContact OE1-CA 3.28Å; E581-T615 VanDerWaalsContact OE1-CB 3.22Å; E581-T615 WeakPolarHBondContact OE1-CB 3.49Å; E581-T615 WeakPolarHBondContact OE1-CG2 3.3Å; E581-T615 PolarHBondContact OE1-N 3.16Å; E581-T615 PolarHBondContact OE1-OG1 2.95Å; T615-W617 PolarHBondContact OG1-N 3.26Å; T615-G618 PolarHBondContact OG1-N 3.24Å; T615-K619 WeakPolarHBondContact O-CB 3.29Å; T615-K619 VanDerWaalsContact O-CD 3.28Å; T615-K619 WeakPolarHBondContact O-CD 3.49Å; T615-K619 WeakPolarHBondContact O-CG 3.47Å; T615-K619 PolarHBondContact O-N 3.17Å; T615-K619 VanDerWaalsContact O-N 3.15Å
616	M	95.1	Very high	96.2	Very high	151 Å²	151	66.5 Å²	66.5	74%	0.744	36%	0.355	S	S	*	.	H	α-helix	trans	-67.6	-37.2	174.2	-66.4	-60.6	-70.3	0	0	112.1	K619 L620	M616-K619 PolarHBondContact O-N 3.2Å; M616-L620 PolarHBondContact O-N 3.27Å
617	W	95.2	Very high	96.2	Very high	183 Å²	183	67.9 Å²	67.9	69%	0.693	36%	0.359	S	S	*	.	H	α-helix	trans	-70.1	-45	178.5	-71.3	115.6	0	0	0	112	A580 T615 K619 L620 V621	A580-W617 HydrophobicContact CB-CB 3.86Å; T615-W617 PolarHBondContact OG1-N 3.26Å; W617-K619 VanDerWaalsContact C-N 3.27Å; W617-K619 PolarHBondContact O-N 3.29Å; W617-L620 HydrophobicContact CE3-CD2 4.13Å; W617-L620 HydrophobicContact CZ3-CD2 4.17Å; W617-L620 WeakPolarHBondContact O-CB 3.42Å; W617-L620 PolarHBondContact O-N 2.9Å; W617-L620 VanDerWaalsContact O-N 3.1Å; W617-V621 WeakPolarHBondContact O-CG2 3.2Å; W617-V621 PolarHBondContact O-N 3.3Å
618	G	96.3	Very high	96.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-36.2	174.4	0	0	0	0	0	112.2	E581 P613 T615 V621 G622	E581-G618 WeakPolarHBondContact OE1-CA 3.35Å; P613-G618 WeakPolarHBondContact CB-O 3.31Å; P613-G618 WeakPolarHBondContact CG-O 3.45Å; T615-G618 PolarHBondContact OG1-N 3.24Å; G618-V621 PolarHBondContact O-N 3.3Å; G618-G622 PolarHBondContact O-N 3.4Å
619	K	97	Very high	96.2	Very high	100 Å²	100	59 Å²	59	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-39.6	172.6	-73.7	163.8	-176.8	153.4	0	112.5	P613 V614 T615 M616 W617 G622 S623	P613-K619 HydrophobicContact CB-CG 4.44Å; P613-K619 HydrophobicContact CG-CG 4.2Å; V614-K619 WeakPolarHBondContact O-CE 3.44Å; V614-K619 PolarHBondContact O-NZ 3.49Å; T615-K619 WeakPolarHBondContact O-CB 3.29Å; T615-K619 VanDerWaalsContact O-CD 3.28Å; T615-K619 WeakPolarHBondContact O-CD 3.49Å; T615-K619 WeakPolarHBondContact O-CG 3.47Å; T615-K619 PolarHBondContact O-N 3.17Å; T615-K619 VanDerWaalsContact O-N 3.15Å; M616-K619 PolarHBondContact O-N 3.2Å; W617-K619 VanDerWaalsContact C-N 3.27Å; W617-K619 PolarHBondContact O-N 3.29Å; K619-G622 PolarHBondContact O-N 2.94Å; K619-S623 PolarHBondContact O-N 3.31Å; K619-S623 PolarHBondContact O-OG 2.93Å
620	L	97.6	Very high	96.3	Very high	89 Å²	89	60.9 Å²	60.9	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-47.9	174	-173.4	109.2	0	0	0	110.9	M616 W617 G622 S623 L624	M616-L620 PolarHBondContact O-N 3.27Å; W617-L620 HydrophobicContact CE3-CD2 4.13Å; W617-L620 HydrophobicContact CZ3-CD2 4.17Å; W617-L620 WeakPolarHBondContact O-CB 3.42Å; W617-L620 PolarHBondContact O-N 2.9Å; W617-L620 VanDerWaalsContact O-N 3.1Å; L620-G622 PolarHBondContact O-N 3.06Å; L620-S623 WeakPolarHBondContact O-CB 3.34Å; L620-S623 PolarHBondContact O-N 3.18Å; L620-S623 VanDerWaalsContact O-N 3.17Å; L620-L624 HydrophobicContact CD2-CD1 4.37Å; L620-L624 WeakPolarHBondContact O-CG 3.28Å; L620-L624 PolarHBondContact O-N 3.22Å
621	V	97.5	Very high	96.3	Very high	21 Å²	21	63.1 Å²	63.1	13%	0.127	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-44.9	175.5	174	0	0	0	0	111.1	F573 A576 V577 W617 G618 S623 L624 C625	F573-V621 HydrophobicContact CD1-CG1 4.15Å; A576-V621 HydrophobicContact CB-CG1 3.78Å; A576-V621 HydrophobicContact CB-CG2 4.18Å; V577-V621 HydrophobicContact CB-CG1 4.09Å; W617-V621 WeakPolarHBondContact O-CG2 3.2Å; W617-V621 PolarHBondContact O-N 3.3Å; G618-V621 PolarHBondContact O-N 3.3Å; V621-S623 VanDerWaalsContact C-N 3.34Å; V621-S623 PolarHBondContact O-N 3.19Å; V621-L624 PolarHBondContact O-N 3.17Å; V621-C625 VanDerWaalsContact O-CB 3.24Å; V621-C625 WeakPolarHBondContact O-CB 3.46Å; V621-C625 PolarHBondContact O-N 3.13Å
622	G	97.1	Very high	96.3	Very high	11 Å²	11	62.5 Å²	62.5	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-36.6	174.6	0	0	0	0	0	113.8	G618 K619 L620 C625 A626	G618-G622 PolarHBondContact O-N 3.4Å; K619-G622 PolarHBondContact O-N 2.94Å; L620-G622 PolarHBondContact O-N 3.06Å; G622-C625 PolarHBondContact O-N 3.05Å; G622-A626 PolarHBondContact O-N 3.32Å
623	S	96.9	Very high	96.2	Very high	71 Å²	71	59.2 Å²	59.2	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-44.1	174.6	-53.7	0	0	0	0	111.6	K619 L620 V621 I627	K619-S623 PolarHBondContact O-N 3.31Å; K619-S623 PolarHBondContact O-OG 2.93Å; L620-S623 WeakPolarHBondContact O-CB 3.34Å; L620-S623 PolarHBondContact O-N 3.18Å; L620-S623 VanDerWaalsContact O-N 3.17Å; V621-S623 VanDerWaalsContact C-N 3.34Å; V621-S623 PolarHBondContact O-N 3.19Å; S623-I627 WeakPolarHBondContact O-CG1 2.9Å; S623-I627 PolarHBondContact O-N 3.26Å
624	L	97.4	Very high	96.1	Very high	94 Å²	94	60.9 Å²	60.9	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-67.2	-40.3	176.4	-66.7	172.6	0	0	0	111.9	F573 L620 V621 I627 A628	F573-L624 HydrophobicContact CE1-CB 3.97Å; L620-L624 HydrophobicContact CD2-CD1 4.37Å; L620-L624 WeakPolarHBondContact O-CG 3.28Å; L620-L624 PolarHBondContact O-N 3.22Å; V621-L624 PolarHBondContact O-N 3.17Å; L624-I627 PolarHBondContact O-N 2.87Å; L624-A628 VanDerWaalsContact O-CB 3.31Å; L624-A628 WeakPolarHBondContact O-CB 3.45Å; L624-A628 PolarHBondContact O-N 3.4Å
625	C	97.9	Very high	95.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-45.8	176.9	-178.8	0	0	0	0	111.9	F573 W598 T602 V621 G622 A628 G629	F573-C625 HydrophobicContact CB-CB 4.05Å; F573-C625 HydrophobicContact CD1-CB 3.73Å; F573-C625 HydrophobicContact CD2-CB 4.1Å; F573-C625 HydrophobicContact CE1-CB 4.19Å; F573-C625 HydrophobicContact CG-CB 3.69Å; W598-C625 HydrophobicContact CH2-CB 4.3Å; T602-C625 HydrophobicContact CG2-CB 4.34Å; V621-C625 VanDerWaalsContact O-CB 3.24Å; V621-C625 WeakPolarHBondContact O-CB 3.46Å; V621-C625 PolarHBondContact O-N 3.13Å; G622-C625 PolarHBondContact O-N 3.05Å; C625-A628 PolarHBondContact O-N 2.88Å; C625-G629 PolarHBondContact O-N 3.17Å
626	A	97.5	Very high	95.8	Very high	36 Å²	36	63.3 Å²	63.3	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-45.3	177.4	0	0	0	0	0	112.4	T602 G622 G629 V630	T602-A626 HydrophobicContact CG2-CB 4.13Å; G622-A626 PolarHBondContact O-N 3.32Å; A626-G629 PolarHBondContact O-N 2.81Å; A626-V630 WeakPolarHBondContact O-CG2 3.48Å; A626-V630 PolarHBondContact O-N 2.75Å
627	I	96.9	Very high	95.7	Very high	105 Å²	105	59 Å²	59	54%	0.538	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-47.6	177.4	-65.1	166.6	0	0	0	110.5	S623 L624 G629 V630 L631	S623-I627 WeakPolarHBondContact O-CG1 2.9Å; S623-I627 PolarHBondContact O-N 3.26Å; L624-I627 PolarHBondContact O-N 2.87Å; I627-G629 VanDerWaalsContact C-N 3.33Å; I627-G629 PolarHBondContact O-N 3.11Å; I627-V630 PolarHBondContact O-N 3.03Å; I627-L631 HydrophobicContact CG2-CD1 3.96Å; I627-L631 WeakPolarHBondContact O-CG 3.48Å; I627-L631 PolarHBondContact O-N 3.42Å; I627-L631 VanDerWaalsContact O-N 3.1Å
628	A	96.4	Very high	95.7	Very high	22 Å²	22	54 Å²	54	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-37.1	179.4	0	0	0	0	0	112.5	F573 L624 C625 L631 T632	F573-A628 HydrophobicContact CE2-CB 3.47Å; F573-A628 VanDerWaalsContact CE2-CB 3.47Å; F573-A628 HydrophobicContact CZ-CB 3.58Å; L624-A628 VanDerWaalsContact O-CB 3.31Å; L624-A628 WeakPolarHBondContact O-CB 3.45Å; L624-A628 PolarHBondContact O-N 3.4Å; C625-A628 PolarHBondContact O-N 2.88Å; A628-L631 PolarHBondContact O-N 2.64Å; A628-T632 VanDerWaalsContact O-CB 3.26Å; A628-T632 WeakPolarHBondContact O-CB 3.48Å; A628-T632 PolarHBondContact O-N 3.47Å; A628-T632 PolarHBondContact O-OG1 2.95Å
629	G	96.2	Very high	95.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-50.5	175.4	0	0	0	0	0	113.1	M603 C625 A626 I627 L631 T632 I633	M603-G629 CarbonylContact O-C 3.56Å; M603-G629 WeakPolarHBondContact O-CA 3.17Å; C625-G629 PolarHBondContact O-N 3.17Å; A626-G629 PolarHBondContact O-N 2.81Å; I627-G629 VanDerWaalsContact C-N 3.33Å; I627-G629 PolarHBondContact O-N 3.11Å; G629-L631 VanDerWaalsContact C-N 3.35Å; G629-L631 PolarHBondContact O-N 3.1Å; G629-T632 PolarHBondContact O-N 2.91Å; G629-I633 WeakPolarHBondContact O-CG1 3.24Å; G629-I633 PolarHBondContact O-N 2.79Å
630	V	96.2	Very high	95.4	Very high	78 Å²	78	53.8 Å²	53.8	47%	0.473	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-46	176.8	174.1	0	0	0	0	111	T605 A626 I627 T632 I633 A634	T605-V630 HydrophobicContact CG2-CG2 3.6Å; A626-V630 WeakPolarHBondContact O-CG2 3.48Å; A626-V630 PolarHBondContact O-N 2.75Å; I627-V630 PolarHBondContact O-N 3.03Å; V630-T632 PolarHBondContact O-N 3.01Å; V630-I633 PolarHBondContact O-N 3.17Å; V630-A634 WeakPolarHBondContact O-CB 3.44Å; V630-A634 PolarHBondContact O-N 3.27Å
631	L	95.3	Very high	95.2	Very high	110 Å²	110	53 Å²	53	58%	0.576	32%	0.319	S	S	*	.	H	α-helix	trans	-63	-41.2	177.1	-68.6	172.8	0	0	0	112.4	I627 A628 G629 A634 L635	I627-L631 HydrophobicContact CG2-CD1 3.96Å; I627-L631 WeakPolarHBondContact O-CG 3.48Å; I627-L631 PolarHBondContact O-N 3.42Å; I627-L631 VanDerWaalsContact O-N 3.1Å; A628-L631 PolarHBondContact O-N 2.64Å; G629-L631 VanDerWaalsContact C-N 3.35Å; G629-L631 PolarHBondContact O-N 3.1Å; L631-A634 PolarHBondContact O-N 3.28Å; L631-L635 WeakPolarHBondContact O-CG 3.3Å; L631-L635 PolarHBondContact O-N 2.84Å
632	T	94.1	Very high	95	Very high	15 Å²	15	55.5 Å²	55.5	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-42.8	180	-62	0	0	0	0	111.8	F565 M603 A628 G629 V630 P636	F565-T632 HydrophobicContact CB-CG2 3.64Å; M603-T632 HydrophobicContact CE-CG2 4.39Å; A628-T632 VanDerWaalsContact O-CB 3.26Å; A628-T632 WeakPolarHBondContact O-CB 3.48Å; A628-T632 PolarHBondContact O-N 3.47Å; A628-T632 PolarHBondContact O-OG1 2.95Å; G629-T632 PolarHBondContact O-N 2.91Å; V630-T632 PolarHBondContact O-N 3.01Å; T632-P636 VanDerWaalsContact O-CD 3.22Å; T632-P636 WeakPolarHBondContact O-CD 3.37Å
633	I	93.9	Very high	94.8	Very high	53 Å²	53	56.9 Å²	56.9	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-73.8	-34.8	179	-64.5	170	0	0	0	110.9	L562 T604 G629 V630 L635 P636 V637	L562-I633 HydrophobicContact CD1-CG1 4.4Å; T604-I633 HydrophobicContact CG2-CD1 4.2Å; G629-I633 WeakPolarHBondContact O-CG1 3.24Å; G629-I633 PolarHBondContact O-N 2.79Å; V630-I633 PolarHBondContact O-N 3.17Å; I633-L635 VanDerWaalsContact C-N 3.29Å; I633-L635 PolarHBondContact O-N 3.23Å; I633-P636 WeakPolarHBondContact O-CD 3.49Å; I633-V637 HydrophobicContact CG2-CG2 4Å; I633-V637 VanDerWaalsContact O-CG2 3.23Å; I633-V637 WeakPolarHBondContact O-CG2 3.33Å
634	A	94.5	Very high	94.6	Very high	56 Å²	56	56.8 Å²	56.8	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-22.1	-177.7	0	0	0	0	0	114.7	V630 L631 P638	V630-A634 WeakPolarHBondContact O-CB 3.44Å; V630-A634 PolarHBondContact O-N 3.27Å; L631-A634 PolarHBondContact O-N 3.28Å; A634-P638 WeakPolarHBondContact O-CD 3.33Å; A634-P638 WeakPolarHBondContact O-CG 3.2Å
635	L	90.3	Very high	94.4	Very high	126 Å²	126	55.9 Å²	55.9	66%	0.66	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-48.7	-177.5	-66.3	169.9	0	0	0	113.9	L631 I633	L631-L635 WeakPolarHBondContact O-CG 3.3Å; L631-L635 PolarHBondContact O-N 2.84Å; I633-L635 VanDerWaalsContact C-N 3.29Å; I633-L635 PolarHBondContact O-N 3.23Å
636	P	92	Very high	93.9	Very high	9 Å²	9	60.7 Å²	60.7	6%	0.058	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-27.8	-175.3	-15.8	35.3	0	0	0	113.6	L562 T632 I633 V639 I640	L562-P636 HydrophobicContact CB-CB 4.05Å; L562-P636 HydrophobicContact CB-CG 3.84Å; L562-P636 HydrophobicContact CD1-CG 3.93Å; L562-P636 HydrophobicContact CG-CG 4.44Å; T632-P636 VanDerWaalsContact O-CD 3.22Å; T632-P636 WeakPolarHBondContact O-CD 3.37Å; I633-P636 WeakPolarHBondContact O-CD 3.49Å; P636-V639 PolarHBondContact O-N 2.84Å; P636-V639 VanDerWaalsContact O-N 3.11Å; P636-I640 PolarHBondContact O-N 2.83Å
637	V	93.8	Very high	93.4	Very high	59 Å²	59	60.1 Å²	60.1	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-44.9	-175.2	168.7	0	0	0	0	113.3	I633 V639 I640 V641	I633-V637 HydrophobicContact CG2-CG2 4Å; I633-V637 VanDerWaalsContact O-CG2 3.23Å; I633-V637 WeakPolarHBondContact O-CG2 3.33Å; V637-V639 PolarHBondContact O-N 3.41Å; V637-I640 PolarHBondContact O-N 2.89Å; V637-I640 VanDerWaalsContact O-N 3.16Å; V637-V641 HydrophobicContact CG1-CG2 4.13Å; V637-V641 WeakPolarHBondContact O-CG2 3.39Å; V637-V641 PolarHBondContact O-N 2.72Å
638	P	95	Very high	93.1	Very high	79 Å²	79	60.5 Å²	60.5	51%	0.513	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-32.6	176.7	-26.9	36.1	0	0	0	114	A634 S642	A634-P638 WeakPolarHBondContact O-CD 3.33Å; A634-P638 WeakPolarHBondContact O-CG 3.2Å; P638-S642 WeakPolarHBondContact O-CB 3.16Å; P638-S642 PolarHBondContact O-N 2.78Å
639	V	92.9	Very high	92.6	Very high	65 Å²	65	64.8 Å²	64.8	39%	0.394	35%	0.35	S	S	.	.	H	α-helix	trans	-72.8	-42	177.9	-167.9	0	0	0	0	110.7	E558 P636 V637 V641 S642 N643	E558-V639 HydrophobicContact CG-CB 4.1Å; E558-V639 HydrophobicContact CG-CG1 3.73Å; P636-V639 PolarHBondContact O-N 2.84Å; P636-V639 VanDerWaalsContact O-N 3.11Å; V637-V639 PolarHBondContact O-N 3.41Å; V639-V641 VanDerWaalsContact C-N 3.34Å; V639-V641 PolarHBondContact O-N 3.13Å; V639-S642 PolarHBondContact O-N 3.19Å; V639-N643 PolarHBondContact O-N 3.18Å
640	I	93.5	Very high	91.9	Very high	31 Å²	31	67.5 Å²	67.5	16%	0.159	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-43.2	174.4	-59.8	169.4	0	0	0	110.3	T551 E558 P636 V637 N643 F644	T551-I640 HydrophobicContact CG2-CG2 4.25Å; E558-I640 HydrophobicContact CB-CG1 4.39Å; P636-I640 PolarHBondContact O-N 2.83Å; V637-I640 PolarHBondContact O-N 2.89Å; V637-I640 VanDerWaalsContact O-N 3.16Å; I640-N643 PolarHBondContact O-N 3.2Å; I640-F644 PolarHBondContact O-N 3.47Å
641	V	95	Very high	91.1	Very high	71 Å²	71	66 Å²	66	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-66.3	-38.7	176.3	172.8	0	0	0	0	111.6	V637 V639 N643 F644 N645	V637-V641 HydrophobicContact CG1-CG2 4.13Å; V637-V641 WeakPolarHBondContact O-CG2 3.39Å; V637-V641 PolarHBondContact O-N 2.72Å; V639-V641 VanDerWaalsContact C-N 3.34Å; V639-V641 PolarHBondContact O-N 3.13Å; V641-N643 VanDerWaalsContact C-N 3.35Å; V641-N643 PolarHBondContact O-N 2.93Å; V641-F644 WeakPolarHBondContact O-CB 3.11Å; V641-F644 PolarHBondContact O-N 3.01Å; V641-N645 PolarHBondContact O-N 3.16Å
642	S	92.9	Very high	90.5	Very high	74 Å²	74	63.1 Å²	63.1	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.9	-168.8	0	0	0	0	112	P638 V639 Y646	P638-S642 WeakPolarHBondContact O-CB 3.16Å; P638-S642 PolarHBondContact O-N 2.78Å; V639-S642 PolarHBondContact O-N 3.19Å; S642-Y646 WeakPolarHBondContact O-CB 3.47Å; S642-Y646 PolarHBondContact O-N 2.85Å; S642-Y646 VanDerWaalsContact O-N 3.08Å
643	N	91.7	Very high	89.5	Confident	41 Å²	41	67.1 Å²	67.1	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-65.8	-39.9	173.6	-73.6	-18.4	0	0	0	111.3	T551 S555 V639 I640 V641 Y646 F647	T551-N643 HydrophobicContact CG2-CB 4.11Å; S555-N643 PolarHBondContact OG-ND2 3.4Å; V639-N643 PolarHBondContact O-N 3.18Å; I640-N643 PolarHBondContact O-N 3.2Å; V641-N643 VanDerWaalsContact C-N 3.35Å; V641-N643 PolarHBondContact O-N 2.93Å; N643-Y646 PolarHBondContact O-N 3.45Å; N643-F647 HydrophobicContact CB-CE2 4.47Å; N643-F647 WeakPolarHBondContact O-CD2 3.39Å; N643-F647 PolarHBondContact O-N 2.91Å
644	F	92.8	Very high	88.3	Confident	69 Å²	69	66.6 Å²	66.6	30%	0.303	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-51	175.5	-177.6	-98.9	0	0	0	111.6	I547 T551 I640 V641 Y646 F647 Y648	I547-F644 HydrophobicContact CG2-CD2 4.06Å; I547-F644 HydrophobicContact CG2-CE2 3.78Å; I547-F644 HydrophobicContact CG2-CZ 4.44Å; T551-F644 HydrophobicContact CG2-CB 3.89Å; T551-F644 HydrophobicContact CG2-CD2 4.49Å; T551-F644 WeakPolarHBondContact OG1-CA 3.31Å; I640-F644 PolarHBondContact O-N 3.47Å; V641-F644 WeakPolarHBondContact O-CB 3.11Å; V641-F644 PolarHBondContact O-N 3.01Å; F644-Y646 VanDerWaalsContact C-N 3.3Å; F644-Y646 PolarHBondContact O-N 2.69Å; F644-F647 PolarHBondContact O-N 3.42Å; F644-Y648 HydrophobicContact CE1-CD2 4.34Å; F644-Y648 HydrophobicContact CE1-CG 4.48Å; F644-Y648 HydrophobicContact CZ-CD2 4.25Å; F644-Y648 WeakPolarHBondContact O-CB 3.49Å; F644-Y648 PolarHBondContact O-N 3.33Å
645	N	92.9	Very high	86.8	Confident	75 Å²	75	67.8 Å²	67.8	40%	0.401	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-41.8	178.4	-72.4	-16.2	0	0	0	111.5	V641 Y648 H649	V641-N645 PolarHBondContact O-N 3.16Å; N645-Y648 PolarHBondContact O-N 3.19Å; N645-H649 WeakPolarHBondContact O-CB 3.46Å; N645-H649 PolarHBondContact O-CD2 3.38Å; N645-H649 VanDerWaalsContact O-CD2 3.24Å; N645-H649 PolarHBondContact O-N 3.46Å
646	Y	87.8	Confident	85.2	Confident	101 Å²	101	66.9 Å²	66.9	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-51	175.4	174	-101.4	0	0	0	112.4	G300 I302 S642 N643 F644 R650	G300-Y646 PolarHBondContact O-OH 2.98Å; G300-Y646 VanDerWaalsContact O-OH 3.06Å; I302-Y646 HydrophobicContact CD1-CE1 4.12Å; I302-Y646 WeakPolarHBondContact CD1-OH 3.19Å; S642-Y646 WeakPolarHBondContact O-CB 3.47Å; S642-Y646 PolarHBondContact O-N 2.85Å; S642-Y646 VanDerWaalsContact O-N 3.08Å; N643-Y646 PolarHBondContact O-N 3.45Å; F644-Y646 VanDerWaalsContact C-N 3.3Å; F644-Y646 PolarHBondContact O-N 2.69Å; Y646-R650 VanDerWaalsContact O-CB 3.3Å; Y646-R650 WeakPolarHBondContact O-CB 3.05Å; Y646-R650 PolarHBondContact O-N 2.86Å; Y646-R650 VanDerWaalsContact O-N 3.12Å
647	F	88.3	Confident	83.2	Confident	24 Å²	24	73.5 Å²	73.5	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-32.6	179.1	-69.9	-60.3	0	0	0	113.2	I547 Q550 A554 N643 F644 E651	I547-F647 HydrophobicContact CG2-CB 3.96Å; Q550-F647 HydrophobicContact CB-CG 4.47Å; A554-F647 HydrophobicContact CB-CE2 3.53Å; A554-F647 HydrophobicContact CB-CZ 3.79Å; N643-F647 HydrophobicContact CB-CE2 4.47Å; N643-F647 WeakPolarHBondContact O-CD2 3.39Å; N643-F647 PolarHBondContact O-N 2.91Å; F644-F647 PolarHBondContact O-N 3.42Å; F647-E651 PolarHBondContact O-N 2.9Å
648	Y	89.9	Confident	81	Confident	113 Å²	113	77 Å²	77	44%	0.443	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-56.6	176.3	-177.8	-92.3	0	0	0	111.3	I547 F644 N645 R650 E651 T652	I547-Y648 HydrophobicContact CD1-CD2 4.22Å; F644-Y648 HydrophobicContact CE1-CD2 4.34Å; F644-Y648 HydrophobicContact CE1-CG 4.48Å; F644-Y648 HydrophobicContact CZ-CD2 4.25Å; F644-Y648 WeakPolarHBondContact O-CB 3.49Å; F644-Y648 PolarHBondContact O-N 3.33Å; N645-Y648 PolarHBondContact O-N 3.19Å; Y648-R650 VanDerWaalsContact C-N 3.3Å; Y648-R650 PolarHBondContact O-N 3.42Å; Y648-E651 PolarHBondContact O-N 2.94Å; Y648-E651 VanDerWaalsContact O-N 3.16Å; Y648-T652 PolarHBondContact O-N 3.37Å; Y648-T652 VanDerWaalsContact O-N 3.08Å; Y648-T652 PolarHBondContact O-OG1 3.2Å
649	H	86.5	Confident	78.2	Confident	111 Å²	111	77.9 Å²	77.9	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-39.9	178.9	-80.9	-71.2	0	0	0	112.3	N645 E651 T652 E653	N645-H649 WeakPolarHBondContact O-CB 3.46Å; N645-H649 PolarHBondContact O-CD2 3.38Å; N645-H649 VanDerWaalsContact O-CD2 3.24Å; N645-H649 PolarHBondContact O-N 3.46Å; H649-E651 VanDerWaalsContact C-N 3.34Å; H649-E651 PolarHBondContact O-N 3.2Å; H649-T652 PolarHBondContact O-N 3Å; H649-E653 WeakPolarHBondContact O-CG 3.48Å; H649-E653 PolarHBondContact O-N 2.85Å
650	R	79.8	Confident	75.3	Confident	58 Å²	58	83 Å²	83	22%	0.219	41%	0.406	C	S	.	.	H	α-helix	trans	-59.2	-43.1	176.3	-171.4	-162.3	68.8	-174.4	-2.5	112.5	Y646 Y648 T654	Y646-R650 VanDerWaalsContact O-CB 3.3Å; Y646-R650 WeakPolarHBondContact O-CB 3.05Å; Y646-R650 PolarHBondContact O-N 2.86Å; Y646-R650 VanDerWaalsContact O-N 3.12Å; Y648-R650 VanDerWaalsContact C-N 3.3Å; Y648-R650 PolarHBondContact O-N 3.42Å; R650-T654 PolarHBondContact O-N 3Å; R650-T654 PolarHBondContact O-OG1 2.97Å
651	E	80.4	Confident	72.3	Confident	47 Å²	47	88.9 Å²	88.9	22%	0.22	44%	0.435	C	S	.	.	H	α-helix	trans	-68.3	-43.4	178.8	-165.4	68.8	-158.7	0	0	110.9	K543 I547 F647 Y648 H649 T654 E655	K543-E651 HydrophobicContact CD-CG 4.32Å; I547-E651 HydrophobicContact CD1-CB 3.91Å; I547-E651 HydrophobicContact CD1-CG 4.11Å; I547-E651 HydrophobicContact CG1-CB 4.2Å; I547-E651 HydrophobicContact CG1-CG 4.41Å; F647-E651 PolarHBondContact O-N 2.9Å; Y648-E651 PolarHBondContact O-N 2.94Å; Y648-E651 VanDerWaalsContact O-N 3.16Å; H649-E651 VanDerWaalsContact C-N 3.34Å; H649-E651 PolarHBondContact O-N 3.2Å; E651-T654 WeakPolarHBondContact O-CB 3.39Å; E651-T654 PolarHBondContact O-N 3.34Å; E651-E655 PolarHBondContact O-N 3.22Å
652	T	82.6	Confident	69.1	Low	49 Å²	49	92 Å²	92	30%	0.301	45%	0.445	S	S	.	.	H	α-helix	trans	-61.1	-48.5	176.9	-52.5	0	0	0	0	112.4	Y648 H649 T654 E655 D656	Y648-T652 PolarHBondContact O-N 3.37Å; Y648-T652 VanDerWaalsContact O-N 3.08Å; Y648-T652 PolarHBondContact O-OG1 3.2Å; H649-T652 PolarHBondContact O-N 3Å; T652-T654 PolarHBondContact O-N 3.3Å; T652-T654 VanDerWaalsContact O-N 3.14Å; T652-E655 WeakPolarHBondContact O-CB 3.21Å; T652-E655 PolarHBondContact O-N 3.47Å; T652-D656 PolarHBondContact O-N 3.39Å
653	E	73.5	Confident	66.3	Low	99 Å²	99	93.3 Å²	93.3	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-61.2	-25.1	177.3	-77.4	-172.8	-149.5	0	0	113.6	H649 K657	H649-E653 WeakPolarHBondContact O-CG 3.48Å; H649-E653 PolarHBondContact O-N 2.85Å; E653-K657 WeakPolarHBondContact O-CD 3.44Å; E653-K657 WeakPolarHBondContact O-CG 3.07Å; E653-K657 PolarHBondContact O-N 3.48Å; E653-K657 IonicContact OE2-NZ 3.43Å; E653-K657 PolarHBondContact OE2-NZ 3.43Å
654	T	69	Low	63.5	Low	42 Å²	42	98.3 Å²	98.3	26%	0.258	47%	0.472	S	S	.	.	H	α-helix	trans	-75	-31.1	178.2	-56.4	0	0	0	0	111.2	R650 E651 T652 Q658	R650-T654 PolarHBondContact O-N 3Å; R650-T654 PolarHBondContact O-OG1 2.97Å; E651-T654 WeakPolarHBondContact O-CB 3.39Å; E651-T654 PolarHBondContact O-N 3.34Å; T652-T654 PolarHBondContact O-N 3.3Å; T652-T654 VanDerWaalsContact O-N 3.14Å; T654-Q658 WeakPolarHBondContact O-CG 3.33Å; T654-Q658 PolarHBondContact O-N 2.78Å
655	E	61.9	Low	60.6	Low	81 Å²	81	98.9 Å²	98.9	38%	0.379	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-46.1	174	-62.8	-177.6	165.1	0	0	111.5	K543 E651 T652 K657 Q658 T659	K543-E655 VanDerWaalsContact CD-OE1 3.29Å; K543-E655 WeakPolarHBondContact CD-OE1 3.37Å; K543-E655 WeakPolarHBondContact CE-OE1 3.48Å; K543-E655 IonicContact NZ-OE1 3.18Å; K543-E655 PolarHBondContact NZ-OE1 3.23Å; E651-E655 PolarHBondContact O-N 3.22Å; T652-E655 WeakPolarHBondContact O-CB 3.21Å; T652-E655 PolarHBondContact O-N 3.47Å; E655-K657 VanDerWaalsContact C-N 3.31Å; E655-K657 PolarHBondContact O-N 2.77Å; E655-Q658 PolarHBondContact O-N 3.12Å; E655-Q658 VanDerWaalsContact O-N 3.15Å; E655-T659 PolarHBondContact O-OG1 2.66Å; E655-T659 VanDerWaalsContact O-OG1 3.06Å
656	D	56.7	Low	57.6	Low	106 Å²	106	100.3 Å²	100.3	57%	0.567	50%	0.499	S	S	*	.	H	α-helix	trans	-59.6	-42.3	179	-68.4	-33.2	0	0	0	111.6	T652 Q658 T659	T652-D656 PolarHBondContact O-N 3.39Å; D656-Q658 VanDerWaalsContact C-N 3.34Å; D656-Q658 PolarHBondContact O-N 3.44Å; D656-T659 PolarHBondContact O-N 3.22Å
657	K	50.8	Low	55	Low	148 Å²	148	100.8 Å²	100.8	64%	0.643	51%	0.513	S	S	*	.	H	α-helix	trans	-70.8	-24.7	178.8	-70.5	165.7	-171.7	153.5	0	113.4	E653 E655 T659	E653-K657 WeakPolarHBondContact O-CD 3.44Å; E653-K657 WeakPolarHBondContact O-CG 3.07Å; E653-K657 PolarHBondContact O-N 3.48Å; E653-K657 IonicContact OE2-NZ 3.43Å; E653-K657 PolarHBondContact OE2-NZ 3.43Å; E655-K657 VanDerWaalsContact C-N 3.31Å; E655-K657 PolarHBondContact O-N 2.77Å; K657-T659 VanDerWaalsContact C-N 3.29Å; K657-T659 PolarHBondContact O-N 3.18Å
658	Q	46.9	Very low	52.5	Low	132 Å²	132	104.2 Å²	104.2	62%	0.617	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.9	178.3	-78.9	179.6	9.6	0	0	114.3	T654 E655 D656	T654-Q658 WeakPolarHBondContact O-CG 3.33Å; T654-Q658 PolarHBondContact O-N 2.78Å; E655-Q658 PolarHBondContact O-N 3.12Å; E655-Q658 VanDerWaalsContact O-N 3.15Å; D656-Q658 VanDerWaalsContact C-N 3.34Å; D656-Q658 PolarHBondContact O-N 3.44Å
659	T	35.6	Very low	49.8	Very low	99 Å²	99	108.4 Å²	108.4	61%	0.607	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-4.8	-169.2	-52.7	0	0	0	0	114.5	E655 D656 K657	E655-T659 PolarHBondContact O-OG1 2.66Å; E655-T659 VanDerWaalsContact O-OG1 3.06Å; D656-T659 PolarHBondContact O-N 3.22Å; K657-T659 VanDerWaalsContact C-N 3.29Å; K657-T659 PolarHBondContact O-N 3.18Å
660	F	32.4	Very low	47.3	Very low	173 Å²	173	105.5 Å²	105.5	76%	0.759	55%	0.552	S	S	*	*			trans	-132.3	64.4	-171.6	-63	-78.2	0	0	0	116.6
661	I	30.7	Very low	45.1	Very low	153 Å²	153	109 Å²	109	79%	0.785	58%	0.575	S	S	*	*			trans	-134.7	85.7	149.1	-49.7	-178.9	0	0	0	110.3	V663	I661-V663 HydrophobicContact CG2-CG2 3.64Å; I661-V663 PolarHBondContact O-N 3.18Å
662	H	28.9	Very low	42.9	Very low	138 Å²	138	113.7 Å²	113.7	64%	0.639	60%	0.6	S	S	*	*			trans	-78.1	103.4	159.4	-169.8	-115.7	0	0	0	108.2	Q664	H662-Q664 PolarHBondContact CE1-OE1 2.98Å; H662-Q664 PolarHBondContact ND1-OE1 3Å; H662-Q664 PolarHBondContact O-N 2.04Å
663	V	34.3	Very low	40.8	Very low	100 Å²	100	114.1 Å²	114.1	61%	0.606	61%	0.605	S	S	*	*			trans	-73.2	75.7	177.8	-173	0	0	0	0	110.1	I661 S665	I661-V663 HydrophobicContact CG2-CG2 3.64Å; I661-V663 PolarHBondContact O-N 3.18Å; V663-S665 VanDerWaalsContact C-N 3.32Å
664	Q	31.9	Very low	38.9	Very low	146 Å²	146	115.7 Å²	115.7	68%	0.682	62%	0.616	S	S	*	*			trans	-101.7	34.5	168.1	-161	161.9	8.2	0	0	111.4	H662	H662-Q664 PolarHBondContact CE1-OE1 2.98Å; H662-Q664 PolarHBondContact ND1-OE1 3Å; H662-Q664 PolarHBondContact O-N 2.04Å
665	S	32.8	Very low	37.4	Very low	81 Å²	81	118.7 Å²	118.7	57%	0.566	64%	0.639	S	S	*	*			trans	-126.6	31	178.8	50.9	0	0	0	0	112.8	V663 T667	V663-S665 VanDerWaalsContact C-N 3.32Å; S665-T667 PolarHBondContact O-N 3.23Å
666	C	29.5	Very low	36.4	Very low	105 Å²	105	118.9 Å²	118.9	71%	0.709	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	48.7	154.6	-81.6	0	0	0	0	111.6
667	T	33.5	Very low	35.3	Very low	112 Å²	112	120.3 Å²	120.3	69%	0.687	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.1	25.7	179	43.5	0	0	0	0	112.4	S665	S665-T667 PolarHBondContact O-N 3.23Å
668	S	34.6	Very low	34.6	Very low	96 Å²	96	121.1 Å²	121.1	67%	0.671	67%	0.668	S	S	*	*	S	Bend	trans	-133.6	-24.1	163.6	-76.7	0	0	0	0	114.4
669	Y	33.8	Very low	34.1	Very low	200 Å²	200	119.6 Å²	119.6	78%	0.784	67%	0.672	S	S	*	*	S	Bend	trans	-88.6	-6.2	173	-77.4	-82.1	0	0	0	114.2	S673	Y669-S673 PolarHBondContact O-OG 2.61Å
670	A	33.8	Very low	34	Very low	51 Å²	51	123.5 Å²	123.5	42%	0.421	69%	0.688	S	S	.	*	S	Bend	trans	-79.9	-21.3	178.4	0	0	0	0	0	113.9
671	N	34.6	Very low	34.2	Very low	131 Å²	131	121 Å²	121	70%	0.701	69%	0.692	S	S	*	*	S	Bend	trans	-94.6	-6.1	-179.9	-73.4	-8.3	0	0	0	113.8
672	L	34	Very low	34.1	Very low	146 Å²	146	122.8 Å²	122.8	76%	0.764	70%	0.695	S	S	*	*	S	Bend	trans	-101.9	-0.8	177.8	-124.3	74.7	0	0	0	114.2
673	S	38	Very low	34.1	Very low	57 Å²	57	121.4 Å²	121.4	40%	0.399	70%	0.699	S	S	.	*	S	Bend	trans	-121	-2.7	178.5	57.6	0	0	0	0	114	Y669 S676 L677	Y669-S673 PolarHBondContact O-OG 2.61Å; S673-S676 PolarHBondContact O-OG 2.8Å; S673-L677 WeakPolarHBondContact O-CD1 3.47Å
674	L	34.4	Very low	34	Very low	132 Å²	132	123.5 Å²	123.5	69%	0.691	71%	0.707	S	S	*	*	S	Bend	trans	-95.1	-7.8	-177.7	-143.4	71.7	0	0	0	114.1
675	S	35.8	Very low	34	Very low	105 Å²	105	124.3 Å²	124.3	73%	0.734	72%	0.722	S	S	*	*	S	Bend	trans	-94.6	-8.6	175.2	48.6	0	0	0	0	113.9
676	S	40.8	Very low	34.1	Very low	86 Å²	86	123.9 Å²	123.9	60%	0.601	73%	0.731	S	S	*	*	S	Bend	trans	-106.8	-6.4	-179.9	53.6	0	0	0	0	114.5	S673 N678	S673-S676 PolarHBondContact O-OG 2.8Å; S676-N678 VanDerWaalsContact C-N 3.33Å; S676-N678 PolarHBondContact O-N 3.3Å
677	L	34.8	Very low	34.4	Very low	135 Å²	135	123.6 Å²	123.6	71%	0.707	73%	0.73	S	S	*	*			trans	-87.9	7.1	-179	-78.8	168.2	0	0	0	114.6	S673 S679	S673-L677 WeakPolarHBondContact O-CD1 3.47Å; L677-S679 PolarHBondContact O-N 3.12Å
678	N	35.7	Very low	34.5	Very low	166 Å²	166	126 Å²	126	89%	0.888	74%	0.735	S	S	*	*			trans	-98.6	51.3	-178.1	-146.6	12.8	0	0	0	112.7	S676	S676-N678 VanDerWaalsContact C-N 3.33Å; S676-N678 PolarHBondContact O-N 3.3Å
679	S	37.4	Very low	34.7	Very low	100 Å²	100	128 Å²	128	70%	0.699	74%	0.737	S	S	*	*	S	Bend	trans	-144.3	126	163.7	61.5	0	0	0	0	111.1	L677 S681	L677-S679 PolarHBondContact O-N 3.12Å; S679-S681 PolarHBondContact O-N 3.37Å; S679-S681 VanDerWaalsContact O-N 3.13Å
680	N	32.3	Very low	34.7	Very low	180 Å²	180	125 Å²	125	96%	0.963	73%	0.734	S	S	*	*			trans	-66.1	108.3	-174	-75.8	-44.1	0	0	0	111.9
681	S	36	Very low	34.9	Very low	120 Å²	120	130.7 Å²	130.7	84%	0.839	75%	0.752	S	S	*	*			trans	-148	139.2	158.2	-169.5	0	0	0	0	110.5	S679	S679-S681 PolarHBondContact O-N 3.37Å; S679-S681 VanDerWaalsContact O-N 3.13Å
682	K	30.2	Very low	35	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	76%	0.763	S	S	*	*			trans	-92.4	156.7	-177.1	-129.3	174.6	-177.3	177.4	0	110
683	C	28.8	Very low	35	Very low	108 Å²	108	136.5 Å²	136.5	73%	0.73	76%	0.76	S	S	*	*			trans	103.5	135.3	159.3	-57.1	0	0	0	0	119.7
684	D	31.4	Very low	34.7	Very low	144 Å²	144	142 Å²	142	77%	0.77	78%	0.779	S	S	*	*			trans	71.7	68.6	147.9	-53	-15.9	0	0	0	121.2	G686	D684-G686 PolarHBondContact O-N 3.42Å
685	T	31.6	Very low	34.5	Very low	163 Å²	163	144.7 Å²	144.7	100%	1	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	57.8	154.4	39.5	0	0	0	0	113
686	G	35	Very low	34.3	Very low	73 Å²	73	149.8 Å²	149.8	75%	0.753	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-20.5	176.4	0	0	0	0	0	115.7	D684	D684-G686 PolarHBondContact O-N 3.42Å
687	S	35.8	Very low	33.7	Very low	98 Å²	98	152.4 Å²	152.4	69%	0.685	79%	0.794	S	S	*	*	S	Bend	trans	-107	-22.1	-160.2	-156.2	0	0	0	0	116.7	I689	S687-I689 PolarHBondContact O-N 3.46Å
688	M	36	Very low	33.5	Very low	164 Å²	164	152.3 Å²	152.3	81%	0.808	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	20.7	-166.1	-66.1	-127.2	75.1	0	0	116.6
689	I	38.8	Very low	33.4	Very low	138 Å²	138	151.3 Å²	151.3	71%	0.708	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-7.9	-178.8	-66.8	178.6	0	0	0	113.4	S687	S687-I689 PolarHBondContact O-N 3.46Å
690	N	33.9	Very low	33.3	Very low	136 Å²	136	154.2 Å²	154.2	73%	0.727	80%	0.802	S	S	*	*	S	Bend	trans	-96.9	-16.2	-173.9	-89	5	0	0	0	116.6	K692	N690-K692 PolarHBondContact O-N 3.04Å
691	E	37.5	Very low	33.3	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	4.6	-169	-74	-172.9	128.6	0	0	116.9
692	K	36.6	Very low	33.1	Very low	212 Å²	212	150.3 Å²	150.3	92%	0.922	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	26.2	177	-79.5	-164.6	173	-173.1	0	114.9	N690	N690-K692 PolarHBondContact O-N 3.04Å
693	R	34.5	Very low	33.3	Very low	188 Å²	188	149 Å²	149	71%	0.709	79%	0.794	S	S	*	*	S	Bend	trans	-132.3	21.8	-174.5	-144.2	-172.5	-77.5	-179.3	-2.4	116.6
694	Q	32.1	Very low	33.5	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	80%	0.795	S	S	*	*			trans	-125.8	-0.8	-179.8	-73.8	-172.4	-14.2	0	0	115.7	Y696	Q694-Y696 VanDerWaalsContact C-N 3.34Å; Q694-Y696 PolarHBondContact O-N 3.4Å
695	Q	30.2	Very low	33.8	Very low	189 Å²	189	153.3 Å²	153.3	88%	0.883	80%	0.801	S	S	*	*			trans	-87.1	66.9	-174.1	-162.4	169.2	10.4	0	0	112.6
696	Y	30.1	Very low	33.9	Very low	211 Å²	211	152 Å²	152	83%	0.827	79%	0.788	S	S	*	*			trans	-170.9	79.7	153.1	-102	-65.3	0	0	0	110.9	Q694	Q694-Y696 VanDerWaalsContact C-N 3.34Å; Q694-Y696 PolarHBondContact O-N 3.4Å
697	K	29.7	Very low	33.9	Very low	142 Å²	142	156.3 Å²	156.3	62%	0.617	79%	0.788	S	S	*	*			trans	-152.5	118.8	155.6	-142.7	167.8	-167.3	169	0	107.2	E480 I699	E480-K697 IonicContact OE1-NZ 3.21Å; E480-K697 PolarHBondContact OE1-NZ 3.39Å; K697-I699 PolarHBondContact O-N 3.37Å
698	P	30.2	Very low	33.7	Very low	133 Å²	133	158.9 Å²	158.9	86%	0.864	79%	0.794	S	S	*	*			trans	-70.9	124.4	177.2	28.9	-32	0	0	0	108.5
699	I	33.9	Very low	33.6	Very low	144 Å²	144	157.9 Å²	157.9	74%	0.738	79%	0.79	S	S	*	*			trans	-129.7	124.4	171.6	-64.6	-178.8	0	0	0	107.1	K697	K697-I699 PolarHBondContact O-N 3.37Å
700	D	34.7	Very low	33.3	Very low	162 Å²	162	157.6 Å²	157.6	87%	0.866	79%	0.79	S	S	*	*			trans	-59.1	146.9	178.3	-68.5	-60.5	0	0	0	112.3
701	T	31.2	Very low	33.2	Very low	151 Å²	151	155.8 Å²	155.8	93%	0.926	78%	0.784	S	S	*	*			trans	-71.6	130	-169.8	45.2	0	0	0	0	113.1
702	G	32.7	Very low	32.9	Very low	67 Å²	67	157.7 Å²	157.7	69%	0.691	79%	0.79	S	S	*	*			trans	-157.2	98.7	176.8	0	0	0	0	0	114.8
703	I	35.1	Very low	32.8	Very low	164 Å²	164	154.8 Å²	154.8	84%	0.841	78%	0.779	S	S	*	*			trans	75	101.4	150.5	-50.2	174.7	0	0	0	118.4
704	K	33.2	Very low	32.6	Very low	176 Å²	176	153.3 Å²	153.3	77%	0.765	78%	0.78	S	S	*	*			trans	11.7	136.9	136.1	-54.9	-179.1	178.8	-174.6	0	120.1
705	N	36.2	Very low	32.6	Very low	166 Å²	166	152.8 Å²	152.8	89%	0.888	78%	0.783	S	S	*	*				-159.4	153.6	115.8	-97.5	-21.1	0	0	0	112.1
706	D	34.3	Very low	32.5	Very low	135 Å²	135	155.9 Å²	155.9	72%	0.722	79%	0.787	S	S	*	*			trans	-103.9	170.9	-164.4	-77.8	-57	0	0	0	115.2
707	Q	34.7	Very low	32.3	Very low	165 Å²	165	150.3 Å²	150.3	77%	0.771	78%	0.784	S	S	*	*			trans	75.5	110.7	148.6	-80.2	167.4	60.2	0	0	122.2
708	L	32.1	Very low	32.4	Very low	152 Å²	152	153.3 Å²	153.3	80%	0.796	80%	0.797	S	S	*	*				-164.6	107.9	118.7	-127.2	61.4	0	0	0	107.8
709	I	33.2	Very low	32.4	Very low	142 Å²	142	152.1 Å²	152.1	73%	0.728	79%	0.792	S	S	*	*				60	132.6	91.5	-60.9	171.3	0	0	0	113.2
710	D	33.3	Very low	32.2	Very low	132 Å²	132	153.1 Å²	153.1	71%	0.706	80%	0.798	S	S	*	*			cis	-168.6	160.3	-18.3	-173.8	24.6	0	0	0	110
711	T	30.8	Very low	31.9	Very low	99 Å²	99	150 Å²	150	61%	0.607	79%	0.794	S	S	*	*			trans	23	129	161.6	44.4	0	0	0	0	123.3
712	K	32.5	Very low	32	Very low	209 Å²	209	147.5 Å²	147.5	91%	0.909	78%	0.783	S	S	*	*				-159.3	133.2	118.2	-114.3	167	-173	171.7	0	117
713	H	33.5	Very low	31.8	Very low	151 Å²	151	155.8 Å²	155.8	70%	0.699	79%	0.794	S	S	*	*			trans	-42.1	128.2	-178.4	-71.7	-90	0	0	0	120.2
714	Q	29.9	Very low	31.7	Very low	158 Å²	158	153.1 Å²	153.1	74%	0.738	79%	0.787	S	S	*	*				37.2	104.9	100.4	-168.8	-179.7	29.1	0	0	117.9
715	N	32.3	Very low	31.5	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	79%	0.791	S	S	*	*			trans	-177.4	99.8	147.6	-100.6	-34.4	0	0	0	114.2
716	R	28.7	Very low	31.3	Very low	254 Å²	254	152.3 Å²	152.3	96%	0.958	79%	0.79	S	S	*	*			trans	163.6	123.8	131.4	-98.6	-179.9	159.9	153.1	-4.9	112.7
717	A	27.2	Very low	31.1	Very low	94 Å²	94	154.2 Å²	154.2	78%	0.777	79%	0.794	S	S	*	*			trans	-136.2	158.8	156	0	0	0	0	0	108.6
718	K	30.1	Very low	30.9	Very low	205 Å²	205	154.6 Å²	154.6	89%	0.891	80%	0.796	S	S	*	*			trans	100.2	148.9	176.7	-60.2	-177.8	176.1	-178.2	0	117.1
719	S	31.1	Very low	30.7	Very low	108 Å²	108	155.1 Å²	155.1	76%	0.755	79%	0.794	S	S	*	*			trans	73.6	125.7	-177.4	120.1	0	0	0	0	113.1
720	L	30.5	Very low	30.7	Very low	165 Å²	165	156.1 Å²	156.1	86%	0.864	80%	0.801	S	S	*	*			cis	-142.9	156.4	8.7	-85.3	143.9	0	0	0	111
721	A	28.2	Very low	30.6	Very low	95 Å²	95	156.8 Å²	156.8	79%	0.785	80%	0.804	S	S	*	*			trans	-123.2	127.4	165.7	0	0	0	0	0	109
722	S	31.6	Very low	30.5	Very low	99 Å²	99	162 Å²	162	69%	0.692	81%	0.814	S	S	*	*			trans	175.4	132	149.5	47.8	0	0	0	0	114.2
723	W	29.8	Very low	30.5	Very low	241 Å²	241	160.7 Å²	160.7	91%	0.913	82%	0.816	S	S	*	*			trans	80.5	156.4	143	-72.2	28.3	0	0	0	119.4
724	P	32.9	Very low	30.3	Very low	108 Å²	108	157.9 Å²	157.9	70%	0.701	82%	0.819	S	S	*	*				-137.3	-171.9	-67.8	34.7	-13.1	0	0	0	113.5
725	N	28	Very low	30.3	Very low	159 Å²	159	160.3 Å²	160.3	85%	0.85	83%	0.827	S	S	*	*			trans	-38	130.1	175.8	-74.7	-39.5	0	0	0	116.2
726	I	32.7	Very low	30.2	Very low	167 Å²	167	163.9 Å²	163.9	86%	0.856	83%	0.829	S	S	*	*			trans	-129.6	121.9	148.7	-67.7	-177.4	0	0	0	107.7
727	H	30.3	Very low	30.4	Very low	175 Å²	175	159.6 Å²	159.6	81%	0.81	83%	0.825	S	S	*	*			trans	-76	164.2	169.4	-108	-94.4	0	0	0	110.3
728	Q	29.2	Very low	30.6	Very low	173 Å²	173	164 Å²	164	81%	0.808	83%	0.829	S	S	*	*			trans	92.7	139.4	156.3	-155	160.6	-13.8	0	0	116
729	E	28.8	Very low	30.5	Very low	162 Å²	162	162.2 Å²	162.2	76%	0.757	83%	0.829	S	S	*	*			trans	67.2	88.8	178.1	-69.5	171.6	-179.8	0	0	117.4
730	D	33.4	Very low	30.4	Very low	164 Å²	164	169.2 Å²	169.2	88%	0.877	84%	0.839	S	S	*	*				-165.6	82.8	123.4	-102.9	-23	0	0	0	110.2
731	N	30.2	Very low	30.2	Very low	145 Å²	145	166.6 Å²	166.6	78%	0.775	84%	0.835	S	S	*	*			trans	-129.2	55.8	-177.8	-152.2	-3.5	0	0	0	111
732	Y	29.7	Very low	30.1	Very low	210 Å²	210	167.7 Å²	167.7	82%	0.824	84%	0.837	S	S	*	*			trans	-136.4	60.7	-175.7	-72.9	-74.7	0	0	0	112.8
733	L	31.7	Very low	30	Very low	181 Å²	181	172 Å²	172	95%	0.948	84%	0.843	S	S	*	*	S	Bend	trans	-165.3	31.2	156.9	-107.9	161.8	0	0	0	114.4
734	A	31.1	Very low	30.1	Very low	92 Å²	92	167.8 Å²	167.8	76%	0.76	83%	0.831	S	S	*	*			trans	-139	56.9	177.8	0	0	0	0	0	112.1
735	K	29.8	Very low	30	Very low	208 Å²	208	170 Å²	170	90%	0.904	83%	0.833	S	S	*	*			trans	-152.8	63.9	176.1	-143.2	166.6	-169.6	171.3	0	114.7
736	R	29.2	Very low	30	Very low	237 Å²	237	169.6 Å²	169.6	89%	0.894	83%	0.83	S	S	*	*	S	Bend	trans	-142.8	140.2	156.5	-87	-170.7	178	101.2	1.5	108.5
737	N	32.6	Very low	30.1	Very low	163 Å²	163	168.7 Å²	168.7	87%	0.872	83%	0.827	S	S	*	*	S	Bend	trans	91.8	13.2	175.8	-55.2	-4.5	0	0	0	119
738	E	31.2	Very low	30.1	Very low	187 Å²	187	167.6 Å²	167.6	87%	0.874	82%	0.822	S	S	*	*			trans	-101.4	87.2	150.2	-73.5	-171.9	153.4	0	0	109.3
739	N	28.3	Very low	30.2	Very low	167 Å²	167	167.7 Å²	167.7	89%	0.893	82%	0.816	S	S	*	*			trans	-176.8	61.6	164.8	-99.8	-21.9	0	0	0	111
740	R	30.1	Very low	30.3	Very low	256 Å²	256	166.5 Å²	166.5	97%	0.966	82%	0.815	S	S	*	*			trans	-155.4	50.9	163.9	-139.2	178.1	-169.8	-163.5	1.7	114.3
741	S	26.3	Very low	30.4	Very low	110 Å²	110	165.2 Å²	165.2	77%	0.769	81%	0.808	S	S	*	*			trans	-127.9	148.4	162.6	51.4	0	0	0	0	109.3
742	S	26.2	Very low	30.4	Very low	118 Å²	118	164.9 Å²	164.9	83%	0.825	81%	0.806	S	S	*	*			trans	69.7	88.3	177.5	-54.1	0	0	0	0	117.4
743	F	28.6	Very low	30.4	Very low	190 Å²	190	161.9 Å²	161.9	83%	0.833	80%	0.803	S	S	*	*			trans	-157.7	132.6	133.4	-136.5	-114.5	0	0	0	111.8
744	K	32.2	Very low	30.3	Very low	151 Å²	151	160 Å²	160	66%	0.657	79%	0.794	S	S	*	*			trans	69.2	139.6	169.8	-65.4	172.5	162.5	-84.9	0	117.8
745	E	31.5	Very low	30.1	Very low	156 Å²	156	160 Å²	160	73%	0.729	79%	0.787	S	S	*	*			cis	-157.5	155.4	-17	-129.5	157.1	162.8	0	0	108.1
746	N	27	Very low	30.1	Very low	150 Å²	150	159.7 Å²	159.7	80%	0.802	79%	0.786	S	S	*	*			trans	-75	153.6	177.2	-58.7	-37.2	0	0	0	111.1
747	N	34.4	Very low	30	Very low	147 Å²	147	151.7 Å²	151.7	79%	0.786	77%	0.767	S	S	*	*				178.2	107	128.2	-86.7	-7.5	0	0	0	112.5
748	E	31.4	Very low	29.7	Very low	152 Å²	152	149.6 Å²	149.6	71%	0.71	76%	0.76	S	S	*	*				50.9	137.8	124.9	-86	-178.7	157	0	0	125.9
749	Y	31.4	Very low	29.6	Very low	176 Å²	176	146 Å²	146	69%	0.69	75%	0.746	S	S	*	*			trans	75.4	101.5	144.4	-74.7	-60.2	0	0	0	123.4
750	D	30.1	Very low	29.6	Very low	136 Å²	136	145.9 Å²	145.9	73%	0.727	74%	0.739	S	S	*	*				63.8	158.9	117.6	-72.5	1.3	0	0	0	125.2
751	D	35.4	Very low	29.9	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	73%	0.73	S	S	*	*			trans	80.5	89.9	163.7	-68.8	-22.2	0	0	0	122.2
752	L	30.1	Very low	30.2	Very low	138 Å²	138	139.7 Å²	139.7	72%	0.723	73%	0.73	S	S	*	*				49.3	126.8	110.7	-75.5	167.2	0	0	0	121.9
753	L	29.8	Very low	30.4	Very low	147 Å²	147	140 Å²	140	77%	0.77	73%	0.729	S	S	*	*			trans	67.9	130.1	149.7	-55.9	163.7	0	0	0	116
754	L	30.2	Very low	30.4	Very low	143 Å²	143	136 Å²	136	75%	0.749	72%	0.724	S	S	*	*			cis	-173.5	149.2	39.1	-160.7	78.6	0	0	0	110.8
755	S	27.6	Very low	30.3	Very low	90 Å²	90	135.1 Å²	135.1	63%	0.629	73%	0.732	S	S	*	*			trans	28.3	124.6	153.7	65.2	0	0	0	0	123.8
756	K	29.1	Very low	30.1	Very low	203 Å²	203	134.3 Å²	134.3	88%	0.883	73%	0.732	S	S	*	*			trans	43.3	113.4	135.9	-66.2	-178.9	174.9	-179.7	0	119.2
757	S	26.4	Very low	30.4	Very low	69 Å²	69	134.8 Å²	134.8	48%	0.483	73%	0.733	S	S	.	*				-174.9	162.7	103.4	55.6	0	0	0	0	113.7	E811	S757-E811 WeakPolarHBondContact CB-OE2 3.3Å; S757-E811 PolarHBondContact OG-OE2 3.06Å; S757-E811 VanDerWaalsContact OG-OE2 3.13Å
758	T	26.6	Very low	30	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	73%	0.734	S	S	*	*			trans	-32.7	114.1	173	-45.9	0	0	0	0	117.2
759	I	28.3	Very low	29.9	Very low	111 Å²	111	133 Å²	133	57%	0.569	74%	0.736	S	S	*	*			trans	-142.6	146.1	154.5	-78.6	103.1	0	0	0	111.2	I809	I759-I809 HydrophobicContact CD1-CD1 3.85Å; I759-I809 HydrophobicContact CD1-CG1 4.09Å; I759-I809 HydrophobicContact CD1-CG2 4.28Å; I759-I809 HydrophobicContact CG1-CD1 4.1Å; I759-I809 HydrophobicContact CG1-CG1 4.15Å
760	H	28.9	Very low	29.9	Very low	164 Å²	164	131.3 Å²	131.3	76%	0.759	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63.4	154.1	-176.2	-65.4	-118.8	0	0	0	115.4
761	P	36.5	Very low	29.7	Very low	118 Å²	118	134.2 Å²	134.2	77%	0.766	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-72.3	143.2	156.5	32.1	-32.4	0	0	0	111
762	P	32.7	Very low	29.4	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-80.5	163.8	-173.7	33.4	-36.6	0	0	0	113.7
763	P	29.8	Very low	29.2	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-77.1	151.8	-173.9	31.4	-36	0	0	0	114.3
764	S	28.3	Very low	29	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-63.6	141.5	174.8	48.8	0	0	0	0	113.9
765	V	31.2	Very low	29	Very low	134 Å²	134	131 Å²	131	81%	0.812	76%	0.755	S	S	*	*			trans	-111.9	114.6	164.3	177.1	0	0	0	0	109
766	N	27.9	Very low	28.8	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	76%	0.763	S	S	*	*			trans	-70.8	136.8	175.9	-67	-11.5	0	0	0	111
767	I	31.6	Very low	28.9	Very low	159 Å²	159	132.3 Å²	132.3	82%	0.815	76%	0.762	S	S	*	*			trans	-125.1	110.6	154.9	-63.2	-175.5	0	0	0	109.2
768	L	26.1	Very low	29.1	Very low	155 Å²	155	136.2 Å²	136.2	81%	0.812	78%	0.777	S	S	*	*			trans	-63.8	130.5	174.4	-177	82.5	0	0	0	111.9
769	S	30.2	Very low	29.1	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	77%	0.773	S	S	*	*			trans	-159.2	96.7	155.3	60.2	0	0	0	0	114.2
770	N	30.5	Very low	29.2	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	79%	0.785	S	S	*	*			trans	18.8	121.3	147	-57.9	-7.7	0	0	0	120.3
771	E	25.8	Very low	29.2	Very low	198 Å²	198	138.8 Å²	138.8	93%	0.925	78%	0.782	S	S	*	*			trans	-68.8	126.8	153.2	-60.5	-179.8	119.8	0	0	111.2
772	T	29.9	Very low	29	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.724	78%	0.782	S	S	*	*			trans	-145	110.2	153.5	-41.5	0	0	0	0	111.9
773	T	25.9	Very low	28.9	Very low	122 Å²	122	141.7 Å²	141.7	75%	0.748	78%	0.78	S	S	*	*			trans	13.5	121.8	144.3	-40.8	0	0	0	0	119.3
774	C	25.9	Very low	28.9	Very low	129 Å²	129	142 Å²	142	87%	0.872	78%	0.775	S	S	*	*			trans	-128.1	114.8	160.1	-90.6	0	0	0	0	112.3
775	T	29.1	Very low	29	Very low	127 Å²	127	142.1 Å²	142.1	78%	0.779	77%	0.771	S	S	*	*			trans	-85.3	145.3	172.3	33.4	0	0	0	0	112.1
776	F	25	Very low	28.9	Very low	181 Å²	181	144.6 Å²	144.6	79%	0.794	77%	0.771	S	S	*	*			trans	-70.5	127.2	170.4	-84.3	-106.9	0	0	0	112
777	V	30.5	Very low	29	Very low	141 Å²	141	144.8 Å²	144.8	86%	0.855	77%	0.768	S	S	*	*			trans	-142.2	148.5	153.2	-176	0	0	0	0	110.4
778	N	30.1	Very low	29	Very low	151 Å²	151	144 Å²	144	81%	0.807	76%	0.764	S	S	*	*			trans	-75	150.8	-167.7	-81.9	-45.9	0	0	0	117.1
779	S	27.6	Very low	29.1	Very low	91 Å²	91	146 Å²	146	64%	0.636	76%	0.761	S	S	*	*			trans	-3.5	131.7	151	61.6	0	0	0	0	120.9
780	R	29.6	Very low	29.2	Very low	220 Å²	220	149.7 Å²	149.7	83%	0.83	76%	0.763	S	S	*	*				169.6	119.7	109.8	-90.7	176.3	-145.5	-134.6	1.4	110.1
781	I	30	Very low	29.1	Very low	136 Å²	136	148.8 Å²	148.8	70%	0.697	76%	0.763	S	S	*	*				75	118.9	99	-66.9	178	0	0	0	113.5
782	N	32.1	Very low	29.5	Very low	141 Å²	141	148.4 Å²	148.4	75%	0.754	76%	0.758	S	S	*	*			trans	64.3	153.2	164	-66.2	15.4	0	0	0	118.2
783	E	30.3	Very low	29.4	Very low	157 Å²	157	147.3 Å²	147.3	73%	0.734	76%	0.756	S	S	*	*			cis	-163.8	157.7	-31.9	-162.6	166.5	-146.7	0	0	106.2
784	D	29.6	Very low	29.6	Very low	130 Å²	130	147.1 Å²	147.1	70%	0.695	75%	0.754	S	S	*	*			trans	62.6	123.6	156.6	-84.8	-7.7	0	0	0	125
785	T	30.1	Very low	30.1	Very low	108 Å²	108	147.3 Å²	147.3	66%	0.663	75%	0.747	S	S	*	*			trans	87.6	113.7	133.3	56.7	0	0	0	0	124.1
786	K	29.9	Very low	30.1	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	75%	0.745	S	S	*	*				79.9	120.8	125.2	-72.6	177.6	177.8	174.7	0	122.4
787	E	28.9	Very low	30.6	Very low	144 Å²	144	145.4 Å²	145.4	67%	0.673	75%	0.75	S	S	*	*			trans	43.5	119.2	131	-70.2	-144.4	122.3	0	0	121.8
788	L	31.5	Very low	30.8	Very low	142 Å²	142	142.2 Å²	142.2	74%	0.743	75%	0.746	S	S	*	*				-177	118.1	100.6	-122	52.8	0	0	0	107.9
789	R	28.4	Very low	31	Very low	197 Å²	197	141.5 Å²	141.5	74%	0.743	75%	0.75	S	S	*	*				76.5	133.1	66.2	-153	-176.7	-159.3	169.4	6.7	113.9
790	K	33.3	Very low	31.5	Very low	185 Å²	185	145.4 Å²	145.4	80%	0.804	76%	0.762	S	S	*	*			trans	100.3	140.8	165.8	-66.8	-178	176.4	176.4	0	118.3
791	T	28.7	Very low	31.7	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	75%	0.754	S	S	*	*			cis	-178.1	164.5	-29.7	25.6	0	0	0	0	110.8
792	K	32.3	Very low	31.9	Very low	189 Å²	189	139.6 Å²	139.6	82%	0.822	76%	0.762	S	S	*	*			trans	83.3	125.2	169.8	-62.6	-175.3	171.5	-175.7	0	115.2
793	S	28.4	Very low	32	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	76%	0.764	S	S	*	*			cis	75.6	136.8	45.5	100	0	0	0	0	112.5
794	T	31.2	Very low	31.9	Very low	117 Å²	117	140.5 Å²	140.5	72%	0.718	77%	0.765	S	S	*	*			cis	-168.2	163.4	10.7	-3.5	0	0	0	0	111.8
795	N	35	Very low	32.2	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	77%	0.772	S	S	*	*			trans	92.5	115.8	153.9	-63.5	9.5	0	0	0	123
796	D	30.5	Very low	32.2	Very low	140 Å²	140	142.6 Å²	142.6	75%	0.749	77%	0.771	S	S	*	*				62.3	105.1	129	-55.7	-30.1	0	0	0	123.9
797	S	35.4	Very low	32.2	Very low	128 Å²	128	139 Å²	139	90%	0.895	77%	0.769	S	S	*	*				-174.1	134.2	100.6	31.5	0	0	0	0	110.6
798	G	33.9	Very low	32.3	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	77%	0.774	S	S	*	*			trans	-107.2	166.5	-164.3	0	0	0	0	0	116.8
799	P	34.6	Very low	32.2	Very low	135 Å²	135	136.4 Å²	136.4	88%	0.877	77%	0.768	S	S	*	*			trans	-93.9	161.2	178.2	37.1	-34.3	0	0	0	114.4
800	L	38	Very low	32.3	Very low	173 Å²	173	136.1 Å²	136.1	91%	0.906	78%	0.775	S	S	*	*			trans	-85	152.9	-178.8	-82.8	145.2	0	0	0	114
801	P	33.6	Very low	32	Very low	102 Å²	102	133.8 Å²	133.8	66%	0.662	77%	0.767	S	S	*	*			trans	-105.2	162.9	-179.8	40.1	-34.1	0	0	0	114.3
802	P	34.5	Very low	32.1	Very low	133 Å²	133	137.1 Å²	137.1	86%	0.864	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-94.2	151.3	160.6	35	-29.4	0	0	0	112.6
803	I	34.9	Very low	31.8	Very low	153 Å²	153	137 Å²	137	79%	0.785	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-101.8	140	-166.5	-70.4	164.6	0	0	0	112.3	I805	I803-I805 HydrophobicContact CG2-CG1 4.36Å
804	Q	27.5	Very low	31.9	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-85.3	145.2	162.6	-79	-169.6	-32.6	0	0	111.7
805	I	35.9	Very low	31.8	Very low	164 Å²	164	137.1 Å²	137.1	84%	0.841	79%	0.785	S	S	*	*			trans	-138.2	136.7	148.1	-59.1	-175.1	0	0	0	109.1	I803	I803-I805 HydrophobicContact CG2-CG1 4.36Å
806	N	29.8	Very low	31.8	Very low	118 Å²	118	136 Å²	136	63%	0.631	79%	0.785	S	S	*	*			trans	-94.2	164	-174.9	-74	-34.2	0	0	0	113.7
807	S	29.7	Very low	31.7	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	79%	0.787	S	S	*	*			trans	56.7	141.2	141.5	61.9	0	0	0	0	119.3
808	S	32.2	Very low	31.5	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	79%	0.785	S	S	*	*				-161	168.6	50.5	-64.5	0	0	0	0	113.5
809	I	28.8	Very low	31.3	Very low	119 Å²	119	139 Å²	139	61%	0.61	78%	0.78	S	S	*	*			trans	-88	144.5	-176	-64.6	154.9	0	0	0	111.7	I759	I759-I809 HydrophobicContact CD1-CD1 3.85Å; I759-I809 HydrophobicContact CD1-CG1 4.09Å; I759-I809 HydrophobicContact CD1-CG2 4.28Å; I759-I809 HydrophobicContact CG1-CD1 4.1Å; I759-I809 HydrophobicContact CG1-CG1 4.15Å
810	Q	30.5	Very low	31	Very low	192 Å²	192	142 Å²	142	90%	0.897	78%	0.779	S	S	*	*				-178.2	132.5	128.2	-102.4	174.3	-17.1	0	0	113.5
811	E	26.8	Very low	30.6	Very low	135 Å²	135	142.5 Å²	142.5	63%	0.631	77%	0.774	S	S	*	*			trans	-87.3	139.4	160.6	-66.6	179.3	138.9	0	0	109.2	S757	S757-E811 WeakPolarHBondContact CB-OE2 3.3Å; S757-E811 PolarHBondContact OG-OE2 3.06Å; S757-E811 VanDerWaalsContact OG-OE2 3.13Å
812	E	29.7	Very low	30.3	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	78%	0.777	S	S	*	*			trans	-157	165.1	135	-127.2	-163.9	148.9	0	0	114.2
813	K	26.9	Very low	30.2	Very low	185 Å²	185	144.9 Å²	144.9	80%	0.804	78%	0.778	S	S	*	*			trans	-87.5	141.3	-173.3	-57.7	156.3	-178.9	160.8	0	111.4
814	S	30.1	Very low	29.8	Very low	123 Å²	123	142.4 Å²	142.4	86%	0.86	78%	0.775	S	S	*	*				175.9	142	125.9	38.7	0	0	0	0	112.5
815	A	29.6	Very low	29.9	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	78%	0.775	S	S	*	*			trans	-90.8	163.3	163	0	0	0	0	0	108
816	P	33.8	Very low	29.7	Very low	109 Å²	109	139 Å²	139	71%	0.708	78%	0.776	S	S	*	*			cis	-149.5	166.4	44.6	40.6	-19.3	0	0	0	119.6
817	N	28.7	Very low	29.8	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	78%	0.784	S	S	*	*			trans	36.7	122.3	144	-62.8	-32	0	0	0	122.2
818	L	31.7	Very low	29.8	Very low	163 Å²	163	145.1 Å²	145.1	85%	0.853	79%	0.791	S	S	*	*				-158.2	137.1	114.2	-141.7	68.1	0	0	0	115.4
819	S	29.9	Very low	29.5	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	79%	0.789	S	S	*	*			trans	28.2	109.9	156.4	56.9	0	0	0	0	120.8
820	K	28.2	Very low	29.6	Very low	197 Å²	197	146.2 Å²	146.2	86%	0.857	80%	0.796	S	S	*	*				70	107.6	82.5	-77.9	-172.3	174.3	-177.1	0	116.4
821	K	30	Very low	29.5	Very low	184 Å²	184	146.5 Å²	146.5	80%	0.8	79%	0.794	S	S	*	*				-175.9	117.7	99.1	-98.7	-174.6	173.5	-179.1	0	113.2
822	D	26.7	Very low	29.6	Very low	139 Å²	139	147 Å²	147	74%	0.743	80%	0.8	S	S	*	*			trans	35.9	121.5	134.1	-38.9	-33.3	0	0	0	120.7
823	V	31.8	Very low	29.5	Very low	146 Å²	146	144.4 Å²	144.4	89%	0.885	80%	0.797	S	S	*	*				-166.7	158.1	105.8	153.5	0	0	0	0	109.6
824	S	27.7	Very low	29.7	Very low	101 Å²	101	144.6 Å²	144.6	71%	0.706	79%	0.793	S	S	*	*			trans	-79.7	156.9	-156.5	49.8	0	0	0	0	118.8
825	P	28.8	Very low	29.4	Very low	120 Å²	120	144.1 Å²	144.1	78%	0.779	79%	0.79	S	S	*	*			trans	-104.7	150.6	171.7	38.9	-31.5	0	0	0	114.5
826	T	31.5	Very low	29.4	Very low	138 Å²	138	145 Å²	145	85%	0.847	78%	0.781	S	S	*	*			trans	-144.5	155.9	167.4	25.4	0	0	0	0	110.8
827	P	33.3	Very low	29	Very low	125 Å²	125	145.6 Å²	145.6	81%	0.812	79%	0.787	S	S	*	*				-118.4	178.4	-122	41.9	-35.3	0	0	0	117.1
828	Y	28.9	Very low	29.1	Very low	230 Å²	230	144.7 Å²	144.7	90%	0.902	78%	0.782	S	S	*	*			trans	-59.4	144.8	-177.2	-101.6	-114.4	0	0	0	115.8
829	I	26.7	Very low	28.9	Very low	148 Å²	148	142.7 Å²	142.7	76%	0.759	78%	0.778	S	S	*	*			trans	-70.9	131.2	166.6	-64.3	165.4	0	0	0	110	K831	I829-K831 HydrophobicContact CG2-CG 4.39Å
830	S	29.7	Very low	28.8	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	78%	0.784	S	S	*	*			trans	-125.4	121.8	157.2	57.9	0	0	0	0	109.7	I832	S830-I832 PolarHBondContact O-N 3.15Å
831	K	28.4	Very low	28.7	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.857	78%	0.784	S	S	*	*			trans	-77	121.1	-179.3	-73.4	-178.7	174.4	-178.8	0	109.9	I829	I829-K831 HydrophobicContact CG2-CG 4.39Å
832	I	30.7	Very low	28.8	Very low	147 Å²	147	139.4 Å²	139.4	75%	0.754	78%	0.778	S	S	*	*			trans	-86.1	111	171.4	-64.5	174.2	0	0	0	108.7	S830 R834	S830-I832 PolarHBondContact O-N 3.15Å; I832-R834 HydrophobicContact CG2-CB 4.28Å; I832-R834 PolarHBondContact O-N 3.36Å
833	T	26.5	Very low	28.7	Very low	137 Å²	137	140.6 Å²	140.6	84%	0.84	78%	0.777	S	S	*	*			trans	-79.5	108.3	166.5	-51.1	0	0	0	0	108.5
834	R	30.5	Very low	28.6	Very low	189 Å²	189	139.1 Å²	139.1	71%	0.713	77%	0.768	S	S	*	*			trans	-116.6	94.7	177.1	-141.7	178.1	-166.8	177.9	5.2	111.1	I832 L836	I832-R834 HydrophobicContact CG2-CB 4.28Å; I832-R834 PolarHBondContact O-N 3.36Å; R834-L836 HydrophobicContact CG-CD1 4.21Å; R834-L836 PolarHBondContact O-N 3.03Å
835	S	24.6	Very low	28.7	Very low	113 Å²	113	141.7 Å²	141.7	79%	0.79	77%	0.769	S	S	*	*			trans	-74.3	101	166.4	52.8	0	0	0	0	109.4
836	L	30.6	Very low	28.7	Very low	111 Å²	111	139.4 Å²	139.4	58%	0.581	77%	0.767	S	S	*	*			trans	-135.3	110.8	172.1	-96.6	168.4	0	0	0	110.8	R834 L838	R834-L836 HydrophobicContact CG-CD1 4.21Å; R834-L836 PolarHBondContact O-N 3.03Å; L836-L838 HydrophobicContact CB-CD1 4.35Å; L836-L838 HydrophobicContact CD2-CD1 4.05Å; L836-L838 PolarHBondContact O-N 3.36Å
837	S	25.2	Very low	28.7	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	77%	0.77	S	S	*	*			trans	-70.2	106.1	164.8	51	0	0	0	0	109.9
838	L	29.6	Very low	28.6	Very low	133 Å²	133	143.9 Å²	143.9	70%	0.696	77%	0.773	S	S	*	*			trans	-141.3	145.1	164.3	-88.5	119.9	0	0	0	109.7	L836	L836-L838 HydrophobicContact CB-CD1 4.35Å; L836-L838 HydrophobicContact CD2-CD1 4.05Å; L836-L838 PolarHBondContact O-N 3.36Å
839	P	28.3	Very low	28.7	Very low	120 Å²	120	141.8 Å²	141.8	78%	0.779	77%	0.773	S	S	*	*			trans	-72.9	134.8	174.5	31	-33.1	0	0	0	110.1	C841	P839-C841 PolarHBondContact O-N 3.16Å
840	L	28.5	Very low	28.9	Very low	147 Å²	147	140 Å²	140	77%	0.77	77%	0.771	S	S	*	*			trans	-65.6	128.9	170.5	-87.4	109.9	0	0	0	110.3	I842	L840-I842 HydrophobicContact CD2-CG1 4.3Å
841	C	26	Very low	28.7	Very low	126 Å²	126	145 Å²	145	85%	0.851	78%	0.78	S	S	*	*			trans	-120	100.1	164.3	-171.8	0	0	0	0	107.3	P839 K843	P839-C841 PolarHBondContact O-N 3.16Å; C841-K843 PolarHBondContact O-N 3.17Å
842	I	30.6	Very low	28.8	Very low	133 Å²	133	141.1 Å²	141.1	68%	0.682	78%	0.777	S	S	*	*			trans	-79.5	119.1	179.2	-62.6	175.7	0	0	0	108.5	L840 T844	L840-I842 HydrophobicContact CD2-CG1 4.3Å; I842-T844 PolarHBondContact O-N 3.08Å
843	K	25.8	Very low	28.6	Very low	164 Å²	164	138.8 Å²	138.8	71%	0.713	78%	0.78	S	S	*	*			trans	-84.7	105.4	173.3	-173.8	-165	-178.8	-154.6	0	108.7	C841 E845	C841-K843 PolarHBondContact O-N 3.17Å; K843-E845 IonicContact NZ-OE1 2.85Å; K843-E845 PolarHBondContact NZ-OE1 3.2Å
844	T	29.4	Very low	28.7	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	78%	0.782	S	S	*	*			trans	-83.3	113.2	169.2	52.8	0	0	0	0	109.8	I842	I842-T844 PolarHBondContact O-N 3.08Å
845	E	30.4	Very low	28.4	Very low	155 Å²	155	137.9 Å²	137.9	72%	0.724	79%	0.787	S	S	*	*			trans	-79.9	120	165	-70.3	-177.2	167.3	0	0	108.7	K843	K843-E845 IonicContact NZ-OE1 2.85Å; K843-E845 PolarHBondContact NZ-OE1 3.2Å
846	G	27	Very low	28.4	Very low	71 Å²	71	142 Å²	142	73%	0.732	79%	0.79	S	S	*	*			trans	-100.2	105.9	180	0	0	0	0	0	110.7
847	E	32.8	Very low	28.1	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	80%	0.802	S	S	*	*			trans	-91.6	139	164.9	-71.2	-151.9	132.6	0	0	111.5
848	N	29.8	Very low	28.2	Very low	162 Å²	162	147 Å²	147	87%	0.866	80%	0.804	S	S	*	*			trans	-85.3	129.1	-176.2	-66.5	-74.6	0	0	0	111.1
849	M	31	Very low	28.1	Very low	186 Å²	186	145.3 Å²	145.3	92%	0.916	80%	0.803	S	S	*	*			trans	-143.8	150	156	-102.1	-108	157	0	0	111.5
850	P	31.2	Very low	28.1	Very low	109 Å²	109	146.8 Å²	146.8	71%	0.708	80%	0.8	S	S	*	*			trans	-90.3	162.5	-153.7	34.9	-36.3	0	0	0	115.3	S852	P850-S852 PolarHBondContact O-N 3.14Å
851	K	26.4	Very low	28.1	Very low	214 Å²	214	147.9 Å²	147.9	93%	0.93	80%	0.801	S	S	*	*			trans	-59.4	124	178.9	-58.2	167.3	-178.4	174.4	0	112.5
852	S	30.5	Very low	28.3	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	80%	0.802	S	S	*	*			trans	-148.2	128.8	140.4	62.7	0	0	0	0	110.4	P850	P850-S852 PolarHBondContact O-N 3.14Å
853	A	25.4	Very low	28.1	Very low	98 Å²	98	152.7 Å²	152.7	81%	0.81	81%	0.809	S	S	*	*			trans	-90.7	121.5	-179.5	0	0	0	0	0	109.9
854	H	29.4	Very low	28.2	Very low	191 Å²	191	148.3 Å²	148.3	88%	0.884	81%	0.811	S	S	*	*			trans	-143.8	127.4	158.3	-100.6	-78.6	0	0	0	109.7
855	S	23.4	Very low	28.2	Very low	116 Å²	116	154.3 Å²	154.3	81%	0.811	82%	0.821	S	S	*	*			trans	-76	138.9	175.6	77.8	0	0	0	0	110.1
856	F	24.5	Very low	28.1	Very low	199 Å²	199	155.4 Å²	155.4	87%	0.873	83%	0.831	S	S	*	*			trans	-146.8	137.6	163.5	-147.2	-102.3	0	0	0	112.4
857	K	24.1	Very low	28.1	Very low	190 Å²	190	160.2 Å²	160.2	83%	0.826	84%	0.839	S	S	*	*			trans	-68.1	133.8	173.2	-72.7	172.4	170.6	176.9	0	109.5
858	V	28.8	Very low	27.9	Very low	147 Å²	147	156.2 Å²	156.2	89%	0.891	83%	0.832	S	S	*	*			trans	-87.1	114.7	163.9	179.6	0	0	0	0	108.9
859	S	27	Very low	27.8	Very low	97 Å²	97	154.3 Å²	154.3	68%	0.678	83%	0.83	S	S	*	*			trans	-72.9	152.8	173.7	-175.3	0	0	0	0	111.1	H861	S859-H861 PolarHBondContact O-N 3.06Å
860	E	28.2	Very low	27.6	Very low	151 Å²	151	154 Å²	154	71%	0.706	83%	0.831	S	S	*	*	S	Bend	trans	-59.4	104	164.8	-75.1	-161.9	111.1	0	0	110.1	K863	E860-K863 IonicContact OE1-NZ 3.45Å; E860-K863 PolarHBondContact OE1-NZ 3.26Å
861	H	28	Very low	27.4	Very low	170 Å²	170	157.3 Å²	157.3	79%	0.787	84%	0.837	S	S	*	*			trans	-162.3	64.1	165.2	-130.4	-78.9	0	0	0	114.2	S859	S859-H861 PolarHBondContact O-N 3.06Å
862	L	30.5	Very low	27.6	Very low	169 Å²	169	154.6 Å²	154.6	89%	0.885	83%	0.828	S	S	*	*			trans	-155.4	23.9	153.5	-133.3	76.6	0	0	0	115	G864	L862-G864 PolarHBondContact O-N 3.38Å; L862-G864 VanDerWaalsContact O-N 3.14Å
863	K	26.8	Very low	27.6	Very low	191 Å²	191	155.3 Å²	155.3	83%	0.83	83%	0.827	S	S	*	*			trans	-71	101	162.6	-80.6	172	-179.9	154.4	0	108.3	E860	E860-K863 IonicContact OE1-NZ 3.45Å; E860-K863 PolarHBondContact OE1-NZ 3.26Å
864	G	28.5	Very low	28	Very low	73 Å²	73	156.6 Å²	156.6	75%	0.753	82%	0.819	S	S	*	*	S	Bend	trans	140.8	47.2	169.6	0	0	0	0	0	117.6	L862	L862-G864 PolarHBondContact O-N 3.38Å; L862-G864 VanDerWaalsContact O-N 3.14Å
865	R	29.3	Very low	27.9	Very low	241 Å²	241	153.5 Å²	153.5	91%	0.909	81%	0.81	S	S	*	*	S	Bend	trans	-158.7	44.7	163.9	-125.2	176.1	-172.5	-165.4	1	115.3
866	L	28.7	Very low	28.4	Very low	177 Å²	177	155.5 Å²	155.5	93%	0.927	81%	0.806	S	S	*	*			trans	-155.7	55.5	173.8	-116	157.6	0	0	0	110.7
867	L	27	Very low	28.8	Very low	172 Å²	172	151.2 Å²	151.2	90%	0.901	80%	0.801	S	S	*	*			trans	-139.7	62.9	-172	-145	164.9	0	0	0	110
868	S	28	Very low	28.8	Very low	112 Å²	112	148 Å²	148	78%	0.783	80%	0.801	S	S	*	*	S	Bend	trans	-155.9	4.6	179.9	66.5	0	0	0	0	117.2
869	C	27.2	Very low	28.8	Very low	122 Å²	122	150 Å²	150	82%	0.824	80%	0.8	S	S	*	*	S	Bend	trans	-138.6	17.6	-173.7	-81.4	0	0	0	0	116.5
870	L	26.1	Very low	28.7	Very low	179 Å²	179	150.6 Å²	150.6	94%	0.937	81%	0.805	S	S	*	*			trans	-138.8	97.7	174.3	-97.1	160	0	0	0	110.5
871	H	27.1	Very low	28.6	Very low	179 Å²	179	152 Å²	152	83%	0.829	81%	0.812	S	S	*	*			trans	-148.8	150.9	167.4	-158.5	-94.5	0	0	0	108.9
872	E	30.5	Very low	28.5	Very low	158 Å²	158	149.6 Å²	149.6	74%	0.738	81%	0.808	S	S	*	*			trans	67.5	109.2	-168.5	-51.6	-176.4	138.7	0	0	112.6
873	T	31.9	Very low	28.3	Very low	129 Å²	129	148.6 Å²	148.6	79%	0.791	81%	0.809	S	S	*	*			cis	-151.7	101.7	46.4	-55.8	0	0	0	0	108.7
874	I	32.9	Very low	28.3	Very low	125 Å²	125	146.2 Å²	146.2	64%	0.641	81%	0.805	S	S	*	*				80.7	114.1	93.5	-70.5	169.6	0	0	0	114.7
875	N	28.3	Very low	28.2	Very low	127 Å²	127	146.4 Å²	146.4	68%	0.679	80%	0.795	S	S	*	*			trans	68.3	145.8	153.9	-67.3	18.2	0	0	0	119.9
876	E	33.4	Very low	28	Very low	157 Å²	157	143.7 Å²	143.7	73%	0.734	79%	0.79	S	S	*	*			cis	-154.1	155.9	12.2	-135.2	155.9	-119.5	0	0	115
877	S	32.2	Very low	28	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	79%	0.788	S	S	*	*			trans	66.2	106.3	153.3	-64.4	0	0	0	0	122.5
878	C	25	Very low	27.9	Very low	122 Å²	122	142.5 Å²	142.5	82%	0.824	79%	0.785	S	S	*	*			trans	-48.6	153.7	149.9	-53.7	0	0	0	0	114
879	E	28.8	Very low	27.8	Very low	188 Å²	188	145.8 Å²	145.8	88%	0.879	79%	0.788	S	S	*	*				-161.5	141.8	99.1	-109.2	-172.8	164	0	0	113
880	S	24.6	Very low	27.8	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	79%	0.794	S	S	*	*			trans	-83.2	140	176.7	-58.8	0	0	0	0	110.9
881	Q	25.8	Very low	27.8	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	79%	0.788	S	S	*	*			trans	-159	138.5	148.6	-117.8	175.9	70.9	0	0	116
882	V	26.4	Very low	27.9	Very low	118 Å²	118	146.8 Å²	146.8	72%	0.715	78%	0.782	S	S	*	*			trans	62.7	108.7	158.1	-166.8	0	0	0	0	119.5	D884	V882-D884 HydrophobicContact CG1-CB 4.33Å
883	V	25.1	Very low	27.7	Very low	149 Å²	149	144.4 Å²	144.4	90%	0.903	78%	0.777	S	S	*	*			trans	-86.1	123.7	144.4	173.5	0	0	0	0	108
884	D	26.5	Very low	27.5	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	77%	0.771	S	S	*	*			trans	-143	155.6	148.7	-155	-10.8	0	0	0	110.1	V882	V882-D884 HydrophobicContact CG1-CB 4.33Å
885	S	26.7	Very low	27.4	Very low	77 Å²	77	150.3 Å²	150.3	54%	0.538	78%	0.778	S	S	.	*			trans	-76.7	159.5	-166.5	63.2	0	0	0	0	114.6
886	K	26.1	Very low	27.4	Very low	184 Å²	184	153.1 Å²	153.1	80%	0.8	78%	0.781	S	S	*	*			trans	80.2	88.6	168.1	-48.7	159.3	-171.1	168.4	0	116
887	N	27.9	Very low	27.2	Very low	166 Å²	166	154.2 Å²	154.2	89%	0.888	79%	0.791	S	S	*	*				-172.8	159.7	110.8	-97.2	-26.6	0	0	0	113	Q889	N887-Q889 PolarHBondContact O-N 3.44Å
888	N	24.6	Very low	27	Very low	157 Å²	157	157 Å²	157	84%	0.84	79%	0.792	S	S	*	*			trans	-59.1	121.9	177.2	-70.7	-26.2	0	0	0	112.3
889	Q	26.7	Very low	27.3	Very low	182 Å²	182	159 Å²	159	85%	0.85	79%	0.789	S	S	*	*			trans	-158.4	130.6	150	-116.5	157.7	-2.4	0	0	111.8	N887	N887-Q889 PolarHBondContact O-N 3.44Å
890	Y	26.9	Very low	27.3	Very low	238 Å²	238	156.2 Å²	156.2	93%	0.933	78%	0.78	S	S	*	*			trans	-74.6	123.5	174.2	-79.6	-104.1	0	0	0	109.6
891	L	25.5	Very low	27.7	Very low	155 Å²	155	158.5 Å²	158.5	81%	0.812	78%	0.782	S	S	*	*			trans	-107	124.4	167.5	-98.8	123	0	0	0	109.4
892	P	29.6	Very low	28.1	Very low	108 Å²	108	156.6 Å²	156.6	70%	0.701	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-76.9	124.5	173.1	30.3	-31.6	0	0	0	110.2	R894	P892-R894 PolarHBondContact O-N 2.85Å
893	V	26.4	Very low	28.2	Very low	107 Å²	107	158.5 Å²	158.5	65%	0.648	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.4	120.5	175.4	-177.7	0	0	0	0	109.3	Y895	V893-Y895 HydrophobicContact CB-CE2 4.05Å; V893-Y895 HydrophobicContact CG1-CD2 3.97Å; V893-Y895 HydrophobicContact CG1-CE1 4.39Å; V893-Y895 HydrophobicContact CG1-CE2 3.44Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.44Å
894	R	28.7	Very low	28.7	Very low	173 Å²	173	159.5 Å²	159.5	65%	0.653	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-80	122.8	169.3	-77	-173.9	171.8	-170.1	-2.2	109.8	P892	P892-R894 PolarHBondContact O-N 2.85Å
895	Y	29.5	Very low	29.1	Very low	205 Å²	205	161.6 Å²	161.6	80%	0.804	78%	0.784	S	S	*	*			trans	-107.2	131.6	162.6	-69.6	-80.7	0	0	0	109.1	V893	V893-Y895 HydrophobicContact CB-CE2 4.05Å; V893-Y895 HydrophobicContact CG1-CD2 3.97Å; V893-Y895 HydrophobicContact CG1-CE1 4.39Å; V893-Y895 HydrophobicContact CG1-CE2 3.44Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.44Å
896	Y	28.3	Very low	29.3	Very low	187 Å²	187	165.2 Å²	165.2	73%	0.733	80%	0.797	S	S	*	*			trans	-93.3	133.3	168.4	-62.7	-86.5	0	0	0	108.3
897	L	30	Very low	29.6	Very low	179 Å²	179	158.6 Å²	158.6	94%	0.937	78%	0.781	S	S	*	*			trans	-106.4	102.9	165.4	-91.1	162.2	0	0	0	107.5
898	E	28.8	Very low	29.8	Very low	170 Å²	170	162.3 Å²	162.3	79%	0.794	78%	0.782	S	S	*	*			trans	-82.4	126	163.1	-74	-172.5	131.6	0	0	108.8
899	E	30.2	Very low	30	Very low	163 Å²	163	161.8 Å²	161.8	76%	0.762	78%	0.78	S	S	*	*			trans	-100.1	83.4	174.9	-166.6	173.1	-135.3	0	0	108.9
900	N	28.7	Very low	30.4	Very low	130 Å²	130	160.8 Å²	160.8	70%	0.695	78%	0.78	S	S	*	*			trans	-110.5	99	167.3	-80.3	-40.8	0	0	0	108.6
901	I	33.9	Very low	30.6	Very low	158 Å²	158	158.3 Å²	158.3	81%	0.81	77%	0.774	S	S	*	*			trans	-106.2	89.8	165.8	-58.8	179.8	0	0	0	107.1
902	D	33.6	Very low	30.8	Very low	141 Å²	141	162.1 Å²	162.1	75%	0.754	78%	0.779	S	S	*	*			trans	-76.8	151.5	166.7	-94.6	-45.6	0	0	0	110.9
903	N	29.6	Very low	30.7	Very low	159 Å²	159	163.2 Å²	163.2	85%	0.85	78%	0.779	S	S	*	*			trans	-63.3	148.5	177.9	-61.8	-76.4	0	0	0	112
904	H	34	Very low	30.8	Very low	169 Å²	169	163 Å²	163	78%	0.782	78%	0.779	S	S	*	*			trans	-140.8	160.4	165.9	-125.1	-72	0	0	0	111.6
905	Q	35.1	Very low	30.8	Very low	186 Å²	186	161 Å²	161	87%	0.869	78%	0.781	S	S	*	*			trans	87.1	87.1	-174.3	-57.6	175.7	-21.8	0	0	112.4
906	D	32.3	Very low	30.8	Very low	153 Å²	153	158.7 Å²	158.7	82%	0.818	78%	0.777	S	S	*	*			cis	82.9	121.2	35	-162.6	23.7	0	0	0	115.8
907	G	30.5	Very low	30.7	Very low	45 Å²	45	155.5 Å²	155.5	46%	0.464	78%	0.777	S	S	.	*			trans	78.5	90	142.8	0	0	0	0	0	120.5
908	R	32	Very low	30.6	Very low	243 Å²	243	151.9 Å²	151.9	92%	0.917	77%	0.767	S	S	*	*				176.9	145.1	90	-102.5	166.4	-82	-170	-8.7	115.2
909	D	30.9	Very low	30.8	Very low	147 Å²	147	149.3 Å²	149.3	79%	0.786	76%	0.763	S	S	*	*			trans	-63.9	140.5	160.1	-52.5	-84.6	0	0	0	110.9
910	D	34.3	Very low	30.6	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	76%	0.762	S	S	*	*				-172.1	151.5	109	-105.6	-36.1	0	0	0	112.6
911	K	29.9	Very low	30.8	Very low	186 Å²	186	151 Å²	151	81%	0.809	77%	0.768	S	S	*	*			trans	-67	145.1	171.2	-65.2	162.9	178.3	163.6	0	109.5
912	Y	31.1	Very low	30.6	Very low	235 Å²	235	151.7 Å²	151.7	92%	0.922	77%	0.768	S	S	*	*				-160.9	152.7	116.6	-110.3	-75.7	0	0	0	111.4
913	N	27.9	Very low	30.5	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	77%	0.765	S	S	*	*			trans	-107.2	152	-175	-160.1	21.9	0	0	0	109.8
914	T	27.9	Very low	30.4	Very low	104 Å²	104	150.7 Å²	150.7	64%	0.638	76%	0.762	S	S	*	*			trans	62	124.1	155.1	42	0	0	0	0	121
915	N	28.3	Very low	30.3	Very low	129 Å²	129	152.3 Å²	152.3	69%	0.69	77%	0.769	S	S	*	*			trans	102.8	125.3	134.3	-69.4	14.4	0	0	0	121.6
916	E	29.4	Very low	30.2	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	76%	0.763	S	S	*	*			trans	86.2	96.2	132.2	-75.9	172.6	-178.6	0	0	121.7
917	T	26.5	Very low	29.9	Very low	119 Å²	119	148.5 Å²	148.5	73%	0.73	76%	0.759	S	S	*	*				68	116.1	122.6	53.6	0	0	0	0	121.8
918	S	27.5	Very low	29.8	Very low	103 Å²	103	154.3 Å²	154.3	72%	0.72	78%	0.778	S	S	*	*				99.3	136.9	119.5	-70.1	0	0	0	0	121.8
919	T	32.5	Very low	29.6	Very low	117 Å²	117	148.4 Å²	148.4	72%	0.718	77%	0.774	S	S	*	*			trans	77	99.3	149	47.7	0	0	0	0	120.9
920	D	27.2	Very low	29.6	Very low	137 Å²	137	150.7 Å²	150.7	73%	0.733	78%	0.78	S	S	*	*				60.3	105	115.9	-50.9	-14.1	0	0	0	121.4
921	K	33.3	Very low	29.3	Very low	191 Å²	191	152.6 Å²	152.6	83%	0.83	78%	0.78	S	S	*	*				159.1	108	117.4	-86.4	160.5	-176.5	175.1	0	109.4
922	E	28	Very low	29.1	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	78%	0.784	S	S	*	*				84.4	144.8	78.4	-163	-177.9	-152	0	0	112.5
923	I	31.5	Very low	29	Very low	134 Å²	134	151 Å²	151	69%	0.687	79%	0.786	S	S	*	*			trans	99.6	93.5	168.9	-51.1	-178.6	0	0	0	116.7
924	N	28.8	Very low	29	Very low	145 Å²	145	150 Å²	150	78%	0.775	79%	0.789	S	S	*	*			trans	64.9	101.7	139	-54.2	-6	0	0	0	121.6
925	E	32.3	Very low	29	Very low	202 Å²	202	154.1 Å²	154.1	94%	0.944	80%	0.801	S	S	*	*				-152.1	157.7	106.1	-125.3	172.5	176.2	0	0	110.7
926	V	31.2	Very low	28.9	Very low	121 Å²	121	156.8 Å²	156.8	73%	0.733	81%	0.809	S	S	*	*			trans	-111.5	144.4	-156.3	167.2	0	0	0	0	113.6
927	D	27.4	Very low	28.9	Very low	139 Å²	139	159 Å²	159	74%	0.743	82%	0.817	S	S	*	*			trans	-1.3	144.5	162	-60.5	-53	0	0	0	120.7
928	I	27.9	Very low	28.8	Very low	166 Å²	166	161.6 Å²	161.6	85%	0.851	82%	0.82	S	S	*	*				161.9	99.8	108	-73.9	152.2	0	0	0	108.3
929	S	28.7	Very low	28.8	Very low	119 Å²	119	162.2 Å²	162.2	83%	0.832	82%	0.822	S	S	*	*	S	Bend	trans	-167.4	-14.7	161.2	43.6	0	0	0	0	117.3
930	E	29.9	Very low	28.5	Very low	195 Å²	195	162.3 Å²	162.3	91%	0.911	82%	0.822	S	S	*	*	S	Bend	trans	-101.4	76.6	176.1	-73.7	-162.3	133	0	0	113.8
931	K	27.6	Very low	28.5	Very low	201 Å²	201	163.2 Å²	163.2	87%	0.874	83%	0.826	S	S	*	*	S	Bend	trans	-158.3	21.3	164.6	-127.4	171.7	-172.5	176.7	0	117.8
932	L	27.1	Very low	28.1	Very low	167 Å²	167	162.1 Å²	162.1	87%	0.874	82%	0.821	S	S	*	*	S	Bend	trans	-132	40.6	-172.4	-97.8	160.8	0	0	0	114.6
933	F	29.2	Very low	28.1	Very low	220 Å²	220	161.8 Å²	161.8	97%	0.965	82%	0.823	S	S	*	*	S	Bend	trans	-138.7	45.7	167.6	-101.1	-78.5	0	0	0	112.3
934	S	26.8	Very low	27.9	Very low	111 Å²	111	159.8 Å²	159.8	78%	0.776	82%	0.818	S	S	*	*	S	Bend	trans	-150.3	52.7	177.8	179.3	0	0	0	0	112.1
935	E	27.1	Very low	27.8	Very low	189 Å²	189	159.4 Å²	159.4	88%	0.883	82%	0.815	S	S	*	*	S	Bend	trans	-166.8	164.5	160.6	-114.2	164.2	-165.3	0	0	110.7
936	Q	27.1	Very low	27.4	Very low	185 Å²	185	156.5 Å²	156.5	86%	0.864	81%	0.806	S	S	*	*			trans	65.4	72.2	178.3	-56.1	-166.5	-3.4	0	0	117.9
937	K	30.2	Very low	27.3	Very low	206 Å²	206	159 Å²	159	90%	0.896	81%	0.814	S	S	*	*			trans	-140.8	51.6	150	-119.8	179.7	-166.9	175.3	0	115
938	Q	24.4	Very low	27.3	Very low	173 Å²	173	157.2 Å²	157.2	81%	0.808	81%	0.808	S	S	*	*			trans	-179.8	150.2	153	-104.4	173.6	61.6	0	0	107
939	P	26.6	Very low	27.1	Very low	115 Å²	115	156.7 Å²	156.7	75%	0.747	81%	0.805	S	S	*	*			cis	-127.6	166.4	47.5	40.6	-28.5	0	0	0	116.6	L941	P939-L941 PolarHBondContact O-N 3.14Å
940	V	25.6	Very low	27.1	Very low	119 Å²	119	156 Å²	156	72%	0.721	80%	0.8	S	S	*	*			trans	-33.4	127.7	149.1	176.5	0	0	0	0	112
941	L	27.4	Very low	26.9	Very low	157 Å²	157	152.2 Å²	152.2	82%	0.822	79%	0.791	S	S	*	*			trans	-121.2	126.3	153.1	-148.2	84.9	0	0	0	109.2	P939	P939-L941 PolarHBondContact O-N 3.14Å
942	K	24.4	Very low	26.8	Very low	168 Å²	168	147.6 Å²	147.6	73%	0.73	78%	0.784	S	S	*	*			trans	-64.1	137.4	167.8	-68.6	173.8	175	178.3	0	108.8
943	I	29.8	Very low	27	Very low	166 Å²	166	146.7 Å²	146.7	85%	0.851	78%	0.779	S	S	*	*			trans	-116.3	79.4	149.1	-55.8	179.5	0	0	0	106.1
944	T	25.6	Very low	26.9	Very low	92 Å²	92	142.5 Å²	142.5	56%	0.564	77%	0.771	S	S	*	*			trans	-101.3	150.9	149.5	50.7	0	0	0	0	107.2
945	D	26.7	Very low	27.2	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	78%	0.777	S	S	*	*	S	Bend	trans	89.7	139.6	165.9	-43.6	-45.1	0	0	0	116.9
946	D	25.5	Very low	27.3	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	78%	0.775	S	S	*	*			trans	69.1	71.6	165.4	-55.5	-17.2	0	0	0	120.7
947	I	29.5	Very low	27.6	Very low	172 Å²	172	142.7 Å²	142.7	88%	0.882	77%	0.77	S	S	*	*			trans	-116.6	94.9	130.2	-61.1	-176.4	0	0	0	108.9
948	T	25.5	Very low	27.7	Very low	102 Å²	102	140.9 Å²	140.9	63%	0.626	77%	0.77	S	S	*	*			trans	-65.3	128.7	178.3	-47.1	0	0	0	0	111.1	S950	T948-S950 PolarHBondContact O-N 2.98Å
949	I	25.5	Very low	28	Very low	156 Å²	156	139.7 Å²	139.7	80%	0.8	77%	0.769	S	S	*	*			trans	-67.5	99.9	168.3	-62.6	171.2	0	0	0	108.2
950	S	27.8	Very low	28.4	Very low	103 Å²	103	143 Å²	143	72%	0.72	77%	0.772	S	S	*	*			trans	-106.4	82.1	177.7	-61.5	0	0	0	0	110.5	T948	T948-S950 PolarHBondContact O-N 2.98Å
951	T	25.4	Very low	28.7	Very low	116 Å²	116	143 Å²	143	71%	0.712	77%	0.773	S	S	*	*			trans	-71.2	155.6	162.5	42.2	0	0	0	0	111.4
952	S	26.6	Very low	28.7	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	77%	0.768	S	S	*	*			trans	77	146.9	178.8	82.4	0	0	0	0	114.9
953	L	29.8	Very low	29.2	Very low	147 Å²	147	140 Å²	140	77%	0.77	77%	0.767	S	S	*	*			cis	-124	140.1	1.3	-65.4	81.4	0	0	0	108.5
954	V	27.5	Very low	29.5	Very low	133 Å²	133	138.9 Å²	138.9	81%	0.806	76%	0.763	S	S	*	*				35	99.2	84.8	-174.1	0	0	0	0	114.4
955	Q	32.7	Very low	29.8	Very low	191 Å²	191	139.9 Å²	139.9	89%	0.893	77%	0.774	S	S	*	*			trans	-138.9	146	150.6	-148.2	138.5	-14.6	0	0	109.4
956	Q	30	Very low	30.2	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	78%	0.776	S	S	*	*			trans	-78.3	160.1	-158.6	-76.9	169.3	-92.1	0	0	114.4
957	P	32.6	Very low	30.6	Very low	118 Å²	118	136.8 Å²	136.8	77%	0.766	78%	0.776	S	S	*	*			trans	-82.5	158.9	176.6	35.8	-36	0	0	0	112.3
958	D	33.4	Very low	30.7	Very low	167 Å²	167	136.7 Å²	136.7	89%	0.893	77%	0.772	S	S	*	*			trans	-126.5	142.7	162.4	-91.8	-43.9	0	0	0	110.5
959	D	30.8	Very low	31	Very low	148 Å²	148	140.3 Å²	140.3	79%	0.791	78%	0.779	S	S	*	*			trans	-70.6	150.1	-168.7	-68.4	-59.2	0	0	0	115.3
960	K	34.8	Very low	31.3	Very low	186 Å²	186	139.1 Å²	139.1	81%	0.809	77%	0.774	S	S	*	*				179.8	133.7	108.2	-94.5	152.3	-169.9	166.4	0	116.3
961	T	31.7	Very low	31.4	Very low	119 Å²	119	138.3 Å²	138.3	73%	0.73	77%	0.768	S	S	*	*			trans	61.6	107.1	147.7	53.6	0	0	0	0	119.7
962	C	27.8	Very low	31.8	Very low	106 Å²	106	139 Å²	139	72%	0.716	77%	0.768	S	S	*	*				77.5	128.1	94.9	-62.8	0	0	0	0	113.6
963	H	35	Very low	32.3	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.718	77%	0.767	S	S	*	*			cis	-158.8	156.6	38.9	-96.8	-71.2	0	0	0	113.7
964	N	34.3	Very low	32.6	Very low	142 Å²	142	141 Å²	141	76%	0.759	77%	0.766	S	S	*	*			trans	41.7	141.6	140.9	-46.7	-3.8	0	0	0	120.3
965	S	31.9	Very low	32.6	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	76%	0.758	S	S	*	*			cis	-161.1	156.9	21.9	-168.1	0	0	0	0	111.8
966	P	35.1	Very low	32.7	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	76%	0.756	S	S	*	*			trans	-116.7	168.9	-173.5	41.8	-33.2	0	0	0	116.8
967	A	35.4	Very low	32.8	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	75%	0.747	S	S	*	*			trans	-155.8	110.3	156.1	0	0	0	0	0	108.5
968	Q	31.2	Very low	33	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	75%	0.753	S	S	*	*				53	121.8	88.2	-62	-171.5	-14.1	0	0	113.3
969	F	31.1	Very low	33	Very low	178 Å²	178	139.6 Å²	139.6	78%	0.781	74%	0.742	S	S	*	*				-160.4	147.8	75.5	-111.9	-114.7	0	0	0	114.2
970	L	32	Very low	33.3	Very low	131 Å²	131	138.8 Å²	138.8	69%	0.686	74%	0.742	S	S	*	*			trans	23.5	128.7	163.9	-75.8	87.9	0	0	0	121.2
971	S	29.6	Very low	33.1	Very low	86 Å²	86	134 Å²	134	60%	0.601	73%	0.732	S	S	*	*			cis	81.4	114	36.2	83.7	0	0	0	0	117.2
972	N	35.1	Very low	33.3	Very low	131 Å²	131	135.3 Å²	135.3	70%	0.701	74%	0.735	S	S	*	*				172.2	133.2	117.5	-89.4	-7.9	0	0	0	115.8
973	H	37.3	Very low	33.5	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.718	74%	0.738	S	S	*	*			trans	54.9	142.5	148.5	-69.7	-93	0	0	0	120.7
974	D	34.9	Very low	33.5	Very low	140 Å²	140	132.5 Å²	132.5	75%	0.749	74%	0.74	S	S	*	*			cis	-152.3	164.4	5.6	-127.8	-32.5	0	0	0	114.1
975	C	27.9	Very low	33.3	Very low	95 Å²	95	130.8 Å²	130.8	64%	0.642	74%	0.739	S	S	*	*			trans	-145.4	131.8	-172.3	176.6	0	0	0	0	114.3
976	I	36	Very low	33.2	Very low	167 Å²	167	133.7 Å²	133.7	86%	0.856	74%	0.74	S	S	*	*			trans	-145.6	113.4	166.2	-54	179.2	0	0	0	106.9
977	K	31.4	Very low	33.2	Very low	150 Å²	150	133.8 Å²	133.8	65%	0.652	74%	0.739	S	S	*	*			cis	86.4	101.8	16.7	-145.9	-174.9	-169.7	-177.1	0	116.5
978	K	35.6	Very low	32.9	Very low	203 Å²	203	138.1 Å²	138.1	88%	0.883	74%	0.744	S	S	*	*			trans	-169.1	106.1	148.8	-103.7	167.8	-176.4	179.1	0	107.9
979	H	33.9	Very low	33	Very low	144 Å²	144	139.4 Å²	139.4	67%	0.667	75%	0.746	S	S	*	*				81.9	148.7	63.1	-96.8	-81.8	0	0	0	116.7
980	V	36.5	Very low	33.1	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	74%	0.744	S	S	*	*			trans	89.2	102.6	-179.9	-168.6	0	0	0	0	113.3
981	S	31.1	Very low	33	Very low	85 Å²	85	139.5 Å²	139.5	59%	0.594	75%	0.751	S	S	*	*			cis	84.3	131.1	18.1	86.6	0	0	0	0	118.2
982	N	35.7	Very low	33	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	76%	0.763	S	S	*	*			trans	81.3	144.7	172.1	-64	4.3	0	0	0	117.3
983	T	33.6	Very low	32.9	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	76%	0.761	S	S	*	*			cis	-169.3	141.9	-9	21.5	0	0	0	0	110.3
984	G	33.3	Very low	32.6	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	77%	0.771	S	S	*	*			trans	65.9	164.9	158.5	0	0	0	0	0	118.2
985	S	30.4	Very low	32.4	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	77%	0.77	S	S	*	*			cis	-167.7	148.2	-19.5	46.7	0	0	0	0	110
986	E	31.3	Very low	32.7	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	78%	0.776	S	S	*	*			trans	72.2	146.9	155.5	-69.4	178.6	163.4	0	0	123.4
987	T	33.5	Very low	32.5	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	77%	0.768	S	S	*	*			trans	66.9	92	159.4	50.4	0	0	0	0	120.8
988	E	28.9	Very low	32.2	Very low	182 Å²	182	143.2 Å²	143.2	85%	0.85	78%	0.78	S	S	*	*				39.1	91.6	114.6	-165.6	178.1	-146.6	0	0	117.9
989	K	34.5	Very low	32.1	Very low	196 Å²	196	141.4 Å²	141.4	85%	0.852	77%	0.772	S	S	*	*			trans	-163.1	113.1	147.7	-106.7	143.2	-168.6	167.7	0	113.9
990	T	32.3	Very low	32	Very low	120 Å²	120	142.9 Å²	142.9	74%	0.736	78%	0.779	S	S	*	*			trans	10.9	121.6	139.4	-11.6	0	0	0	0	119.7
991	K	30	Very low	31.5	Very low	192 Å²	192	145 Å²	145	84%	0.835	78%	0.781	S	S	*	*			trans	71	129.2	144.6	-86.7	173.4	179.8	170.3	0	121.1
992	K	30.3	Very low	31.5	Very low	195 Å²	195	150 Å²	150	85%	0.848	80%	0.795	S	S	*	*			trans	103.2	129.8	136.3	-83.9	-179	174.1	-176.8	0	120.5
993	S	32.2	Very low	31.2	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	79%	0.792	S	S	*	*			trans	88.2	89.5	135.6	-172.7	0	0	0	0	119.7
994	K	31.4	Very low	31.1	Very low	214 Å²	214	150.4 Å²	150.4	93%	0.93	79%	0.792	S	S	*	*				-149.8	87.2	106.8	-107.7	174.8	-175.3	178.3	0	111
995	A	31.8	Very low	30.8	Very low	89 Å²	89	153 Å²	153	74%	0.736	79%	0.789	S	S	*	*			trans	-133.3	130.6	163.6	0	0	0	0	0	106.9
996	F	32.9	Very low	30.9	Very low	176 Å²	176	157.1 Å²	157.1	77%	0.772	79%	0.793	S	S	*	*			trans	-155.4	138.8	179.7	-110.9	-91.6	0	0	0	110
997	P	31.2	Very low	30.8	Very low	106 Å²	106	154.5 Å²	154.5	69%	0.688	79%	0.789	S	S	*	*			cis	-121.9	128.7	-15.7	23.4	-2.5	0	0	0	113.6
998	S	26	Very low	30.7	Very low	128 Å²	128	154.8 Å²	154.8	90%	0.895	79%	0.785	S	S	*	*			trans	-104	102.7	141.5	46.9	0	0	0	0	108.9
999	K	33.1	Very low	30.9	Very low	165 Å²	165	154.1 Å²	154.1	72%	0.717	78%	0.782	S	S	*	*			trans	-106.1	148.2	156.5	-72.4	-178	175.5	-175.8	0	106
1000	Q	31.8	Very low	30.8	Very low	175 Å²	175	149.8 Å²	149.8	82%	0.818	77%	0.772	S	S	*	*			cis	-149.8	157.8	-2.1	-134.9	162.8	-56.1	0	0	108.3
1001	Q	27.4	Very low	30.8	Very low	175 Å²	175	150.9 Å²	150.9	82%	0.818	77%	0.773	S	S	*	*			trans	-105.8	165	-178.7	-161	171.3	11	0	0	110
1002	Q	29.3	Very low	31.1	Very low	189 Å²	189	152.1 Å²	152.1	88%	0.883	80%	0.796	S	S	*	*			trans	76	122.9	178.7	-51.3	169.2	-31.7	0	0	113.2
1003	S	31	Very low	31.1	Very low	105 Å²	105	150 Å²	150	73%	0.734	79%	0.794	S	S	*	*				-155.3	141.5	50.9	60.6	0	0	0	0	115.2
1004	F	29.9	Very low	31.1	Very low	179 Å²	179	153 Å²	153	79%	0.785	80%	0.801	S	S	*	*			trans	52.6	117.2	132.8	-89.5	-113.2	0	0	0	121.9
1005	N	28.4	Very low	31.1	Very low	131 Å²	131	149.6 Å²	149.6	70%	0.701	79%	0.794	S	S	*	*				55.6	137.8	123.8	-67	-0.4	0	0	0	122.3
1006	K	32.1	Very low	31	Very low	191 Å²	191	153.2 Å²	153.2	83%	0.83	80%	0.798	S	S	*	*			trans	73.5	113.9	168.6	-65.6	-176.9	173.6	-174.3	0	114.1
1007	T	28.9	Very low	30.9	Very low	120 Å²	120	151.8 Å²	151.8	74%	0.736	80%	0.799	S	S	*	*			cis	76.4	126.7	40.8	-49.5	0	0	0	0	112.2
1008	I	32.1	Very low	30.9	Very low	130 Å²	130	154.8 Å²	154.8	67%	0.667	81%	0.807	S	S	*	*			trans	86.1	130.9	163.3	-78.2	160.9	0	0	0	117.9
1009	E	33.3	Very low	31.2	Very low	167 Å²	167	156.7 Å²	156.7	78%	0.78	80%	0.8	S	S	*	*			trans	65.6	144.2	155.3	-79.6	153.1	-155.6	0	0	120.3
1010	T	32.3	Very low	31.1	Very low	106 Å²	106	156.1 Å²	156.1	65%	0.65	81%	0.807	S	S	*	*			cis	-168	169.8	-25.2	9.7	0	0	0	0	108.1
1011	D	31.6	Very low	31	Very low	143 Å²	143	154.5 Å²	154.5	77%	0.765	81%	0.806	S	S	*	*			trans	50.6	113.9	155.3	-47.8	-23.9	0	0	0	118.1
1012	V	36.2	Very low	31.4	Very low	218 Å²	218	152.6 Å²	152.6	100%	1.321	81%	0.805	S	S	*	*				-147.4	0	60.2	166.2	0	0	0	0	111.6

Retrieved 1,012 of 1,012 residues in 271.8 ms (Link to these results)

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