A0A3Q0KPE2_SCHMA Loading...

Putative sorbin

AlphaFold DB (A0A5K4ESC0), UniProt , Accession A0A3Q0KPE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 856 aa.

						>A0A3Q0KPE2_SCHMA|A0A3Q0KPE2
MITNPSYLKMVGERSTSEQRGPSVLAKPIRPSPFSGSYRAASAENKHVHEPWVFNNNPQVLDNSSKNHRNAQRSSIASLSSSSALSIDERFNGGLNIKSFEKYAHMGQPHVIALYNFETGVDGDLEFEVGDIIMLEDIVDESWYKGRSIRTGAVGIFPMNHVEVRIPLTSGLFTNTQPKMQFVYSNRSKNCINTIRTYSHPSFRKKPVPLPKIINQSAPNYIHTNYTLCSQKLSTCNLPKRPSKIRVDSLKAKHEGSSSNSTESLNSQTTNSLLNCKSPTYNLTNTDQYRVCTTPLSTSLPVNNLLPSRVQVSTKPFSHSTVKSPSSLQIKSQLAPNPTPPPPPPPSSSTSTDHIQEQQQIPKPCNAPPVINSLKPRNQTAISQIAQMLQEKGIVSYRSRQMPSGAKHLYPGSHPLLVSSAPSSSERLKSLTQMNNIHDKNNNNIINGTENNNHNVNKKIQDETTNKVNNEKSEEEQTSVKTTKYHSPLLVETVLSKLLPELNRSPSRSSDSNSLNKTPNNKNTLDPRMDSSKRLDVDRKHSIENSYSTDIKNGTVTNTTTNNNISNASNHLKHSSESNKHNGIETDDGDQSTDAKSITIVKSAKLLRNNSSTTNKSNFDYNSHIRRAYTITKPPEKLITSKAYISLSSSGKSLNNNQISTTTTTAEETKTNVRCNQQSPRSESNHQYSLMDSTGESNHSKLIATNDWLIVEHEQLGNESTGELHLTVGDILKCIDSNPQVCDTRSDTHHQYSLSSSSSRKWIKCENWFGVIGLAKISNVRVIDNSNELASCLEARPRVKALYKFDEETDEDLGLSPGEIVYLFEAIDENWYRGESASTGNRGMFPATFVEVIKPL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	38.6	Very low	228 Å²	228	143.5 Å²	143.5	100%	1.123	75%	0.75	S	S	*	*				0	117.9	0	-75.1	156.3	172.1	0	0	106.8
2	I	36.1	Very low	38.7	Very low	147 Å²	147	136.9 Å²	136.9	75%	0.754	74%	0.742	S	S	*	*				64.6	86.5	99.7	-59.4	167.6	0	0	0	109.2
3	T	37.2	Very low	38.8	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	74%	0.737	S	S	*	*				72.2	96.2	69.5	69	0	0	0	0	116
4	N	34.5	Very low	38.6	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	74%	0.74	S	S	*	*			trans	65.3	-176.7	134.1	-130.2	15.4	0	0	0	116.5
5	P	50.6	Low	38.6	Very low	92 Å²	92	139.8 Å²	139.8	60%	0.597	74%	0.739	S	S	*	*				-130.5	-149.3	-116.5	42.6	-22.6	0	0	0	112.4
6	S	37.8	Very low	38.6	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	74%	0.742	S	S	*	*			trans	79	165.7	167.4	-15	0	0	0	0	113.7
7	Y	34.4	Very low	38.6	Very low	196 Å²	196	137.1 Å²	137.1	77%	0.769	74%	0.742	S	S	*	*			cis	-166.6	167.7	4	-135.4	-25	0	0	0	110
8	L	38.8	Very low	38.6	Very low	127 Å²	127	139.3 Å²	139.3	67%	0.665	75%	0.747	S	S	*	*			trans	70.2	156.9	144.2	-72.8	172	0	0	0	117.5
9	K	40.8	Very low	38.6	Very low	155 Å²	155	140.6 Å²	140.6	67%	0.674	75%	0.748	S	S	*	*			cis	-178.3	179.4	-6.4	174.9	-170.9	-173.9	-176	0	110.1
10	M	37.3	Very low	38.6	Very low	145 Å²	145	145.6 Å²	145.6	71%	0.714	76%	0.756	S	S	*	*			trans	105.8	138.2	150.2	-57.6	-66.4	-79.5	0	0	115.5
11	V	39.4	Very low	38.6	Very low	116 Å²	116	142.2 Å²	142.2	70%	0.703	76%	0.756	S	S	*	*			cis	-161.9	164.3	-26.9	101	0	0	0	0	109.8
12	G	39.1	Very low	38.8	Very low	64 Å²	64	137.5 Å²	137.5	66%	0.66	74%	0.742	S	S	*	*			trans	143.1	78.5	174	0	0	0	0	0	111.4
13	E	40.1	Very low	38.9	Very low	146 Å²	146	135.6 Å²	135.6	68%	0.682	74%	0.742	S	S	*	*				65.7	130.8	76.1	-66.6	-140.8	125.2	0	0	114.2
14	R	35.6	Very low	39	Very low	204 Å²	204	136.3 Å²	136.3	77%	0.77	75%	0.746	S	S	*	*			cis	-167.1	-178.9	-14	-154.5	160.5	174.9	172.2	-8.1	109.8
15	S	38.6	Very low	39	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	75%	0.746	S	S	*	*			trans	84.2	146.8	164	-51.7	0	0	0	0	117.9
16	T	38.7	Very low	38.3	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	75%	0.748	S	S	*	*			cis	-170.1	168.9	-47.1	18.2	0	0	0	0	110.8
17	S	38.4	Very low	38.4	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	76%	0.756	S	S	*	*			trans	77.9	122.9	-175.1	75.5	0	0	0	0	114.5
18	E	39	Very low	38.2	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	76%	0.759	S	S	*	*			cis	72.5	133.7	47.6	-58.9	-164.4	145.2	0	0	112.7
19	Q	39.2	Very low	38.1	Very low	164 Å²	164	139.1 Å²	139.1	77%	0.766	77%	0.768	S	S	*	*			cis	-142	175.3	27.9	-67	178.7	-9.2	0	0	115.3
20	R	38.8	Very low	37.9	Very low	240 Å²	240	142.3 Å²	142.3	91%	0.906	78%	0.776	S	S	*	*			trans	-17.4	146	158	-54	159.2	-174.4	173.5	0.6	115.9
21	G	37.4	Very low	38	Very low	74 Å²	74	141.8 Å²	141.8	76%	0.763	78%	0.783	S	S	*	*			cis	97.5	151.5	26	0	0	0	0	0	111.8
22	P	43.9	Very low	37.9	Very low	129 Å²	129	140.5 Å²	140.5	84%	0.838	78%	0.78	S	S	*	*			cis	-136.9	-173.2	2.3	44.5	-26.1	0	0	0	116.5
23	S	37.1	Very low	37.6	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	79%	0.789	S	S	*	*			trans	-10.4	139.6	162.4	-166.2	0	0	0	0	121.8
24	V	39.1	Very low	37.4	Very low	136 Å²	136	146.2 Å²	146.2	82%	0.824	80%	0.798	S	S	*	*				-172.4	136.5	117.3	143	0	0	0	0	114.2
25	L	36.1	Very low	37.2	Very low	162 Å²	162	142.1 Å²	142.1	85%	0.848	80%	0.801	S	S	*	*			trans	-11.9	129.8	157.7	-167.6	77.5	0	0	0	119.9
26	A	35.8	Very low	36.9	Very low	76 Å²	76	139.9 Å²	139.9	63%	0.628	79%	0.794	S	S	*	*				167.9	132.4	118.5	0	0	0	0	0	117.6
27	K	39	Very low	36.5	Very low	194 Å²	194	139.1 Å²	139.1	84%	0.843	79%	0.794	S	S	*	*			trans	69.7	148.3	145.2	-66.3	167.1	-175.7	173.6	0	120.1
28	P	30.4	Very low	36.2	Very low	128 Å²	128	144.2 Å²	144.2	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-86.1	134.6	-176.4	34	-34.4	0	0	0	112.8
29	I	36.8	Very low	35.8	Very low	166 Å²	166	147 Å²	147	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-97.8	117.7	176.6	-63	176.8	0	0	0	109.3
30	R	36.5	Very low	35.2	Very low	222 Å²	222	144.3 Å²	144.3	84%	0.838	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69.6	149	166.7	-67.3	-177.4	177.5	-165.6	-0.3	109.7	S32	R30-S32 PolarHBondContact O-N 2.66Å
31	P	39.5	Very low	34.7	Very low	134 Å²	134	137.1 Å²	137.1	87%	0.87	80%	0.799	S	S	*	*			trans	-62.7	109.3	159.9	27.9	-32.4	0	0	0	109
32	S	36.4	Very low	34.3	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	81%	0.805	S	S	*	*			trans	-74.8	139.7	171.7	50.6	0	0	0	0	110.3	R30 F34	R30-S32 PolarHBondContact O-N 2.66Å; S32-F34 PolarHBondContact O-N 2.64Å
33	P	33.7	Very low	33.7	Very low	130 Å²	130	138.2 Å²	138.2	84%	0.844	80%	0.804	S	S	*	*			trans	-75.5	113.5	-171.7	29.9	-34.6	0	0	0	111.8
34	F	34.8	Very low	33.3	Very low	199 Å²	199	140.1 Å²	140.1	87%	0.873	80%	0.801	S	S	*	*			trans	-87.1	114.7	164.7	-106.2	-85.9	0	0	0	110.3	S32 G36	S32-F34 PolarHBondContact O-N 2.64Å; F34-G36 PolarHBondContact O-N 3.19Å
35	S	31.9	Very low	33.1	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	81%	0.805	S	S	*	*			trans	-71.4	93.5	174.9	-173.1	0	0	0	0	110.2
36	G	32.3	Very low	32.7	Very low	57 Å²	57	141.1 Å²	141.1	59%	0.588	80%	0.795	S	S	*	*			trans	-98.5	83.5	176.2	0	0	0	0	0	111.6	F34 Y38	F34-G36 PolarHBondContact O-N 3.19Å; G36-Y38 PolarHBondContact O-N 2.74Å; G36-Y38 VanDerWaalsContact O-N 3.12Å
37	S	29.7	Very low	32.6	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	81%	0.806	S	S	*	*			trans	-71.2	103.2	175.5	-175.4	0	0	0	0	110.9
38	Y	33.1	Very low	32	Very low	214 Å²	214	142.4 Å²	142.4	84%	0.839	80%	0.799	S	S	*	*			trans	-118.9	127.2	168.3	-74.4	-79.1	0	0	0	110.1	G36	G36-Y38 PolarHBondContact O-N 2.74Å; G36-Y38 VanDerWaalsContact O-N 3.12Å
39	R	29.7	Very low	32.1	Very low	234 Å²	234	145.2 Å²	145.2	88%	0.883	80%	0.8	S	S	*	*			trans	-64.5	140.7	-173.2	-72.6	178.1	168.6	-176.1	-4	111.9	A41	R39-A41 PolarHBondContact O-N 2.89Å
40	A	26.7	Very low	31.8	Very low	109 Å²	109	144.7 Å²	144.7	90%	0.901	79%	0.794	S	S	*	*			trans	-68.1	124.8	148.2	0	0	0	0	0	109
41	A	29.5	Very low	31.5	Very low	89 Å²	89	138.8 Å²	138.8	74%	0.736	79%	0.785	S	S	*	*			trans	-151.5	143.8	167.4	0	0	0	0	0	108.3	R39	R39-A41 PolarHBondContact O-N 2.89Å
42	S	28.7	Very low	31	Very low	125 Å²	125	143 Å²	143	87%	0.874	78%	0.783	S	S	*	*			trans	-64.3	136.2	-174.9	-53.2	0	0	0	0	112.6
43	A	31.6	Very low	30.7	Very low	100 Å²	100	144 Å²	144	83%	0.826	79%	0.786	S	S	*	*			trans	-123.7	101.7	148.1	0	0	0	0	0	106.9	N45	A43-N45 PolarHBondContact O-N 3.26Å
44	E	28.6	Very low	30.5	Very low	148 Å²	148	145.5 Å²	145.5	69%	0.692	78%	0.779	S	S	*	*			trans	-60.3	132.3	167.4	-68	169	79.5	0	0	108.6	K46	E44-K46 WeakPolarHBondContact OE1-CE 3.31Å; E44-K46 IonicContact OE1-NZ 3.83Å; E44-K46 PolarHBondContact OE1-NZ 3.2Å
45	N	34.1	Very low	30.3	Very low	167 Å²	167	142.9 Å²	142.9	89%	0.893	77%	0.774	S	S	*	*			trans	-140.1	137.2	146.2	-147	-12.7	0	0	0	110.4	A43	A43-N45 PolarHBondContact O-N 3.26Å
46	K	27.8	Very low	30.2	Very low	151 Å²	151	144.4 Å²	144.4	66%	0.657	77%	0.773	S	S	*	*			trans	-100.2	104.1	-155.2	-69.1	170.5	-178.9	168.3	0	110.6	E44	E44-K46 WeakPolarHBondContact OE1-CE 3.31Å; E44-K46 IonicContact OE1-NZ 3.83Å; E44-K46 PolarHBondContact OE1-NZ 3.2Å
47	H	33.2	Very low	30	Very low	184 Å²	184	147.8 Å²	147.8	85%	0.852	78%	0.778	S	S	*	*			trans	-129.9	100	154.2	-109.7	-78.7	0	0	0	109.5	H49	H47-H49 PolarHBondContact O-N 3.44Å
48	V	27.7	Very low	30.1	Very low	114 Å²	114	148 Å²	148	69%	0.691	78%	0.776	S	S	*	*			trans	-74.9	120.3	171.7	-179.3	0	0	0	0	107.4	E50	V48-E50 HydrophobicContact CG1-CG 4.02Å
49	H	32.4	Very low	30.2	Very low	187 Å²	187	146.9 Å²	146.9	87%	0.866	78%	0.779	S	S	*	*			trans	-97.2	116	157.1	-119.5	-82.9	0	0	0	106.8	H47	H47-H49 PolarHBondContact O-N 3.44Å
50	E	30.6	Very low	30.1	Very low	155 Å²	155	141.8 Å²	141.8	72%	0.724	77%	0.774	S	S	*	*			trans	-71.8	148.7	-169.9	-65.1	-152.4	135.5	0	0	112.9	V48	V48-E50 HydrophobicContact CG1-CG 4.02Å
51	P	28.9	Very low	30.3	Very low	97 Å²	97	144.7 Å²	144.7	63%	0.63	77%	0.773	S	S	*	*			trans	-65.9	139.7	162.6	30.4	-33.4	0	0	0	109.4	V53	P51-V53 VanDerWaalsContact C-N 3.32Å; P51-V53 HydrophobicContact CB-CG2 4.47Å; P51-V53 HydrophobicContact CG-CG2 4.22Å; P51-V53 PolarHBondContact O-N 2.92Å
52	W	29.3	Very low	30.4	Very low	222 Å²	222	147.8 Å²	147.8	84%	0.841	78%	0.777	S	S	*	*			trans	-68.9	86.3	175.6	-81.8	74.4	0	0	0	111.3	F54	W52-F54 HydrophobicContact CE3-CE1 4.39Å; W52-F54 AromaticContact CE3-CE2 3.88Å; W52-F54 HydrophobicContact CE3-CE2 3.88Å; W52-F54 AromaticContact CE3-CZ 3.64Å; W52-F54 HydrophobicContact CE3-CZ 3.64Å; W52-F54 HydrophobicContact CZ3-CE1 4.37Å; W52-F54 HydrophobicContact CZ3-CE2 4.48Å; W52-F54 AromaticContact CZ3-CZ 3.8Å; W52-F54 HydrophobicContact CZ3-CZ 3.8Å
53	V	29.4	Very low	30.7	Very low	113 Å²	113	149.3 Å²	149.3	69%	0.685	78%	0.776	S	S	*	*			trans	-96.6	105.5	171.8	179.4	0	0	0	0	108.5	P51 N55	P51-V53 VanDerWaalsContact C-N 3.32Å; P51-V53 HydrophobicContact CB-CG2 4.47Å; P51-V53 HydrophobicContact CG-CG2 4.22Å; P51-V53 PolarHBondContact O-N 2.92Å; V53-N55 VanDerWaalsContact C-N 3.34Å; V53-N55 PolarHBondContact O-N 2.88Å
54	F	31.1	Very low	30.6	Very low	160 Å²	160	149.7 Å²	149.7	70%	0.702	77%	0.772	S	S	*	*			trans	-72.6	88	172.7	-78.7	-79.7	0	0	0	110.5	W52 N56	W52-F54 HydrophobicContact CE3-CE1 4.39Å; W52-F54 AromaticContact CE3-CE2 3.88Å; W52-F54 HydrophobicContact CE3-CE2 3.88Å; W52-F54 AromaticContact CE3-CZ 3.64Å; W52-F54 HydrophobicContact CE3-CZ 3.64Å; W52-F54 HydrophobicContact CZ3-CE1 4.37Å; W52-F54 HydrophobicContact CZ3-CE2 4.48Å; W52-F54 AromaticContact CZ3-CZ 3.8Å; W52-F54 HydrophobicContact CZ3-CZ 3.8Å; F54-N56 PolarHBondContact O-N 3.4Å
55	N	30.8	Very low	31	Very low	145 Å²	145	148.7 Å²	148.7	78%	0.775	78%	0.782	S	S	*	*			trans	-79.6	102.8	177.3	-169.3	14.3	0	0	0	110.6	V53 N57	V53-N55 VanDerWaalsContact C-N 3.34Å; V53-N55 PolarHBondContact O-N 2.88Å; N55-N57 PolarHBondContact O-N 3.3Å
56	N	28.2	Very low	31.2	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	78%	0.776	S	S	*	*			trans	-80.7	98.9	-178.7	-71.7	-44.3	0	0	0	111.6	F54	F54-N56 PolarHBondContact O-N 3.4Å
57	N	30	Very low	31.6	Very low	128 Å²	128	149.2 Å²	149.2	68%	0.684	78%	0.783	S	S	*	*			trans	-154.5	112.2	164.1	-152.3	-8.8	0	0	0	113	N55	N55-N57 PolarHBondContact O-N 3.3Å
58	P	31.1	Very low	31.9	Very low	114 Å²	114	147.3 Å²	147.3	74%	0.74	77%	0.774	S	S	*	*			trans	-85.8	114.3	178.1	32.4	-31	0	0	0	111.4
59	Q	34.3	Very low	32.3	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	78%	0.777	S	S	*	*			trans	-88.4	123.6	166.1	-72.7	-145.4	-19.1	0	0	111.3
60	V	29	Very low	32.5	Very low	128 Å²	128	149.5 Å²	149.5	78%	0.776	77%	0.773	S	S	*	*			trans	-89.3	126.5	177.8	176.8	0	0	0	0	109.5
61	L	30	Very low	32.7	Very low	169 Å²	169	146.5 Å²	146.5	89%	0.885	78%	0.775	S	S	*	*			trans	-147.7	104.1	162.5	-144.7	95.3	0	0	0	109.5
62	D	31.5	Very low	33.1	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	79%	0.785	S	S	*	*			trans	-133.1	132.4	179.7	-138.1	-19.5	0	0	0	110
63	N	35	Very low	33.2	Very low	158 Å²	158	150.9 Å²	150.9	85%	0.845	79%	0.786	S	S	*	*			trans	-91.6	128.8	-168.3	-92.8	-42.3	0	0	0	112
64	S	29.7	Very low	33.4	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	79%	0.786	S	S	*	*			trans	-71.7	137.1	177.1	-76.6	0	0	0	0	113.2
65	S	37.8	Very low	33.3	Very low	128 Å²	128	147.4 Å²	147.4	90%	0.895	79%	0.787	S	S	*	*			trans	-149.3	150.3	138.8	-88.1	0	0	0	0	111
66	K	36.7	Very low	33.3	Very low	181 Å²	181	148.6 Å²	148.6	79%	0.787	79%	0.792	S	S	*	*			trans	-112	162.2	-162.9	-61.9	172.1	-178.4	172.3	0	111.7
67	N	37.6	Very low	33.3	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	79%	0.789	S	S	*	*			trans	121.3	146.9	150.6	-63.1	-28.7	0	0	0	114.3
68	H	38.8	Very low	33.2	Very low	145 Å²	145	144.1 Å²	144.1	67%	0.671	79%	0.788	S	S	*	*			cis	-171.5	140.3	-38.9	-132.5	-35.7	0	0	0	108.4
69	R	36.9	Very low	33	Very low	200 Å²	200	146.3 Å²	146.3	76%	0.755	79%	0.793	S	S	*	*			trans	80.5	126	153.6	-61.2	175.6	-171.8	-176.5	0.1	120.9
70	N	35.6	Very low	32.5	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	79%	0.785	S	S	*	*			trans	84.6	90.4	132.2	-68.2	17.3	0	0	0	122.5
71	A	34.9	Very low	32.4	Very low	92 Å²	92	141 Å²	141	76%	0.76	78%	0.782	S	S	*	*				99	143.5	95.7	0	0	0	0	0	121.5
72	Q	37.7	Very low	32.3	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	78%	0.781	S	S	*	*			trans	73.8	85.7	157.8	-72.8	-172.1	-30.4	0	0	121.6
73	R	30.9	Very low	32.1	Very low	230 Å²	230	136.6 Å²	136.6	87%	0.868	78%	0.777	S	S	*	*				86.8	149.1	108.9	-154.7	178.3	-166.4	-160.5	2.8	118.6
74	S	33.6	Very low	31.9	Very low	98 Å²	98	134 Å²	134	69%	0.685	78%	0.778	S	S	*	*			trans	87.9	88.7	167.9	-25.7	0	0	0	0	117.5
75	S	30.3	Very low	31.8	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	78%	0.782	S	S	*	*				62.9	128.2	126.3	63.9	0	0	0	0	122.3
76	I	29.7	Very low	31.4	Very low	170 Å²	170	135.8 Å²	135.8	87%	0.872	78%	0.777	S	S	*	*			trans	55.4	84.9	153.9	58.6	170.1	0	0	0	119.5
77	A	27.9	Very low	31	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	78%	0.776	S	S	*	*			trans	-155.5	145.2	142.3	0	0	0	0	0	113
78	S	28.2	Very low	30.5	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	77%	0.772	S	S	*	*			trans	46.1	123.3	138.2	66	0	0	0	0	122.9
79	L	26.4	Very low	30.2	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	79%	0.785	S	S	*	*				71.8	151.2	128	-63.1	170.5	0	0	0	121.2
80	S	25	Very low	29.7	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	79%	0.787	S	S	*	*			trans	81.9	156.7	157	-56.1	0	0	0	0	119.4
81	S	26.3	Very low	29.4	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	79%	0.788	S	S	*	*			trans	76.1	99.3	160.6	-57.5	0	0	0	0	118.7
82	S	27.5	Very low	29.1	Very low	123 Å²	123	141.2 Å²	141.2	86%	0.86	79%	0.79	S	S	*	*				39	107.6	114.3	-48.8	0	0	0	0	117.5
83	S	28.4	Very low	28.6	Very low	108 Å²	108	137 Å²	137	76%	0.755	79%	0.794	S	S	*	*			trans	-137.4	89.6	165.8	-73.4	0	0	0	0	110.1	L85	S83-L85 PolarHBondContact O-N 3.32Å
84	A	29.9	Very low	28.6	Very low	103 Å²	103	129.3 Å²	129.3	85%	0.851	79%	0.787	S	S	*	*			trans	-77.5	112.5	170.2	0	0	0	0	0	109.5
85	L	28.6	Very low	29	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	78%	0.775	S	S	*	*			trans	-151.4	151.5	174	-63	174.3	0	0	0	106	S83	S83-L85 PolarHBondContact O-N 3.32Å
86	S	28.5	Very low	29.3	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	77%	0.767	S	S	*	*			cis	-162.1	165	-24.9	-179.6	0	0	0	0	105.1
87	I	29.2	Very low	30.1	Very low	150 Å²	150	126.6 Å²	126.6	77%	0.769	76%	0.756	S	S	*	*			trans	-79	162.7	177.5	-66.3	169.7	0	0	0	110.7
88	D	27.1	Very low	30.8	Very low	131 Å²	131	129.7 Å²	129.7	70%	0.701	75%	0.753	S	S	*	*			trans	77.5	83.3	173.7	-70.4	-52	0	0	0	118.5
89	E	31.9	Very low	31.5	Very low	203 Å²	203	127.2 Å²	127.2	95%	0.949	74%	0.735	S	S	*	*			trans	-121.1	117.9	138.3	-75.8	-163.1	143.2	0	0	110.2
90	R	25.7	Very low	32.3	Very low	210 Å²	210	123.9 Å²	123.9	79%	0.792	71%	0.714	S	S	*	*			trans	-93	162	161.2	-62.5	-178.1	-176	-171.6	0.5	108.8
91	F	29.2	Very low	33.4	Very low	185 Å²	185	123.5 Å²	123.5	81%	0.811	70%	0.701	S	S	*	*			trans	99.5	121.4	167.9	-69.7	-86.4	0	0	0	118.7
92	N	28.1	Very low	34.2	Very low	148 Å²	148	125.5 Å²	125.5	79%	0.791	70%	0.697	S	S	*	*			trans	55.3	111.2	139.7	-61.8	6.3	0	0	0	120.8
93	G	28.4	Very low	35.2	Very low	91 Å²	91	123.6 Å²	123.6	94%	0.938	67%	0.672	S	S	*	*				77.6	46.3	123	0	0	0	0	0	117.2
94	G	30.3	Very low	36	Very low	69 Å²	69	120 Å²	120	71%	0.711	65%	0.648	S	S	*	*			trans	-166	115.4	168.4	0	0	0	0	0	112.6	N96	G94-N96 PolarHBondContact O-N 2.78Å; G94-N96 VanDerWaalsContact O-N 3.11Å
95	L	42.8	Very low	36.8	Very low	85 Å²	85	120.9 Å²	120.9	45%	0.445	63%	0.634	S	S	.	*			trans	-67.5	108	169.6	-77.3	166.5	0	0	0	108.9	I97 G130	L95-I97 PolarHBondContact O-N 2.97Å; L95-G130 VanDerWaalsContact CD1-O 3.26Å; L95-G130 WeakPolarHBondContact CD1-O 3.02Å
96	N	36.8	Very low	37.9	Very low	102 Å²	102	118.8 Å²	118.8	55%	0.545	62%	0.622	S	S	.	*			trans	-71.2	118.7	179.9	-171.3	-31.3	0	0	0	109.8	G94 K98 S99	G94-N96 PolarHBondContact O-N 2.78Å; G94-N96 VanDerWaalsContact O-N 3.11Å; N96-K98 PolarHBondContact O-N 3.24Å; N96-K98 WeakPolarHBondContact OD1-CB 3.44Å; N96-K98 WeakPolarHBondContact OD1-CG 3.43Å; N96-K98 PolarHBondContact OD1-N 2.69Å; N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 PolarHBondContact O-OG 3.25Å
97	I	46.5	Very low	39.6	Very low	126 Å²	126	114.9 Å²	114.9	65%	0.646	60%	0.599	S	S	*	*	H	α-helix	trans	-51.8	-26.9	-176	-64.1	166	0	0	0	112.6	L95 S99 F100 E101	L95-I97 PolarHBondContact O-N 2.97Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 2.7Å; I97-F100 VanDerWaalsContact O-CB 3.3Å; I97-F100 WeakPolarHBondContact O-CB 3.08Å; I97-F100 PolarHBondContact O-N 3.47Å; I97-E101 PolarHBondContact O-N 2.97Å
98	K	41.4	Very low	41.9	Very low	156 Å²	156	111.8 Å²	111.8	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-65.6	-19.4	177.1	-61.1	179.5	-179.5	-177.4	0	114.9	N96	N96-K98 PolarHBondContact O-N 3.24Å; N96-K98 WeakPolarHBondContact OD1-CB 3.44Å; N96-K98 WeakPolarHBondContact OD1-CG 3.43Å; N96-K98 PolarHBondContact OD1-N 2.69Å
99	S	42.8	Very low	44.7	Very low	42 Å²	42	106.9 Å²	106.9	29%	0.294	56%	0.557	S	S	.	*	H	α-helix	trans	-86.7	-25	170.4	62.7	0	0	0	0	112.7	N96 I97 Y103	N96-S99 PolarHBondContact O-N 3.1Å; N96-S99 PolarHBondContact O-OG 3.25Å; I97-S99 VanDerWaalsContact C-N 3.26Å; I97-S99 PolarHBondContact O-N 2.7Å; S99-Y103 WeakPolarHBondContact O-CD2 3.13Å
100	F	44.7	Very low	47.5	Very low	90 Å²	90	98 Å²	98	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-53.1	172.7	178.9	-84.7	0	0	0	110.2	I97 K102 Y103 A104 I112 I132	I97-F100 VanDerWaalsContact O-CB 3.3Å; I97-F100 WeakPolarHBondContact O-CB 3.08Å; I97-F100 PolarHBondContact O-N 3.47Å; F100-K102 VanDerWaalsContact C-N 3.34Å; F100-K102 PolarHBondContact O-N 3.11Å; F100-Y103 PolarHBondContact O-N 2.81Å; F100-A104 HydrophobicContact CD1-CB 4.26Å; F100-A104 HydrophobicContact CE1-CB 4.07Å; F100-A104 HydrophobicContact CZ-CB 4.46Å; F100-A104 WeakPolarHBondContact O-CB 3.13Å; F100-A104 PolarHBondContact O-N 2.99Å; F100-I112 HydrophobicContact CE2-CD1 4.4Å; F100-I132 HydrophobicContact CB-CD1 4.21Å; F100-I132 HydrophobicContact CD2-CD1 3.67Å; F100-I132 HydrophobicContact CD2-CG1 4.43Å; F100-I132 HydrophobicContact CG-CD1 4.31Å
101	E	46.9	Very low	50.7	Low	98 Å²	98	88 Å²	88	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-51.1	-51.7	177	-65.1	170.5	142.2	0	0	111.5	I97 Y103 A104 H105	I97-E101 PolarHBondContact O-N 2.97Å; E101-Y103 VanDerWaalsContact C-N 3.26Å; E101-Y103 PolarHBondContact O-N 3.32Å; E101-Y103 VanDerWaalsContact O-N 3.14Å; E101-A104 PolarHBondContact O-N 3.13Å; E101-H105 PolarHBondContact O-CD2 3.4Å; E101-H105 PolarHBondContact O-N 3.36Å
102	K	44.2	Very low	53.8	Low	143 Å²	143	80.4 Å²	80.4	62%	0.622	45%	0.445	S	S	*	.	H	α-helix	trans	-59.1	-31.5	-173.4	-168.2	-179.3	178.6	-170.4	0	114.3	F100	F100-K102 VanDerWaalsContact C-N 3.34Å; F100-K102 PolarHBondContact O-N 3.11Å
103	Y	47.3	Very low	56.9	Low	83 Å²	83	73.4 Å²	73.4	33%	0.325	41%	0.408	S	S	.	.	H	α-helix	trans	-102.1	-31.3	-179.6	-60.2	-61.7	0	0	0	113.1	S99 F100 E101 H105 M106 I149	S99-Y103 WeakPolarHBondContact O-CD2 3.13Å; F100-Y103 PolarHBondContact O-N 2.81Å; E101-Y103 VanDerWaalsContact C-N 3.26Å; E101-Y103 PolarHBondContact O-N 3.32Å; E101-Y103 VanDerWaalsContact O-N 3.14Å; Y103-H105 PolarHBondContact O-N 2.98Å; Y103-M106 PolarHBondContact O-N 2.95Å; Y103-I149 HydrophobicContact CD1-CD1 4.36Å; Y103-I149 HydrophobicContact CD2-CD1 3.91Å; Y103-I149 HydrophobicContact CD2-CG1 4.37Å; Y103-I149 HydrophobicContact CD2-CG2 3.8Å; Y103-I149 HydrophobicContact CE2-CD1 4.14Å; Y103-I149 HydrophobicContact CE2-CG2 3.77Å; Y103-I149 HydrophobicContact CG-CD1 4.04Å
104	A	46.7	Very low	59.9	Low	32 Å²	32	72.3 Å²	72.3	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-39.5	177.4	0	0	0	0	0	112.6	F100 E101 M106	F100-A104 HydrophobicContact CD1-CB 4.26Å; F100-A104 HydrophobicContact CE1-CB 4.07Å; F100-A104 HydrophobicContact CZ-CB 4.46Å; F100-A104 WeakPolarHBondContact O-CB 3.13Å; F100-A104 PolarHBondContact O-N 2.99Å; E101-A104 PolarHBondContact O-N 3.13Å; A104-M106 PolarHBondContact O-N 3.11Å
105	H	46.7	Very low	62.8	Low	121 Å²	121	75.7 Å²	75.7	56%	0.56	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.2	-178.3	-65.4	-51.3	0	0	0	115.3	E101 Y103	E101-H105 PolarHBondContact O-CD2 3.4Å; E101-H105 PolarHBondContact O-N 3.36Å; Y103-H105 PolarHBondContact O-N 2.98Å
106	M	50.3	Low	65.2	Low	117 Å²	117	75.1 Å²	75.1	58%	0.576	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3.4	-177.8	-64.6	-160.2	70.8	0	0	114.8	Y103 A104 Q108	Y103-M106 PolarHBondContact O-N 2.95Å; A104-M106 PolarHBondContact O-N 3.11Å; M106-Q108 HydrophobicContact CB-CG 4.07Å; M106-Q108 PolarHBondContact O-N 2.77Å
107	G	63.9	Low	67.9	Low	30 Å²	30	70.5 Å²	70.5	31%	0.309	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	12.6	-178.8	0	0	0	0	0	114.4
108	Q	78	Confident	70.1	Confident	86 Å²	86	71.1 Å²	71.1	40%	0.402	35%	0.345	S	S	.	.			trans	-77.5	141	-174.2	-71.2	-178.7	-8	0	0	111.8	M106 H110 M134	M106-Q108 HydrophobicContact CB-CG 4.07Å; M106-Q108 PolarHBondContact O-N 2.77Å; Q108-H110 PolarHBondContact O-N 3.14Å; Q108-H110 PolarHBondContact O-ND1 3.11Å; Q108-M134 HydrophobicContact CB-CE 3.43Å; Q108-M134 VanDerWaalsContact CB-CE 3.43Å
109	P	85.5	Confident	72.1	Confident	28 Å²	28	65.9 Å²	65.9	18%	0.182	33%	0.327	C	S	.	.			trans	-51.2	122.1	174.6	-32.4	38.9	0	0	0	113.4	L135 I166 P167 L168	P109-L135 HydrophobicContact CB-CB 3.99Å; P109-L135 HydrophobicContact CB-CD1 4.33Å; P109-L135 PolarHBondContact O-N 2.86Å; P109-I166 CarbonylContact C-O 3.56Å; P109-I166 VanDerWaalsContact CA-O 3.27Å; P109-I166 WeakPolarHBondContact CA-O 3.39Å; P109-I166 HydrophobicContact CG-CG2 4.44Å; P109-P167 WeakPolarHBondContact CG-O 3.25Å; P109-L168 HydrophobicContact CB-CD2 3.82Å; P109-L168 HydrophobicContact CB-CG 4.1Å; P109-L168 HydrophobicContact CG-CD2 4.1Å
110	H	92.1	Very high	74.1	Confident	15 Å²	15	67.4 Å²	67.4	7%	0.069	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	161	-177.2	71.7	-85.6	0	0	0	113.1	Q108 I132 I133 M134 R165 I166	Q108-H110 PolarHBondContact O-N 3.14Å; Q108-H110 PolarHBondContact O-ND1 3.11Å; H110-I132 HydrophobicContact CB-CG2 4.41Å; H110-I133 CarbonylContact C-O 3.52Å; H110-I133 VanDerWaalsContact CA-O 3.28Å; H110-I133 WeakPolarHBondContact CA-O 3.48Å; H110-I133 WeakPolarHBondContact CB-O 3.38Å; H110-M134 HydrophobicContact CB-CE 3.94Å; H110-M134 HydrophobicContact CB-SD 3.83Å; H110-R165 WeakPolarHBondContact NE2-CB 3.39Å; H110-R165 PolarHBondContact O-N 2.92Å; H110-I166 PolarHBondContact N-O 2.83Å; H110-I166 PolarHBondContact O-N 3.42Å; H110-I166 VanDerWaalsContact O-N 3.07Å
111	V	93.1	Very high	76.1	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	161	178.2	-48.2	0	0	0	0	110.6	I133 L135 F157 V162 E163 V164	V111-I133 HydrophobicContact CG2-CB 3.75Å; V111-I133 HydrophobicContact CG2-CD1 4.29Å; V111-I133 HydrophobicContact CG2-CG2 4.37Å; V111-I133 PolarHBondContact N-O 3.17Å; V111-I133 PolarHBondContact O-N 3.36Å; V111-L135 HydrophobicContact CG1-CD1 3.76Å; V111-L135 HydrophobicContact CG1-CD2 3.74Å; V111-L135 HydrophobicContact CG1-CG 3.78Å; V111-F157 HydrophobicContact CG2-CE2 3.99Å; V111-F157 HydrophobicContact CG2-CZ 4.01Å; V111-V162 HydrophobicContact CB-CB 3.92Å; V111-V162 HydrophobicContact CB-CG2 3.99Å; V111-V162 HydrophobicContact CG1-CG2 4.2Å; V111-V162 HydrophobicContact CG2-CB 3.74Å; V111-V162 HydrophobicContact CG2-CG1 3.8Å; V111-V162 HydrophobicContact CG2-CG2 3.93Å; V111-E163 CarbonylContact C-O 3.48Å; V111-E163 WeakPolarHBondContact CA-O 3.31Å; V111-E163 WeakPolarHBondContact CB-O 3.47Å; V111-V164 HydrophobicContact CG1-CB 4.24Å; V111-V164 HydrophobicContact CG1-CG1 4.39Å; V111-V164 HydrophobicContact CG1-CG2 3.82Å
112	I	93.1	Very high	77.9	Confident	26 Å²	26	65.9 Å²	65.9	13%	0.133	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134	172.4	-59.5	178.4	0	0	0	108.9	F100 L114 D131 V162 E163 R165	F100-I112 HydrophobicContact CE2-CD1 4.4Å; I112-L114 PolarHBondContact O-N 2.85Å; I112-D131 WeakPolarHBondContact CA-O 3.22Å; I112-V162 CarbonylContact O-C 3.56Å; I112-V162 VanDerWaalsContact O-CA 3.31Å; I112-V162 WeakPolarHBondContact O-CA 3.3Å; I112-E163 PolarHBondContact N-O 3.05Å; I112-E163 PolarHBondContact O-N 2.71Å; I112-R165 HydrophobicContact CD1-CG 3.83Å; I112-R165 HydrophobicContact CG1-CG 3.91Å
113	A	93.8	Very high	80	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.017	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.2	177.2	0	0	0	0	0	112.6	F127 E128 G130 D131	A113-F127 HydrophobicContact CB-CD2 3.4Å; A113-F127 HydrophobicContact CB-CE2 3.69Å; A113-F127 HydrophobicContact CB-CG 4.33Å; A113-E128 WeakPolarHBondContact CB-O 3.25Å; A113-G130 PolarHBondContact O-N 3.36Å; A113-D131 HydrophobicContact CB-CB 4.15Å; A113-D131 PolarHBondContact N-O 3.01Å
114	L	91.8	Very high	82.2	Confident	67 Å²	67	56.6 Å²	56.6	35%	0.351	32%	0.315	S	S	.	.	S	Bend	trans	-88.7	-26.4	175.2	-70	175.4	0	0	0	112.7	I112 H161 E163	I112-L114 PolarHBondContact O-N 2.85Å; L114-H161 PolarHBondContact N-O 2.9Å; L114-E163 HydrophobicContact CD1-CB 4.08Å; L114-E163 HydrophobicContact CD2-CB 4.01Å; L114-E163 HydrophobicContact CG-CB 3.97Å
115	Y	91.5	Very high	84.5	Confident	140 Å²	140	55.1 Å²	55.1	55%	0.549	30%	0.303	S	S	.	.	S	Bend	trans	-137.7	155.7	-179.9	-55.4	-72.2	0	0	0	109	F127 H161	Y115-F127 WeakPolarHBondContact O-CE2 3.2Å; Y115-H161 PolarHBondContact N-O 2.68Å
116	N	92.8	Very high	86.8	Confident	73 Å²	73	53.7 Å²	53.7	39%	0.39	30%	0.296	S	S	.	.			trans	-60.7	144.3	163.7	-78	28.6	0	0	0	109.3	E118 F127 E128 V129	N116-E118 PolarHBondContact ND2-OE1 3.35Å; N116-F127 WeakPolarHBondContact CA-O 3.29Å; N116-E128 WeakPolarHBondContact OD1-CA 3.43Å; N116-V129 PolarHBondContact OD1-N 3.09Å
117	F	93.2	Very high	88.9	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.026	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-131.9	106	171.4	-175.9	-114.9	0	0	0	108.3	T119 D124 L125 E126 F127 W143 F157 P158 H161 L238	F117-T119 HydrophobicContact CD1-CG2 4.38Å; F117-T119 HydrophobicContact CD2-CG2 4.21Å; F117-T119 HydrophobicContact CE1-CG2 3.81Å; F117-T119 HydrophobicContact CE2-CG2 3.59Å; F117-T119 HydrophobicContact CZ-CG2 3.35Å; F117-D124 HydrophobicContact CE1-CB 4.22Å; F117-L125 VanDerWaalsContact CD1-O 3.3Å; F117-L125 WeakPolarHBondContact CD1-O 3.49Å; F117-E126 VanDerWaalsContact O-CA 3.26Å; F117-E126 WeakPolarHBondContact O-CA 3.41Å; F117-F127 HydrophobicContact CB-CD1 4.21Å; F117-F127 HydrophobicContact CB-CD2 3.94Å; F117-F127 HydrophobicContact CB-CE1 3.8Å; F117-F127 HydrophobicContact CB-CE2 3.5Å; F117-F127 HydrophobicContact CB-CG 4.29Å; F117-F127 HydrophobicContact CB-CZ 3.43Å; F117-F127 VanDerWaalsContact CB-CZ 3.43Å; F117-F127 HydrophobicContact CD1-CD1 4.38Å; F117-F127 AromaticContact CD1-CE1 3.79Å; F117-F127 HydrophobicContact CD1-CE1 3.79Å; F117-F127 HydrophobicContact CD1-CZ 4.1Å; F117-F127 HydrophobicContact CG-CE1 4.17Å; F117-F127 HydrophobicContact CG-CZ 4.03Å; F117-F127 PolarHBondContact N-O 2.9Å; F117-F127 PolarHBondContact O-N 2.55Å; F117-F127 VanDerWaalsContact O-N 3.09Å; F117-W143 HydrophobicContact CZ-CH2 4.07Å; F117-W143 AromaticContact CZ-CZ3 3.98Å; F117-W143 HydrophobicContact CZ-CZ3 3.98Å; F117-F157 HydrophobicContact CD1-CB 4.05Å; F117-F157 HydrophobicContact CE1-CB 3.95Å; F117-P158 HydrophobicContact CD2-CG 4.01Å; F117-P158 VanDerWaalsContact CE2-CD 3.48Å; F117-P158 HydrophobicContact CE2-CG 3.64Å; F117-P158 HydrophobicContact CZ-CG 3.99Å; F117-H161 AromaticContact CD2-CD2 3.73Å; F117-H161 AromaticContact CD2-NE2 3.97Å; F117-L238 HydrophobicContact CE2-CD2 4.05Å
118	E	91.4	Very high	90.3	Very high	138 Å²	138	51.2 Å²	51.2	65%	0.645	28%	0.275	S	S	*	.			trans	-127.3	129.2	-175.8	-65.8	163	-137.3	0	0	106.5	N116	N116-E118 PolarHBondContact ND2-OE1 3.35Å
119	T	85.2	Confident	90.9	Very high	47 Å²	47	51.4 Å²	51.4	29%	0.288	28%	0.282	S	S	.	.			trans	-141.1	-31	-172.5	66.2	0	0	0	0	114.3	F117 V121 E126	F117-T119 HydrophobicContact CD1-CG2 4.38Å; F117-T119 HydrophobicContact CD2-CG2 4.21Å; F117-T119 HydrophobicContact CE1-CG2 3.81Å; F117-T119 HydrophobicContact CE2-CG2 3.59Å; F117-T119 HydrophobicContact CZ-CG2 3.35Å; T119-V121 PolarHBondContact O-N 2.6Å; T119-V121 PolarHBondContact OG1-N 3.26Å; T119-V121 VanDerWaalsContact OG1-N 3.12Å; T119-E126 PolarHBondContact N-OE1 3.35Å
120	G	83.1	Confident	91.1	Very high	73 Å²	73	51.4 Å²	51.4	75%	0.753	29%	0.287	S	S	*	.			trans	62.5	13.7	-167	0	0	0	0	0	114.5	E126	G120-E126 PolarHBondContact N-OE1 3.16Å
121	V	86.9	Confident	91	Very high	61 Å²	61	50.8 Å²	50.8	37%	0.37	28%	0.284	S	S	.	.			trans	-96.2	121.6	-174.3	-176.4	0	0	0	0	111.1	T119 G123 D124	T119-V121 PolarHBondContact O-N 2.6Å; T119-V121 PolarHBondContact OG1-N 3.26Å; T119-V121 VanDerWaalsContact OG1-N 3.12Å; V121-G123 PolarHBondContact O-N 2.89Å; V121-G123 VanDerWaalsContact O-N 3.13Å; V121-D124 HydrophobicContact CB-CB 4.46Å; V121-D124 PolarHBondContact O-N 3.02Å
122	D	85.7	Confident	91	Very high	96 Å²	96	51.6 Å²	51.6	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	117.3	-179.2	-130.9	-19.3	0	0	0	111.9	R241 V247 K251	D122-R241 PolarHBondContact O-NH2 3.12Å; D122-V247 HydrophobicContact CB-CG1 4.12Å; D122-V247 HydrophobicContact CB-CG2 4.47Å; D122-V247 WeakPolarHBondContact O-CG2 3.2Å; D122-K251 VanDerWaalsContact CG-NZ 3.29Å; D122-K251 VanDerWaalsContact OD1-CE 3.22Å; D122-K251 WeakPolarHBondContact OD1-CE 3.46Å; D122-K251 IonicContact OD1-NZ 2.94Å; D122-K251 PolarHBondContact OD1-NZ 3.24Å; D122-K251 IonicContact OD2-NZ 3.83Å; D122-K251 PolarHBondContact OD2-NZ 3.02Å
123	G	88	Confident	91	Very high	10 Å²	10	50.4 Å²	50.4	10%	0.103	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-7.2	-176.7	0	0	0	0	0	116.2	V121 G155 I156 L250	V121-G123 PolarHBondContact O-N 2.89Å; V121-G123 VanDerWaalsContact O-N 3.13Å; G123-G155 CarbonylContact O-C 3.55Å; G123-G155 VanDerWaalsContact O-CA 3.22Å; G123-G155 WeakPolarHBondContact O-CA 3.45Å; G123-I156 WeakPolarHBondContact O-CG1 3.36Å; G123-I156 PolarHBondContact O-N 3.43Å; G123-L250 WeakPolarHBondContact O-CD1 3.45Å
124	D	93.9	Very high	91	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.112	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-84.4	147.3	169.6	-69.3	4.3	0	0	0	110.3	F117 V121 I156 R241	F117-D124 HydrophobicContact CE1-CB 4.22Å; V121-D124 HydrophobicContact CB-CB 4.46Å; V121-D124 PolarHBondContact O-N 3.02Å; D124-I156 CarbonylContact C-O 3.51Å; D124-I156 VanDerWaalsContact CA-O 3.26Å; D124-I156 WeakPolarHBondContact CA-O 3.37Å; D124-I156 WeakPolarHBondContact OD1-CD1 3.43Å; D124-I156 WeakPolarHBondContact OD1-CG1 3.29Å; D124-R241 IonicContact OD1-CZ 3.27Å; D124-R241 IonicContact OD1-NE 2.85Å; D124-R241 PolarHBondContact OD1-NE 2.88Å; D124-R241 IonicContact OD1-NH2 2.67Å; D124-R241 PolarHBondContact OD1-NH2 3.04Å; D124-R241 IonicContact OD2-NE 3.46Å; D124-R241 PolarHBondContact OD2-NE 2.9Å
125	L	94.7	Very high	91.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.273	C	S	.	.			trans	-95.2	111.6	-179.9	179.3	67.4	0	0	0	110.3	F117 F127 I133 A153 I156 F157	F117-L125 VanDerWaalsContact CD1-O 3.3Å; F117-L125 WeakPolarHBondContact CD1-O 3.49Å; L125-F127 HydrophobicContact CG-CD1 4.32Å; L125-F127 WeakPolarHBondContact O-CD1 3.23Å; L125-F127 WeakPolarHBondContact O-CE1 3.33Å; L125-I133 HydrophobicContact CD2-CD1 4.21Å; L125-I133 HydrophobicContact CD2-CG1 4.2Å; L125-I133 HydrophobicContact CD2-CG2 3.54Å; L125-A153 HydrophobicContact CD1-CB 3.9Å; L125-A153 VanDerWaalsContact CD1-O 3.28Å; L125-A153 WeakPolarHBondContact CD1-O 3.31Å; L125-I156 PolarHBondContact N-O 2.93Å; L125-F157 HydrophobicContact CB-CD1 4.1Å; L125-F157 HydrophobicContact CD2-CD1 3.85Å; L125-F157 HydrophobicContact CD2-CE1 4Å
126	E	93.9	Very high	91	Very high	90 Å²	90	45.4 Å²	45.4	42%	0.421	26%	0.262	S	S	.	.			trans	-83.8	139.6	178.3	-56	-168.5	133	0	0	112.6	F117 T119 G120	F117-E126 VanDerWaalsContact O-CA 3.26Å; F117-E126 WeakPolarHBondContact O-CA 3.41Å; T119-E126 PolarHBondContact N-OE1 3.35Å; G120-E126 PolarHBondContact N-OE1 3.16Å
127	F	94.7	Very high	90.8	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-157.5	163.2	-176.9	54.4	-102.1	0	0	0	114	A113 Y115 N116 F117 L125 D131 I133 F157 H161 V162	A113-F127 HydrophobicContact CB-CD2 3.4Å; A113-F127 HydrophobicContact CB-CE2 3.69Å; A113-F127 HydrophobicContact CB-CG 4.33Å; Y115-F127 WeakPolarHBondContact O-CE2 3.2Å; N116-F127 WeakPolarHBondContact CA-O 3.29Å; F117-F127 HydrophobicContact CB-CD1 4.21Å; F117-F127 HydrophobicContact CB-CD2 3.94Å; F117-F127 HydrophobicContact CB-CE1 3.8Å; F117-F127 HydrophobicContact CB-CE2 3.5Å; F117-F127 HydrophobicContact CB-CG 4.29Å; F117-F127 HydrophobicContact CB-CZ 3.43Å; F117-F127 VanDerWaalsContact CB-CZ 3.43Å; F117-F127 HydrophobicContact CD1-CD1 4.38Å; F117-F127 AromaticContact CD1-CE1 3.79Å; F117-F127 HydrophobicContact CD1-CE1 3.79Å; F117-F127 HydrophobicContact CD1-CZ 4.1Å; F117-F127 HydrophobicContact CG-CE1 4.17Å; F117-F127 HydrophobicContact CG-CZ 4.03Å; F117-F127 PolarHBondContact N-O 2.9Å; F117-F127 PolarHBondContact O-N 2.55Å; F117-F127 VanDerWaalsContact O-N 3.09Å; L125-F127 HydrophobicContact CG-CD1 4.32Å; L125-F127 WeakPolarHBondContact O-CD1 3.23Å; L125-F127 WeakPolarHBondContact O-CE1 3.33Å; F127-D131 WeakPolarHBondContact CA-OD2 3.33Å; F127-D131 HydrophobicContact CB-CB 3.99Å; F127-D131 WeakPolarHBondContact CB-OD2 3.12Å; F127-I133 HydrophobicContact CB-CD1 4.21Å; F127-I133 HydrophobicContact CD1-CD1 3.36Å; F127-I133 HydrophobicContact CD2-CD1 4.21Å; F127-I133 HydrophobicContact CE1-CD1 3.58Å; F127-I133 HydrophobicContact CE2-CD1 4.38Å; F127-I133 HydrophobicContact CG-CD1 3.69Å; F127-I133 HydrophobicContact CZ-CD1 4.09Å; F127-F157 HydrophobicContact CE1-CB 3.58Å; F127-F157 HydrophobicContact CE1-CD1 4.47Å; F127-F157 HydrophobicContact CE1-CD2 4.06Å; F127-F157 AromaticContact CE1-CG 3.79Å; F127-F157 HydrophobicContact CE1-CG 3.79Å; F127-F157 HydrophobicContact CZ-CB 4.19Å; F127-F157 HydrophobicContact CZ-CD2 4.25Å; F127-F157 HydrophobicContact CZ-CG 4.4Å; F127-H161 HydrophobicContact CE2-CB 4.25Å; F127-H161 HydrophobicContact CZ-CB 4.07Å; F127-V162 HydrophobicContact CE2-CG1 4.17Å; F127-V162 HydrophobicContact CZ-CG1 3.83Å
128	E	93.1	Very high	90.5	Very high	93 Å²	93	47.2 Å²	47.2	44%	0.435	27%	0.272	S	S	.	.			trans	-111.8	157.9	180	-74	157.9	-125.3	0	0	111.2	A113 N116 G130 D131 R150	A113-E128 WeakPolarHBondContact CB-O 3.25Å; N116-E128 WeakPolarHBondContact OD1-CA 3.43Å; E128-G130 PolarHBondContact O-N 3.3Å; E128-D131 PolarHBondContact N-OD2 2.96Å; E128-D131 VanDerWaalsContact O-CB 3.31Å; E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 2.75Å; E128-R150 IonicContact OE1-CZ 3.8Å; E128-R150 IonicContact OE1-NH1 3.62Å; E128-R150 PolarHBondContact OE1-NH1 2.72Å; E128-R150 IonicContact OE1-NH2 3.87Å; E128-R150 PolarHBondContact OE1-NH2 2.8Å; E128-R150 IonicContact OE2-NH1 2.71Å
129	V	91.3	Very high	90.4	Very high	90 Å²	90	43 Å²	43	55%	0.545	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	127.3	176.3	176.8	0	0	0	0	111.6	N116	N116-V129 PolarHBondContact OD1-N 3.09Å
130	G	89	Confident	90.4	Very high	28 Å²	28	43.3 Å²	43.3	29%	0.289	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-7.5	-178.6	0	0	0	0	0	115.3	L95 A113 E128 I132	L95-G130 VanDerWaalsContact CD1-O 3.26Å; L95-G130 WeakPolarHBondContact CD1-O 3.02Å; A113-G130 PolarHBondContact O-N 3.36Å; E128-G130 PolarHBondContact O-N 3.3Å; G130-I132 PolarHBondContact O-N 3.31Å
131	D	91.9	Very high	90.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.011	25%	0.249	C	C	.	.			trans	-57.6	135.2	173	-90.6	-30.2	0	0	0	111.9	I112 A113 F127 E128 R150	I112-D131 WeakPolarHBondContact CA-O 3.22Å; A113-D131 HydrophobicContact CB-CB 4.15Å; A113-D131 PolarHBondContact N-O 3.01Å; F127-D131 WeakPolarHBondContact CA-OD2 3.33Å; F127-D131 HydrophobicContact CB-CB 3.99Å; F127-D131 WeakPolarHBondContact CB-OD2 3.12Å; E128-D131 PolarHBondContact N-OD2 2.96Å; E128-D131 VanDerWaalsContact O-CB 3.31Å; E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 2.75Å; D131-R150 VanDerWaalsContact CG-NE 3.26Å; D131-R150 VanDerWaalsContact OD1-CB 3.29Å; D131-R150 WeakPolarHBondContact OD1-CB 3.2Å; D131-R150 VanDerWaalsContact OD1-CD 3.26Å; D131-R150 WeakPolarHBondContact OD1-CD 3.24Å; D131-R150 IonicContact OD1-CZ 2.67Å; D131-R150 IonicContact OD1-NE 3.17Å; D131-R150 PolarHBondContact OD1-NE 2.85Å; D131-R150 IonicContact OD2-CZ 3.1Å; D131-R150 VanDerWaalsContact OD2-CZ 3.24Å; D131-R150 IonicContact OD2-NE 2.72Å; D131-R150 PolarHBondContact OD2-NE 3.28Å; D131-R150 IonicContact OD2-NH2 3.26Å; D131-R150 PolarHBondContact OD2-NH2 2.82Å
132	I	92.1	Very high	90.1	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.6	170.5	-47.2	172	0	0	0	108.2	F100 H110 G130 M134 I149	F100-I132 HydrophobicContact CB-CD1 4.21Å; F100-I132 HydrophobicContact CD2-CD1 3.67Å; F100-I132 HydrophobicContact CD2-CG1 4.43Å; F100-I132 HydrophobicContact CG-CD1 4.31Å; H110-I132 HydrophobicContact CB-CG2 4.41Å; G130-I132 PolarHBondContact O-N 3.31Å; I132-M134 HydrophobicContact CG2-SD 4.45Å; I132-I149 HydrophobicContact CB-CB 4.28Å; I132-I149 HydrophobicContact CB-CG1 4.11Å; I132-I149 HydrophobicContact CG2-CG1 4.15Å; I132-I149 WeakPolarHBondContact O-CB 3.43Å; I132-I149 PolarHBondContact O-N 2.88Å
133	I	94.1	Very high	90.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119	178	-57.3	161.6	0	0	0	108.2	H110 V111 L125 F127 R147 F157 V162	H110-I133 CarbonylContact C-O 3.52Å; H110-I133 VanDerWaalsContact CA-O 3.28Å; H110-I133 WeakPolarHBondContact CA-O 3.48Å; H110-I133 WeakPolarHBondContact CB-O 3.38Å; V111-I133 HydrophobicContact CG2-CB 3.75Å; V111-I133 HydrophobicContact CG2-CD1 4.29Å; V111-I133 HydrophobicContact CG2-CG2 4.37Å; V111-I133 PolarHBondContact N-O 3.17Å; V111-I133 PolarHBondContact O-N 3.36Å; L125-I133 HydrophobicContact CD2-CD1 4.21Å; L125-I133 HydrophobicContact CD2-CG1 4.2Å; L125-I133 HydrophobicContact CD2-CG2 3.54Å; F127-I133 HydrophobicContact CB-CD1 4.21Å; F127-I133 HydrophobicContact CD1-CD1 3.36Å; F127-I133 HydrophobicContact CD2-CD1 4.21Å; F127-I133 HydrophobicContact CE1-CD1 3.58Å; F127-I133 HydrophobicContact CE2-CD1 4.38Å; F127-I133 HydrophobicContact CG-CD1 3.69Å; F127-I133 HydrophobicContact CZ-CD1 4.09Å; I133-R147 CarbonylContact C-O 3.52Å; I133-R147 WeakPolarHBondContact CA-O 3.47Å; I133-F157 HydrophobicContact CB-CZ 4.47Å; I133-F157 HydrophobicContact CD1-CZ 4.45Å; I133-F157 HydrophobicContact CG2-CE1 3.58Å; I133-F157 HydrophobicContact CG2-CZ 3.7Å; I133-V162 HydrophobicContact CD1-CG1 4.3Å
134	M	93.7	Very high	90.7	Very high	22 Å²	22	40.9 Å²	40.9	11%	0.108	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.5	172.5	-54.4	-49.7	-61.4	0	0	108.8	Q108 H110 I132 G146 R147 I149	Q108-M134 HydrophobicContact CB-CE 3.43Å; Q108-M134 VanDerWaalsContact CB-CE 3.43Å; H110-M134 HydrophobicContact CB-CE 3.94Å; H110-M134 HydrophobicContact CB-SD 3.83Å; I132-M134 HydrophobicContact CG2-SD 4.45Å; M134-G146 CarbonylContact O-C 3.51Å; M134-G146 WeakPolarHBondContact O-CA 3.46Å; M134-R147 PolarHBondContact N-O 2.91Å; M134-R147 PolarHBondContact O-N 2.97Å; M134-I149 HydrophobicContact CG-CD1 3.56Å; M134-I149 HydrophobicContact CG-CG1 3.99Å; M134-I149 HydrophobicContact SD-CD1 3.89Å; M134-I149 HydrophobicContact SD-CG1 4.04Å
135	L	92.4	Very high	90.7	Very high	14 Å²	14	42 Å²	42	7%	0.073	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.7	176.6	-69.5	172.3	0	0	0	110	P109 V111 Y144 F157 L168	P109-L135 HydrophobicContact CB-CB 3.99Å; P109-L135 HydrophobicContact CB-CD1 4.33Å; P109-L135 PolarHBondContact O-N 2.86Å; V111-L135 HydrophobicContact CG1-CD1 3.76Å; V111-L135 HydrophobicContact CG1-CD2 3.74Å; V111-L135 HydrophobicContact CG1-CG 3.78Å; L135-Y144 HydrophobicContact CD2-CD1 4.05Å; L135-Y144 HydrophobicContact CD2-CD2 3.92Å; L135-Y144 HydrophobicContact CD2-CE2 4.48Å; L135-Y144 HydrophobicContact CD2-CG 3.67Å; L135-F157 HydrophobicContact CD2-CZ 4.01Å; L135-L168 HydrophobicContact CB-CD1 3.81Å; L135-L168 HydrophobicContact CB-CD2 3.98Å; L135-L168 HydrophobicContact CB-CG 3.63Å; L135-L168 HydrophobicContact CD1-CD1 4.5Å; L135-L168 HydrophobicContact CD1-CG 4.11Å; L135-L168 HydrophobicContact CG-CG 4.48Å
136	E	90.4	Very high	90.7	Very high	68 Å²	68	41.9 Å²	41.9	32%	0.318	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-34.3	174.4	-69.2	-167.9	173.8	0	0	112.6	K145 R147	E136-K145 HydrophobicContact CB-CG 4.37Å; E136-K145 PolarHBondContact N-O 2.82Å; E136-K145 IonicContact OE2-NZ 2.95Å; E136-K145 PolarHBondContact OE2-NZ 2.83Å; E136-R147 IonicContact OE1-CZ 2.67Å; E136-R147 VanDerWaalsContact OE1-CZ 3.28Å; E136-R147 IonicContact OE1-NE 2.67Å; E136-R147 PolarHBondContact OE1-NE 3.43Å; E136-R147 IonicContact OE1-NH2 2.62Å; E136-R147 PolarHBondContact OE1-NH2 3.02Å
137	D	88.7	Confident	90.8	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	162.8	-179.2	-152.9	-6	0	0	0	112.9	K145 L168	D137-K145 HydrophobicContact CB-CB 3.9Å; D137-K145 HydrophobicContact CB-CD 4.06Å; D137-K145 PolarHBondContact N-O 3.01Å; D137-K145 PolarHBondContact O-N 2.87Å; D137-L168 VanDerWaalsContact C-CD1 3.44Å
138	I	87.3	Confident	90.7	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114	171.2	-55.5	-167.7	0	0	0	108.4	Y144 L168 G171	I138-Y144 HydrophobicContact CB-CD1 4.43Å; I138-Y144 HydrophobicContact CD1-CD1 4.49Å; I138-Y144 HydrophobicContact CD1-CE1 3.83Å; I138-Y144 HydrophobicContact CG1-CD1 3.92Å; I138-Y144 HydrophobicContact CG1-CE1 3.76Å; I138-Y144 HydrophobicContact CG2-CD1 4.39Å; I138-Y144 HydrophobicContact CG2-CE1 4.28Å; I138-L168 HydrophobicContact CD1-CB 4.19Å; I138-L168 HydrophobicContact CD1-CD1 4.35Å; I138-L168 HydrophobicContact CG1-CB 4.32Å; I138-L168 HydrophobicContact CG1-CD1 3.61Å; I138-G171 VanDerWaalsContact CD1-O 3.25Å; I138-G171 WeakPolarHBondContact CD1-O 3.32Å
139	V	87.4	Confident	90.5	Very high	49 Å²	49	40.3 Å²	40.3	30%	0.297	21%	0.21	S	C	.	.			trans	-86.3	-42.9	-170.3	-172	0	0	0	0	111.3	W143 K145 I156 P242 I245	V139-W143 HydrophobicContact CB-CB 4.11Å; V139-W143 WeakPolarHBondContact CB-O 3.33Å; V139-W143 PolarHBondContact N-O 2.87Å; V139-K145 HydrophobicContact CG2-CB 3.83Å; V139-I156 HydrophobicContact CG2-CG2 3.72Å; V139-P242 HydrophobicContact CG1-CB 4.04Å; V139-P242 HydrophobicContact CG1-CG 3.85Å; V139-I245 HydrophobicContact CG1-CD1 4.14Å; V139-I245 HydrophobicContact CG1-CG1 4.32Å
140	D	85.8	Confident	90.4	Very high	55 Å²	55	40.8 Å²	40.8	29%	0.294	20%	0.202	S	C	.	.	S	Bend	trans	-160.9	-168	168.9	68.3	23.3	0	0	0	111.5	S142 W143 P242	D140-S142 PolarHBondContact O-N 3.29Å; D140-S142 WeakPolarHBondContact OD1-CA 3.32Å; D140-S142 PolarHBondContact OD1-N 2.85Å; D140-W143 PolarHBondContact N-O 3.37Å; D140-W143 PolarHBondContact OD1-N 2.8Å; D140-P242 WeakPolarHBondContact OD2-CG 3.47Å
141	E	77.6	Confident	90.4	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	21%	0.21	S	C	*	.	S	Bend	trans	-63.8	1.3	179.9	-45.8	-171.6	159.2	0	0	115.4	T174 T176	E141-T174 HydrophobicContact CB-CG2 3.61Å; E141-T174 HydrophobicContact CG-CG2 3.65Å; E141-T174 PolarHBondContact O-OG1 2.85Å; E141-T176 PolarHBondContact O-OG1 2.8Å; E141-T176 VanDerWaalsContact O-OG1 3.12Å
142	S	86.6	Confident	90.3	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-147.3	-8.3	-176.2	-68.9	0	0	0	0	114.7	D140 P158 M159 P239	D140-S142 PolarHBondContact O-N 3.29Å; D140-S142 WeakPolarHBondContact OD1-CA 3.32Å; D140-S142 PolarHBondContact OD1-N 2.85Å; S142-P158 CarbonylContact O-C 3.42Å; S142-P158 VanDerWaalsContact O-CA 3.32Å; S142-P158 WeakPolarHBondContact O-CA 3.4Å; S142-M159 PolarHBondContact O-N 2.93Å; S142-P239 VanDerWaalsContact CB-CB 3.47Å
143	W	91.8	Very high	90.2	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	-178.5	-67.9	83.8	0	0	0	112.8	F117 V139 D140 I156 F157 P158 P239 K240 R241 P242	F117-W143 HydrophobicContact CZ-CH2 4.07Å; F117-W143 AromaticContact CZ-CZ3 3.98Å; F117-W143 HydrophobicContact CZ-CZ3 3.98Å; V139-W143 HydrophobicContact CB-CB 4.11Å; V139-W143 WeakPolarHBondContact CB-O 3.33Å; V139-W143 PolarHBondContact N-O 2.87Å; D140-W143 PolarHBondContact N-O 3.37Å; D140-W143 PolarHBondContact OD1-N 2.8Å; W143-I156 HydrophobicContact CD2-CD1 4.28Å; W143-I156 HydrophobicContact CE3-CB 4.36Å; W143-I156 HydrophobicContact CE3-CD1 3.53Å; W143-I156 HydrophobicContact CE3-CG1 4.35Å; W143-I156 HydrophobicContact CZ3-CD1 3.72Å; W143-F157 WeakPolarHBondContact CA-O 3.29Å; W143-P158 HydrophobicContact CD2-CB 4.33Å; W143-P158 HydrophobicContact CE3-CB 4.41Å; W143-P158 HydrophobicContact CH2-CB 4.45Å; W143-P158 HydrophobicContact CH2-CG 4.49Å; W143-P158 HydrophobicContact CZ2-CB 4.36Å; W143-P158 HydrophobicContact CZ3-CB 4.48Å; W143-P158 HydrophobicContact CZ3-CG 4.49Å; W143-P239 HydrophobicContact CZ2-CG 4.23Å; W143-P239 WeakPolarHBondContact CZ2-O 3.49Å; W143-K240 PolarHBondContact NE1-O 3.4Å; W143-R241 HydrophobicContact CH2-CB 4.3Å; W143-R241 HydrophobicContact CH2-CG 4.18Å; W143-R241 HydrophobicContact CZ2-CB 3.99Å; W143-R241 HydrophobicContact CZ2-CG 4.27Å; W143-P242 HydrophobicContact CB-CG 3.86Å; W143-P242 HydrophobicContact CD2-CG 4.17Å; W143-P242 HydrophobicContact CG-CG 3.63Å
144	Y	94.3	Very high	90.2	Very high	14 Å²	14	47.8 Å²	47.8	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	159.2	168.3	-72.2	-50	0	0	0	111	L135 I138 I156 F157 M159 V162 V164	L135-Y144 HydrophobicContact CD2-CD1 4.05Å; L135-Y144 HydrophobicContact CD2-CD2 3.92Å; L135-Y144 HydrophobicContact CD2-CE2 4.48Å; L135-Y144 HydrophobicContact CD2-CG 3.67Å; I138-Y144 HydrophobicContact CB-CD1 4.43Å; I138-Y144 HydrophobicContact CD1-CD1 4.49Å; I138-Y144 HydrophobicContact CD1-CE1 3.83Å; I138-Y144 HydrophobicContact CG1-CD1 3.92Å; I138-Y144 HydrophobicContact CG1-CE1 3.76Å; I138-Y144 HydrophobicContact CG2-CD1 4.39Å; I138-Y144 HydrophobicContact CG2-CE1 4.28Å; Y144-I156 CarbonylContact O-C 3.53Å; Y144-I156 WeakPolarHBondContact O-CA 3.25Å; Y144-F157 HydrophobicContact CD2-CE2 4.07Å; Y144-F157 HydrophobicContact CD2-CZ 4.46Å; Y144-F157 HydrophobicContact CG-CE2 4.41Å; Y144-F157 HydrophobicContact CG-CZ 4.48Å; Y144-F157 PolarHBondContact N-O 2.9Å; Y144-F157 PolarHBondContact O-N 3.02Å; Y144-M159 HydrophobicContact CD2-CB 3.98Å; Y144-M159 HydrophobicContact CD2-CG 4.2Å; Y144-M159 HydrophobicContact CE2-CB 3.85Å; Y144-M159 HydrophobicContact CE2-CG 3.57Å; Y144-M159 HydrophobicContact CE2-SD 3.67Å; Y144-M159 PolarHBondContact OH-SD 3.37Å; Y144-V162 HydrophobicContact CD2-CG2 4.4Å; Y144-V164 HydrophobicContact CE2-CG2 3.66Å
145	K	93.9	Very high	90.2	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.191	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.2	161.8	-178.7	-175.6	173.8	-105.8	0	108.4	E136 D137 V139 G155 I156 L250	E136-K145 HydrophobicContact CB-CG 4.37Å; E136-K145 PolarHBondContact N-O 2.82Å; E136-K145 IonicContact OE2-NZ 2.95Å; E136-K145 PolarHBondContact OE2-NZ 2.83Å; D137-K145 HydrophobicContact CB-CB 3.9Å; D137-K145 HydrophobicContact CB-CD 4.06Å; D137-K145 PolarHBondContact N-O 3.01Å; D137-K145 PolarHBondContact O-N 2.87Å; V139-K145 HydrophobicContact CG2-CB 3.83Å; K145-G155 WeakPolarHBondContact CA-O 3.36Å; K145-I156 HydrophobicContact CB-CG2 4.13Å; K145-I156 HydrophobicContact CG-CG2 4.38Å; K145-L250 HydrophobicContact CD-CD2 4.03Å; K145-L250 VanDerWaalsContact CE-CD2 3.47Å
146	G	94.2	Very high	90.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	-174	177.9	0	0	0	0	0	113.9	M134 V154 G155	M134-G146 CarbonylContact O-C 3.51Å; M134-G146 WeakPolarHBondContact O-CA 3.46Å; G146-V154 WeakPolarHBondContact O-CA 3.35Å; G146-G155 PolarHBondContact N-O 2.61Å; G146-G155 PolarHBondContact O-N 2.67Å; G146-G155 VanDerWaalsContact O-N 3.13Å
147	R	95.5	Very high	90.6	Very high	104 Å²	104	42.9 Å²	42.9	39%	0.392	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.3	-176.7	-177.1	-176.3	-57.9	-91.4	-2	110.7	I133 M134 E136 I149 G152 A153 V154	I133-R147 CarbonylContact C-O 3.52Å; I133-R147 WeakPolarHBondContact CA-O 3.47Å; M134-R147 PolarHBondContact N-O 2.91Å; M134-R147 PolarHBondContact O-N 2.97Å; E136-R147 IonicContact OE1-CZ 2.67Å; E136-R147 VanDerWaalsContact OE1-CZ 3.28Å; E136-R147 IonicContact OE1-NE 2.67Å; E136-R147 PolarHBondContact OE1-NE 3.43Å; E136-R147 IonicContact OE1-NH2 2.62Å; E136-R147 PolarHBondContact OE1-NH2 3.02Å; R147-I149 PolarHBondContact O-N 3.34Å; R147-G152 PolarHBondContact NH1-O 2.97Å; R147-A153 VanDerWaalsContact CA-O 3.26Å; R147-A153 WeakPolarHBondContact CA-O 3.38Å; R147-V154 HydrophobicContact CB-CG2 4.18Å; R147-V154 HydrophobicContact CG-CG2 4.08Å; R147-V154 VanDerWaalsContact NH1-CG2 3.33Å; R147-V154 VanDerWaalsContact NH2-CG2 3.3Å
148	S	93.5	Very high	90.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.3	174.3	172.6	0	0	0	0	110.3	R150 T151 G152 A153	S148-R150 VanDerWaalsContact C-N 3.25Å; S148-R150 PolarHBondContact O-N 3.47Å; S148-R150 PolarHBondContact OG-N 3Å; S148-T151 WeakPolarHBondContact CB-OG1 3.15Å; S148-T151 PolarHBondContact OG-N 3.09Å; S148-T151 PolarHBondContact OG-OG1 3.33Å; S148-G152 VanDerWaalsContact O-CA 3.27Å; S148-G152 WeakPolarHBondContact O-CA 3.28Å; S148-G152 PolarHBondContact O-N 3.13Å; S148-A153 PolarHBondContact N-O 3.3Å
149	I	88.8	Confident	91	Very high	47 Å²	47	37.7 Å²	37.7	24%	0.241	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.7	172.3	-69.5	-64.1	0	0	0	111.3	Y103 I132 M134 R147	Y103-I149 HydrophobicContact CD1-CD1 4.36Å; Y103-I149 HydrophobicContact CD2-CD1 3.91Å; Y103-I149 HydrophobicContact CD2-CG1 4.37Å; Y103-I149 HydrophobicContact CD2-CG2 3.8Å; Y103-I149 HydrophobicContact CE2-CD1 4.14Å; Y103-I149 HydrophobicContact CE2-CG2 3.77Å; Y103-I149 HydrophobicContact CG-CD1 4.04Å; I132-I149 HydrophobicContact CB-CB 4.28Å; I132-I149 HydrophobicContact CB-CG1 4.11Å; I132-I149 HydrophobicContact CG2-CG1 4.15Å; I132-I149 WeakPolarHBondContact O-CB 3.43Å; I132-I149 PolarHBondContact O-N 2.88Å; M134-I149 HydrophobicContact CG-CD1 3.56Å; M134-I149 HydrophobicContact CG-CG1 3.99Å; M134-I149 HydrophobicContact SD-CD1 3.89Å; M134-I149 HydrophobicContact SD-CG1 4.04Å; R147-I149 PolarHBondContact O-N 3.34Å
150	R	89.1	Confident	91.2	Very high	100 Å²	100	37.7 Å²	37.7	38%	0.377	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-44	-178.1	179.7	174.9	59.1	100.9	0.4	112.9	E128 D131 S148	E128-R150 IonicContact OE1-CZ 3.8Å; E128-R150 IonicContact OE1-NH1 3.62Å; E128-R150 PolarHBondContact OE1-NH1 2.72Å; E128-R150 IonicContact OE1-NH2 3.87Å; E128-R150 PolarHBondContact OE1-NH2 2.8Å; E128-R150 IonicContact OE2-NH1 2.71Å; D131-R150 VanDerWaalsContact CG-NE 3.26Å; D131-R150 VanDerWaalsContact OD1-CB 3.29Å; D131-R150 WeakPolarHBondContact OD1-CB 3.2Å; D131-R150 VanDerWaalsContact OD1-CD 3.26Å; D131-R150 WeakPolarHBondContact OD1-CD 3.24Å; D131-R150 IonicContact OD1-CZ 2.67Å; D131-R150 IonicContact OD1-NE 3.17Å; D131-R150 PolarHBondContact OD1-NE 2.85Å; D131-R150 IonicContact OD2-CZ 3.1Å; D131-R150 VanDerWaalsContact OD2-CZ 3.24Å; D131-R150 IonicContact OD2-NE 2.72Å; D131-R150 PolarHBondContact OD2-NE 3.28Å; D131-R150 IonicContact OD2-NH2 3.26Å; D131-R150 PolarHBondContact OD2-NH2 2.82Å; S148-R150 VanDerWaalsContact C-N 3.25Å; S148-R150 PolarHBondContact O-N 3.47Å; S148-R150 PolarHBondContact OG-N 3Å
151	T	89	Confident	91.5	Very high	73 Å²	73	35.7 Å²	35.7	45%	0.448	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-13.3	-173.5	64.7	0	0	0	0	113.8	S148 A153	S148-T151 WeakPolarHBondContact CB-OG1 3.15Å; S148-T151 PolarHBondContact OG-N 3.09Å; S148-T151 PolarHBondContact OG-OG1 3.33Å; T151-A153 PolarHBondContact O-N 3.33Å; T151-A153 VanDerWaalsContact O-N 3.07Å; T151-A153 WeakPolarHBondContact OG1-CB 3.42Å
152	G	89.3	Confident	92.3	Very high	40 Å²	40	29.8 Å²	29.8	41%	0.412	16%	0.163	S	C	.	.			trans	70.6	-8.8	-174.3	0	0	0	0	0	114.8	R147 S148	R147-G152 PolarHBondContact NH1-O 2.97Å; S148-G152 VanDerWaalsContact O-CA 3.27Å; S148-G152 WeakPolarHBondContact O-CA 3.28Å; S148-G152 PolarHBondContact O-N 3.13Å
153	A	91.5	Very high	92.4	Very high	48 Å²	48	31.8 Å²	31.8	40%	0.397	17%	0.168	S	C	.	.			trans	-64.8	153.1	-179.3	0	0	0	0	0	111.9	L125 R147 S148 T151	L125-A153 HydrophobicContact CD1-CB 3.9Å; L125-A153 VanDerWaalsContact CD1-O 3.28Å; L125-A153 WeakPolarHBondContact CD1-O 3.31Å; R147-A153 VanDerWaalsContact CA-O 3.26Å; R147-A153 WeakPolarHBondContact CA-O 3.38Å; S148-A153 PolarHBondContact N-O 3.3Å; T151-A153 PolarHBondContact O-N 3.33Å; T151-A153 VanDerWaalsContact O-N 3.07Å; T151-A153 WeakPolarHBondContact OG1-CB 3.42Å
154	V	93	Very high	92.3	Very high	33 Å²	33	32.8 Å²	32.8	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.2	178.3	-178.2	0	0	0	0	108.8	G146 R147	G146-V154 WeakPolarHBondContact O-CA 3.35Å; R147-V154 HydrophobicContact CB-CG2 4.18Å; R147-V154 HydrophobicContact CG-CG2 4.08Å; R147-V154 VanDerWaalsContact NH1-CG2 3.33Å; R147-V154 VanDerWaalsContact NH2-CG2 3.3Å
155	G	94.6	Very high	91.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-173.7	177.7	0	0	0	0	0	112.1	G123 K145 G146	G123-G155 CarbonylContact O-C 3.55Å; G123-G155 VanDerWaalsContact O-CA 3.22Å; G123-G155 WeakPolarHBondContact O-CA 3.45Å; K145-G155 WeakPolarHBondContact CA-O 3.36Å; G146-G155 PolarHBondContact N-O 2.61Å; G146-G155 PolarHBondContact O-N 2.67Å; G146-G155 VanDerWaalsContact O-N 3.13Å
156	I	94.8	Very high	91.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.9	176.5	59	130.2	0	0	0	111.7	G123 D124 L125 V139 W143 Y144 K145 R241 I245	G123-I156 WeakPolarHBondContact O-CG1 3.36Å; G123-I156 PolarHBondContact O-N 3.43Å; D124-I156 CarbonylContact C-O 3.51Å; D124-I156 VanDerWaalsContact CA-O 3.26Å; D124-I156 WeakPolarHBondContact CA-O 3.37Å; D124-I156 WeakPolarHBondContact OD1-CD1 3.43Å; D124-I156 WeakPolarHBondContact OD1-CG1 3.29Å; L125-I156 PolarHBondContact N-O 2.93Å; V139-I156 HydrophobicContact CG2-CG2 3.72Å; W143-I156 HydrophobicContact CD2-CD1 4.28Å; W143-I156 HydrophobicContact CE3-CB 4.36Å; W143-I156 HydrophobicContact CE3-CD1 3.53Å; W143-I156 HydrophobicContact CE3-CG1 4.35Å; W143-I156 HydrophobicContact CZ3-CD1 3.72Å; Y144-I156 CarbonylContact O-C 3.53Å; Y144-I156 WeakPolarHBondContact O-CA 3.25Å; K145-I156 HydrophobicContact CB-CG2 4.13Å; K145-I156 HydrophobicContact CG-CG2 4.38Å; I156-R241 HydrophobicContact CD1-CG 4.08Å; I156-I245 HydrophobicContact CB-CD1 4.32Å; I156-I245 HydrophobicContact CD1-CD1 3.25Å; I156-I245 HydrophobicContact CG1-CD1 3.73Å; I156-I245 HydrophobicContact CG2-CD1 4Å
157	F	95.4	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.5	-178.8	58.7	-87.9	0	0	0	112.1	V111 F117 L125 F127 I133 L135 W143 Y144 V162	V111-F157 HydrophobicContact CG2-CE2 3.99Å; V111-F157 HydrophobicContact CG2-CZ 4.01Å; F117-F157 HydrophobicContact CD1-CB 4.05Å; F117-F157 HydrophobicContact CE1-CB 3.95Å; L125-F157 HydrophobicContact CB-CD1 4.1Å; L125-F157 HydrophobicContact CD2-CD1 3.85Å; L125-F157 HydrophobicContact CD2-CE1 4Å; F127-F157 HydrophobicContact CE1-CB 3.58Å; F127-F157 HydrophobicContact CE1-CD1 4.47Å; F127-F157 HydrophobicContact CE1-CD2 4.06Å; F127-F157 AromaticContact CE1-CG 3.79Å; F127-F157 HydrophobicContact CE1-CG 3.79Å; F127-F157 HydrophobicContact CZ-CB 4.19Å; F127-F157 HydrophobicContact CZ-CD2 4.25Å; F127-F157 HydrophobicContact CZ-CG 4.4Å; I133-F157 HydrophobicContact CB-CZ 4.47Å; I133-F157 HydrophobicContact CD1-CZ 4.45Å; I133-F157 HydrophobicContact CG2-CE1 3.58Å; I133-F157 HydrophobicContact CG2-CZ 3.7Å; L135-F157 HydrophobicContact CD2-CZ 4.01Å; W143-F157 WeakPolarHBondContact CA-O 3.29Å; Y144-F157 HydrophobicContact CD2-CE2 4.07Å; Y144-F157 HydrophobicContact CD2-CZ 4.46Å; Y144-F157 HydrophobicContact CG-CE2 4.41Å; Y144-F157 HydrophobicContact CG-CZ 4.48Å; Y144-F157 PolarHBondContact N-O 2.9Å; Y144-F157 PolarHBondContact O-N 3.02Å; F157-V162 HydrophobicContact CD2-CG1 3.87Å; F157-V162 HydrophobicContact CD2-CG2 4.44Å; F157-V162 HydrophobicContact CE2-CB 4.45Å; F157-V162 HydrophobicContact CE2-CG1 3.74Å; F157-V162 HydrophobicContact CE2-CG2 3.92Å
158	P	93.9	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.3	-175.7	32.2	-36.8	0	0	0	111.5	F117 S142 W143 N160 H161 P239	F117-P158 HydrophobicContact CD2-CG 4.01Å; F117-P158 VanDerWaalsContact CE2-CD 3.48Å; F117-P158 HydrophobicContact CE2-CG 3.64Å; F117-P158 HydrophobicContact CZ-CG 3.99Å; S142-P158 CarbonylContact O-C 3.42Å; S142-P158 VanDerWaalsContact O-CA 3.32Å; S142-P158 WeakPolarHBondContact O-CA 3.4Å; W143-P158 HydrophobicContact CD2-CB 4.33Å; W143-P158 HydrophobicContact CE3-CB 4.41Å; W143-P158 HydrophobicContact CH2-CB 4.45Å; W143-P158 HydrophobicContact CH2-CG 4.49Å; W143-P158 HydrophobicContact CZ2-CB 4.36Å; W143-P158 HydrophobicContact CZ3-CB 4.48Å; W143-P158 HydrophobicContact CZ3-CG 4.49Å; P158-N160 PolarHBondContact O-N 2.89Å; P158-N160 VanDerWaalsContact O-N 3.09Å; P158-H161 HydrophobicContact CG-CB 4.17Å; P158-H161 WeakPolarHBondContact CG-ND1 3.44Å; P158-H161 PolarHBondContact O-N 2.8Å; P158-P239 HydrophobicContact CB-CG 3.48Å; P158-P239 VanDerWaalsContact CB-CG 3.48Å
159	M	91.9	Very high	88.5	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.039	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-57.4	-27.6	-178.2	172.6	167.5	57.8	0	0	113	S142 Y144 H161 V162 T176 Q177	S142-M159 PolarHBondContact O-N 2.93Å; Y144-M159 HydrophobicContact CD2-CB 3.98Å; Y144-M159 HydrophobicContact CD2-CG 4.2Å; Y144-M159 HydrophobicContact CE2-CB 3.85Å; Y144-M159 HydrophobicContact CE2-CG 3.57Å; Y144-M159 HydrophobicContact CE2-SD 3.67Å; Y144-M159 PolarHBondContact OH-SD 3.37Å; M159-H161 PolarHBondContact O-N 3.02Å; M159-V162 WeakPolarHBondContact O-CG2 3.24Å; M159-V162 PolarHBondContact O-N 3.48Å; M159-T176 WeakPolarHBondContact CE-OG1 3.49Å; M159-Q177 HydrophobicContact CE-CG 4.36Å; M159-Q177 HydrophobicContact CG-CG 4.18Å; M159-Q177 HydrophobicContact SD-CG 3.67Å
160	N	91.2	Very high	86.7	Confident	48 Å²	48	42 Å²	42	26%	0.257	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-76.4	-4.7	178.8	71.1	-10.4	0	0	0	114.6	P158 P178	P158-N160 PolarHBondContact O-N 2.89Å; P158-N160 VanDerWaalsContact O-N 3.09Å; N160-P178 HydrophobicContact CB-CG 4.49Å
161	H	91.8	Very high	84.1	Confident	14 Å²	14	38.6 Å²	38.6	7%	0.065	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-92.8	-1.4	173	-73.2	55	0	0	0	113.4	L114 Y115 F117 F127 P158 M159	L114-H161 PolarHBondContact N-O 2.9Å; Y115-H161 PolarHBondContact N-O 2.68Å; F117-H161 AromaticContact CD2-CD2 3.73Å; F117-H161 AromaticContact CD2-NE2 3.97Å; F127-H161 HydrophobicContact CE2-CB 4.25Å; F127-H161 HydrophobicContact CZ-CB 4.07Å; P158-H161 HydrophobicContact CG-CB 4.17Å; P158-H161 WeakPolarHBondContact CG-ND1 3.44Å; P158-H161 PolarHBondContact O-N 2.8Å; M159-H161 PolarHBondContact O-N 3.02Å
162	V	93.8	Very high	81.6	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.6	-173.6	-58.3	0	0	0	0	112.7	V111 I112 F127 I133 Y144 F157 M159	V111-V162 HydrophobicContact CB-CB 3.92Å; V111-V162 HydrophobicContact CB-CG2 3.99Å; V111-V162 HydrophobicContact CG1-CG2 4.2Å; V111-V162 HydrophobicContact CG2-CB 3.74Å; V111-V162 HydrophobicContact CG2-CG1 3.8Å; V111-V162 HydrophobicContact CG2-CG2 3.93Å; I112-V162 CarbonylContact O-C 3.56Å; I112-V162 VanDerWaalsContact O-CA 3.31Å; I112-V162 WeakPolarHBondContact O-CA 3.3Å; F127-V162 HydrophobicContact CE2-CG1 4.17Å; F127-V162 HydrophobicContact CZ-CG1 3.83Å; I133-V162 HydrophobicContact CD1-CG1 4.3Å; Y144-V162 HydrophobicContact CD2-CG2 4.4Å; F157-V162 HydrophobicContact CD2-CG1 3.87Å; F157-V162 HydrophobicContact CD2-CG2 4.44Å; F157-V162 HydrophobicContact CE2-CB 4.45Å; F157-V162 HydrophobicContact CE2-CG1 3.74Å; F157-V162 HydrophobicContact CE2-CG2 3.92Å; M159-V162 WeakPolarHBondContact O-CG2 3.24Å; M159-V162 PolarHBondContact O-N 3.48Å
163	E	89.8	Confident	79.1	Confident	78 Å²	78	46.4 Å²	46.4	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.8	166.8	-177.3	-174.5	-147.1	0	0	108.9	V111 I112 L114 R165	V111-E163 CarbonylContact C-O 3.48Å; V111-E163 WeakPolarHBondContact CA-O 3.31Å; V111-E163 WeakPolarHBondContact CB-O 3.47Å; I112-E163 PolarHBondContact N-O 3.05Å; I112-E163 PolarHBondContact O-N 2.71Å; L114-E163 HydrophobicContact CD1-CB 4.08Å; L114-E163 HydrophobicContact CD2-CB 4.01Å; L114-E163 HydrophobicContact CG-CB 3.97Å; E163-R165 VanDerWaalsContact CD-NE 3.29Å; E163-R165 PolarHBondContact O-N 2.92Å; E163-R165 IonicContact OE1-NE 3.06Å; E163-R165 IonicContact OE1-NH2 2.78Å; E163-R165 IonicContact OE2-CZ 2.8Å; E163-R165 IonicContact OE2-NE 3.05Å; E163-R165 PolarHBondContact OE2-NE 3.02Å; E163-R165 IonicContact OE2-NH2 3.24Å; E163-R165 PolarHBondContact OE2-NH2 2.89Å
164	V	88.9	Confident	76.7	Confident	28 Å²	28	46.1 Å²	46.1	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.3	175.8	-178.1	0	0	0	0	109.8	V111 Y144 P167 Q177	V111-V164 HydrophobicContact CG1-CB 4.24Å; V111-V164 HydrophobicContact CG1-CG1 4.39Å; V111-V164 HydrophobicContact CG1-CG2 3.82Å; Y144-V164 HydrophobicContact CE2-CG2 3.66Å; V164-P167 HydrophobicContact CG1-CB 3.99Å; V164-Q177 VanDerWaalsContact CG2-NE2 3.3Å
165	R	85.3	Confident	74.1	Confident	127 Å²	127	51.1 Å²	51.1	48%	0.479	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-42.7	177.3	-68.7	-60.2	-176.5	123.2	-11.2	111.9	H110 I112 E163	H110-R165 WeakPolarHBondContact NE2-CB 3.39Å; H110-R165 PolarHBondContact O-N 2.92Å; I112-R165 HydrophobicContact CD1-CG 3.83Å; I112-R165 HydrophobicContact CG1-CG 3.91Å; E163-R165 VanDerWaalsContact CD-NE 3.29Å; E163-R165 PolarHBondContact O-N 2.92Å; E163-R165 IonicContact OE1-NE 3.06Å; E163-R165 IonicContact OE1-NH2 2.78Å; E163-R165 IonicContact OE2-CZ 2.8Å; E163-R165 IonicContact OE2-NE 3.05Å; E163-R165 PolarHBondContact OE2-NE 3.02Å; E163-R165 IonicContact OE2-NH2 3.24Å; E163-R165 PolarHBondContact OE2-NH2 2.89Å
166	I	83.5	Confident	71.5	Confident	45 Å²	45	54.6 Å²	54.6	23%	0.231	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	117.9	168.9	-57.4	-178.9	0	0	0	107.1	P109 H110	P109-I166 CarbonylContact C-O 3.56Å; P109-I166 VanDerWaalsContact CA-O 3.27Å; P109-I166 WeakPolarHBondContact CA-O 3.39Å; P109-I166 HydrophobicContact CG-CG2 4.44Å; H110-I166 PolarHBondContact N-O 2.83Å; H110-I166 PolarHBondContact O-N 3.42Å; H110-I166 VanDerWaalsContact O-N 3.07Å
167	P	82.4	Confident	68.9	Low	53 Å²	53	59 Å²	59	34%	0.344	32%	0.316	S	S	.	.			trans	-74.5	161.3	-179.8	32	-35.5	0	0	0	111.7	P109 V164 F173	P109-P167 WeakPolarHBondContact CG-O 3.25Å; V164-P167 HydrophobicContact CG1-CB 3.99Å; P167-F173 HydrophobicContact CB-CE1 3.96Å; P167-F173 HydrophobicContact CB-CZ 4.3Å; P167-F173 HydrophobicContact CG-CE1 4.36Å; P167-F173 HydrophobicContact CG-CZ 4.43Å
168	L	76.6	Confident	65.8	Low	24 Å²	24	62.8 Å²	62.8	13%	0.126	34%	0.34	C	S	.	.			trans	-66	139.7	164.2	-75.3	162.8	0	0	0	109.9	P109 L135 D137 I138 S170	P109-L168 HydrophobicContact CB-CD2 3.82Å; P109-L168 HydrophobicContact CB-CG 4.1Å; P109-L168 HydrophobicContact CG-CD2 4.1Å; L135-L168 HydrophobicContact CB-CD1 3.81Å; L135-L168 HydrophobicContact CB-CD2 3.98Å; L135-L168 HydrophobicContact CB-CG 3.63Å; L135-L168 HydrophobicContact CD1-CD1 4.5Å; L135-L168 HydrophobicContact CD1-CG 4.11Å; L135-L168 HydrophobicContact CG-CG 4.48Å; D137-L168 VanDerWaalsContact C-CD1 3.44Å; I138-L168 HydrophobicContact CD1-CB 4.19Å; I138-L168 HydrophobicContact CD1-CD1 4.35Å; I138-L168 HydrophobicContact CG1-CB 4.32Å; I138-L168 HydrophobicContact CG1-CD1 3.61Å; L168-S170 PolarHBondContact O-N 2.83Å
169	T	63.7	Low	62.9	Low	73 Å²	73	72 Å²	72	45%	0.448	38%	0.381	S	S	.	.	S	Bend	trans	-80.4	6.9	176.9	44	0	0	0	0	113.7	L856	T169-L856 HydrophobicContact CG2-CB 4.32Å
170	S	50.4	Low	59.8	Low	82 Å²	82	79.5 Å²	79.5	57%	0.573	42%	0.417	S	S	*	.	S	Bend	trans	-128.7	121.3	-174.7	-61.2	0	0	0	0	111.8	L168	L168-S170 PolarHBondContact O-N 2.83Å
171	G	35.8	Very low	56.6	Low	28 Å²	28	85.2 Å²	85.2	29%	0.289	44%	0.442	S	S	.	.	S	Bend	trans	78.5	105.2	154.7	0	0	0	0	0	118.5	I138 E829	I138-G171 VanDerWaalsContact CD1-O 3.25Å; I138-G171 WeakPolarHBondContact CD1-O 3.32Å; G171-E829 WeakPolarHBondContact CA-OE1 3.32Å
172	L	35.8	Very low	53.6	Low	121 Å²	121	92.1 Å²	92.1	63%	0.634	47%	0.473	S	S	*	.			trans	66.6	81.2	161.6	-50.1	179.1	0	0	0	117.8
173	F	37.7	Very low	50.4	Low	155 Å²	155	97.2 Å²	97.2	68%	0.68	50%	0.503	S	S	*	.			trans	-69.8	132.5	158.8	-70.6	-79.5	0	0	0	111.6	P167	P167-F173 HydrophobicContact CB-CE1 3.96Å; P167-F173 HydrophobicContact CB-CZ 4.3Å; P167-F173 HydrophobicContact CG-CE1 4.36Å; P167-F173 HydrophobicContact CG-CZ 4.43Å
174	T	39.8	Very low	47.4	Very low	42 Å²	42	102.2 Å²	102.2	26%	0.258	52%	0.52	S	S	.	.			trans	-129.9	149	-179.6	49.1	0	0	0	0	112.4	E141 T176	E141-T174 HydrophobicContact CB-CG2 3.61Å; E141-T174 HydrophobicContact CG-CG2 3.65Å; E141-T174 PolarHBondContact O-OG1 2.85Å; T174-T176 PolarHBondContact O-N 2.95Å
175	N	39.6	Very low	44.3	Very low	138 Å²	138	105.9 Å²	105.9	74%	0.738	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	37.8	-160.6	-156.7	8.2	0	0	0	113.6	E492	N175-E492 PolarHBondContact ND2-OE2 3.31Å
176	T	38.6	Very low	41.6	Very low	74 Å²	74	107.6 Å²	107.6	45%	0.454	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.1	0.7	-161.7	36.2	0	0	0	0	114.8	E141 M159 T174	E141-T176 PolarHBondContact O-OG1 2.8Å; E141-T176 VanDerWaalsContact O-OG1 3.12Å; M159-T176 WeakPolarHBondContact CE-OG1 3.49Å; T174-T176 PolarHBondContact O-N 2.95Å
177	Q	40.2	Very low	38.9	Very low	95 Å²	95	116.2 Å²	116.2	44%	0.444	60%	0.595	S	S	.	*			trans	-70.6	126.5	177.5	-70.9	-172.8	0.5	0	0	112.7	M159 V164 K179	M159-Q177 HydrophobicContact CE-CG 4.36Å; M159-Q177 HydrophobicContact CG-CG 4.18Å; M159-Q177 HydrophobicContact SD-CG 3.67Å; V164-Q177 VanDerWaalsContact CG2-NE2 3.3Å; Q177-K179 PolarHBondContact O-N 3.23Å
178	P	32.1	Very low	36.5	Very low	79 Å²	79	119 Å²	119	51%	0.513	62%	0.616	S	S	.	*			trans	-76.1	94.3	176.2	31.1	-33.7	0	0	0	111	N160 M180	N160-P178 HydrophobicContact CB-CG 4.49Å; P178-M180 PolarHBondContact O-N 2.85Å; P178-M180 VanDerWaalsContact O-N 3.17Å
179	K	31.8	Very low	34.7	Very low	194 Å²	194	126 Å²	126	84%	0.843	65%	0.645	S	S	*	*			trans	-59.8	119.2	169.7	-76.6	-175.2	175.1	179.5	0	110.2	Q177 Q181	Q177-K179 PolarHBondContact O-N 3.23Å; K179-Q181 PolarHBondContact O-N 2.79Å
180	M	27.6	Very low	33.1	Very low	164 Å²	164	130.8 Å²	130.8	81%	0.808	67%	0.668	S	S	*	*			trans	-61.9	110.8	177.2	-167.5	-178.2	-165.9	0	0	109.8	P178 F182	P178-M180 PolarHBondContact O-N 2.85Å; P178-M180 VanDerWaalsContact O-N 3.17Å; M180-F182 PolarHBondContact O-N 2.9Å; M180-F182 VanDerWaalsContact O-N 3.15Å
181	Q	24.3	Very low	32.1	Very low	169 Å²	169	131.8 Å²	131.8	79%	0.79	67%	0.674	S	S	*	*			trans	-69.5	111.9	171.7	-70.7	-172.3	-3.5	0	0	108.6	K179 V183	K179-Q181 PolarHBondContact O-N 2.79Å; Q181-V183 HydrophobicContact CB-CG2 4.48Å; Q181-V183 PolarHBondContact O-N 2.8Å
182	F	28.9	Very low	32.1	Very low	159 Å²	159	138.3 Å²	138.3	70%	0.697	70%	0.7	S	S	*	*			trans	-65.1	84.5	165.4	-86.3	-87.1	0	0	0	109.6	M180 Y184	M180-F182 PolarHBondContact O-N 2.9Å; M180-F182 VanDerWaalsContact O-N 3.15Å; F182-Y184 HydrophobicContact CB-CD2 4.06Å; F182-Y184 HydrophobicContact CB-CE2 3.86Å; F182-Y184 HydrophobicContact CD1-CE2 4.46Å; F182-Y184 HydrophobicContact CG-CE2 4.4Å; F182-Y184 PolarHBondContact O-N 3.27Å
183	V	25	Very low	31.8	Very low	114 Å²	114	139.6 Å²	139.6	69%	0.691	71%	0.708	S	S	*	*			trans	-71.2	80	164	-174.9	0	0	0	0	107.3	Q181 S185	Q181-V183 HydrophobicContact CB-CG2 4.48Å; Q181-V183 PolarHBondContact O-N 2.8Å; V183-S185 VanDerWaalsContact C-N 3.3Å; V183-S185 PolarHBondContact O-N 2.67Å
184	Y	26.7	Very low	31.5	Very low	183 Å²	183	139.1 Å²	139.1	72%	0.718	72%	0.718	S	S	*	*			trans	-55.7	99.5	162.2	-75.3	-79.4	0	0	0	107.6	F182 N186	F182-Y184 HydrophobicContact CB-CD2 4.06Å; F182-Y184 HydrophobicContact CB-CE2 3.86Å; F182-Y184 HydrophobicContact CD1-CE2 4.46Å; F182-Y184 HydrophobicContact CG-CE2 4.4Å; F182-Y184 PolarHBondContact O-N 3.27Å; Y184-N186 PolarHBondContact O-N 3.33Å
185	S	25.6	Very low	31.3	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	74%	0.744	S	S	*	*			trans	-61	105.3	174.8	-78.1	0	0	0	0	108.1	V183 R187	V183-S185 VanDerWaalsContact C-N 3.3Å; V183-S185 PolarHBondContact O-N 2.67Å; S185-R187 PolarHBondContact O-N 3.49Å
186	N	26.7	Very low	30.8	Very low	163 Å²	163	148 Å²	148	87%	0.872	75%	0.747	S	S	*	*			trans	-66.9	75.8	-179.6	-96.2	-32.4	0	0	0	110.7	Y184	Y184-N186 PolarHBondContact O-N 3.33Å
187	R	28.3	Very low	30.6	Very low	227 Å²	227	151.1 Å²	151.1	86%	0.857	77%	0.766	S	S	*	*			trans	-106.6	41	170.7	-158.5	174	-107.9	-132.7	-0.7	110.2	S185 K189	S185-R187 PolarHBondContact O-N 3.49Å; R187-K189 PolarHBondContact O-N 3.44Å
188	S	32.3	Very low	30.1	Very low	110 Å²	110	157 Å²	157	77%	0.769	79%	0.785	S	S	*	*			trans	-58.1	133.7	162.5	-170.6	0	0	0	0	108.4
189	K	37.4	Very low	30.2	Very low	173 Å²	173	158.3 Å²	158.3	75%	0.752	80%	0.796	S	S	*	*			trans	-85.1	131.4	-170.4	-62.3	173	-177.2	172.6	0	109.6	R187 C191	R187-K189 PolarHBondContact O-N 3.44Å; K189-C191 VanDerWaalsContact C-N 3.3Å; K189-C191 PolarHBondContact O-N 3.3Å
190	N	29.9	Very low	30.5	Very low	172 Å²	172	158.3 Å²	158.3	92%	0.92	80%	0.799	S	S	*	*			trans	-64.7	91.8	162.7	-80.3	-11.3	0	0	0	109.1
191	C	29.8	Very low	31	Very low	103 Å²	103	155.6 Å²	155.6	70%	0.696	79%	0.793	S	S	*	*			trans	-138.4	104.5	173.7	-64.2	0	0	0	0	107.8	K189	K189-C191 VanDerWaalsContact C-N 3.3Å; K189-C191 PolarHBondContact O-N 3.3Å
192	I	36.8	Very low	31.4	Very low	165 Å²	165	152.4 Å²	152.4	85%	0.846	79%	0.79	S	S	*	*			trans	-79.1	151.2	-176	-67	172.6	0	0	0	110.5
193	N	28.3	Very low	31.6	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	79%	0.794	S	S	*	*			trans	-52.9	136.1	178.7	-58.6	-41.1	0	0	0	113.8
194	T	32.2	Very low	31.9	Very low	144 Å²	144	158.7 Å²	158.7	88%	0.883	80%	0.802	S	S	*	*			trans	-136.8	143.7	145.6	-64.9	0	0	0	0	108.4
195	I	35.5	Very low	32.3	Very low	157 Å²	157	159.6 Å²	159.6	81%	0.805	81%	0.81	S	S	*	*			trans	-89.7	156.4	-165.3	-66.9	170.1	0	0	0	112.1
196	R	28.2	Very low	32.8	Very low	211 Å²	211	164 Å²	164	80%	0.796	82%	0.815	S	S	*	*			trans	-58.9	143.1	177	-60	173.3	173.5	-175.5	-3.1	113.6
197	T	34.9	Very low	33.3	Very low	139 Å²	139	162 Å²	162	85%	0.853	81%	0.812	S	S	*	*			trans	-144.4	143	134.6	36.2	0	0	0	0	109.8
198	Y	29.2	Very low	33.6	Very low	217 Å²	217	158 Å²	158	85%	0.851	81%	0.812	S	S	*	*			trans	-104.2	128.9	172.5	-82.2	-100.9	0	0	0	109.3
199	S	35.2	Very low	33.6	Very low	108 Å²	108	158.6 Å²	158.6	76%	0.755	81%	0.813	S	S	*	*			trans	-161.5	89.8	167.8	58.9	0	0	0	0	113.8
200	H	37.3	Very low	33.4	Very low	194 Å²	194	157.8 Å²	157.8	90%	0.898	82%	0.817	S	S	*	*			trans	52.7	151.9	156.6	-93.6	-108.7	0	0	0	122.3
201	P	38.3	Very low	33.6	Very low	106 Å²	106	155.7 Å²	155.7	69%	0.688	81%	0.812	S	S	*	*			trans	-103.5	155.5	-178.6	38.8	-33.1	0	0	0	114.2
202	S	32.3	Very low	33.7	Very low	103 Å²	103	159.2 Å²	159.2	72%	0.72	82%	0.816	S	S	*	*			trans	175.1	167.6	133	-82.5	0	0	0	0	115.1
203	F	33.8	Very low	33.6	Very low	180 Å²	180	159.3 Å²	159.3	79%	0.789	82%	0.816	S	S	*	*			trans	76.2	84	159	-66	-66.1	0	0	0	122.7
204	R	31.8	Very low	33.6	Very low	224 Å²	224	158 Å²	158	85%	0.845	81%	0.808	S	S	*	*				36.5	120.7	121.3	-59.6	-176.2	-178.2	-158.5	1.9	120.6
205	K	35.1	Very low	33.5	Very low	203 Å²	203	157.9 Å²	157.9	88%	0.883	80%	0.802	S	S	*	*			trans	155.8	142.9	136.6	-84.5	150.3	-173.5	176.2	0	108.3
206	K	36	Very low	33.4	Very low	195 Å²	195	159.5 Å²	159.5	85%	0.848	81%	0.806	S	S	*	*			cis	-154.3	153.4	-21.2	-106.9	-170.5	178	-174.1	0	106.3
207	P	35.8	Very low	33.4	Very low	123 Å²	123	155.1 Å²	155.1	80%	0.799	81%	0.808	S	S	*	*			trans	-93.2	164.3	-173.3	36.8	-36.3	0	0	0	115.1
208	V	35.5	Very low	33	Very low	141 Å²	141	152.5 Å²	152.5	86%	0.855	80%	0.8	S	S	*	*			trans	-135.4	143.8	171	178	0	0	0	0	108.1
209	P	33.1	Very low	33	Very low	123 Å²	123	148.3 Å²	148.3	80%	0.799	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103	163.7	-151.2	38.7	-36.6	0	0	0	117.5
210	L	33.2	Very low	32.7	Very low	157 Å²	157	150 Å²	150	82%	0.822	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-94.4	148.1	170.1	-70.2	165.3	0	0	0	112.4
211	P	33.2	Very low	32.2	Very low	127 Å²	127	152 Å²	152	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.2	153.5	154.1	-12	28.9	0	0	0	111.4
212	K	32.2	Very low	31.7	Very low	178 Å²	178	154 Å²	154	77%	0.774	81%	0.805	S	S	*	*			trans	-121.6	135.4	-176.6	-57.2	174.4	-176.4	174.3	0	112.8
213	I	34.1	Very low	31.4	Very low	166 Å²	166	157 Å²	157	85%	0.851	81%	0.807	S	S	*	*			trans	-146.3	114.3	152.7	-65.9	-174.9	0	0	0	104
214	I	29.6	Very low	31.4	Very low	122 Å²	122	154.1 Å²	154.1	63%	0.626	80%	0.804	S	S	*	*			cis	73.6	114.4	42.3	-57.2	179.2	0	0	0	111.7
215	N	28.7	Very low	31.2	Very low	141 Å²	141	149.7 Å²	149.7	75%	0.754	80%	0.797	S	S	*	*			cis	-163.9	-179.4	-4	-116.7	1.1	0	0	0	110.3
216	Q	34	Very low	30.9	Very low	192 Å²	192	150 Å²	150	90%	0.897	79%	0.794	S	S	*	*			trans	81.5	145.7	170.7	-46.9	-164.7	28.5	0	0	116
217	S	28.7	Very low	30.5	Very low	119 Å²	119	146.7 Å²	146.7	83%	0.832	79%	0.791	S	S	*	*			trans	-162.8	122.7	-144.7	54	0	0	0	0	114.9
218	A	26	Very low	30.2	Very low	84 Å²	84	148.3 Å²	148.3	69%	0.694	79%	0.792	S	S	*	*			trans	-153.6	112.3	157	0	0	0	0	0	109.1	N220	A218-N220 PolarHBondContact O-N 2.86Å
219	P	28.7	Very low	29.7	Very low	128 Å²	128	145.8 Å²	145.8	83%	0.831	78%	0.78	S	S	*	*			trans	-84.3	89.7	178.2	32.6	-31.8	0	0	0	110.4
220	N	29.7	Very low	29.5	Very low	143 Å²	143	146 Å²	146	77%	0.765	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.1	166	-80	-17	0	0	0	110.1	A218 I222	A218-N220 PolarHBondContact O-N 2.86Å; N220-I222 PolarHBondContact O-N 3.31Å
221	Y	25.9	Very low	29.3	Very low	237 Å²	237	145 Å²	145	93%	0.929	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63	117.7	176.3	-86.6	-109.8	0	0	0	110
222	I	28.4	Very low	29	Very low	148 Å²	148	149.4 Å²	149.4	76%	0.759	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-88.4	134.6	179.8	-63	178.3	0	0	0	109.5	N220	N220-I222 PolarHBondContact O-N 3.31Å
223	H	26.6	Very low	28.7	Very low	165 Å²	165	147.3 Å²	147.3	76%	0.764	78%	0.778	S	S	*	*			trans	-45.8	139.7	172	-89.8	-87.3	0	0	0	112.8	N225	H223-N225 PolarHBondContact O-N 3Å
224	T	34	Very low	28.5	Very low	121 Å²	121	144.9 Å²	144.9	74%	0.742	78%	0.775	S	S	*	*			trans	-66.5	94.7	162.1	47.7	0	0	0	0	109.3	Y226	T224-Y226 PolarHBondContact O-N 2.89Å
225	N	27.4	Very low	28.8	Very low	130 Å²	130	145 Å²	145	70%	0.695	78%	0.782	S	S	*	*			trans	-60.6	106.1	177.9	-74.4	-50.3	0	0	0	111.2	H223 T227	H223-N225 PolarHBondContact O-N 3Å; N225-T227 PolarHBondContact O-N 2.71Å
226	Y	28	Very low	29.2	Very low	210 Å²	210	142.8 Å²	142.8	82%	0.824	78%	0.777	S	S	*	*			trans	-72.2	81	158.1	-76.1	-84.4	0	0	0	108.5	T224 L228	T224-Y226 PolarHBondContact O-N 2.89Å; Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.25Å
227	T	27.8	Very low	30.2	Very low	126 Å²	126	140.1 Å²	140.1	77%	0.773	77%	0.769	S	S	*	*			trans	-66.3	89.7	170.8	-55.6	0	0	0	0	108.7	N225 C229	N225-T227 PolarHBondContact O-N 2.71Å; T227-C229 PolarHBondContact O-N 3.34Å; T227-C229 VanDerWaalsContact O-N 3.15Å
228	L	30.2	Very low	31.9	Very low	156 Å²	156	138.7 Å²	138.7	82%	0.817	75%	0.751	S	S	*	*			trans	-57	119	170.4	-132	80.3	0	0	0	107.8	Y226 S230	Y226-L228 VanDerWaalsContact C-N 3.26Å; Y226-L228 PolarHBondContact O-N 3.25Å; L228-S230 PolarHBondContact O-N 3.14Å
229	C	25.1	Very low	34.3	Very low	89 Å²	89	136 Å²	136	60%	0.601	73%	0.727	S	S	*	*			trans	-71.9	121.4	175.1	-168.1	0	0	0	0	108.1	T227 Q231	T227-C229 PolarHBondContact O-N 3.34Å; T227-C229 VanDerWaalsContact O-N 3.15Å; C229-Q231 PolarHBondContact O-N 2.91Å
230	S	27.6	Very low	36.7	Very low	128 Å²	128	139.2 Å²	139.2	90%	0.895	73%	0.727	S	S	*	*			trans	-71.2	54.1	177.8	-55.8	0	0	0	0	113.1	L228	L228-S230 PolarHBondContact O-N 3.14Å
231	Q	29	Very low	39.3	Very low	135 Å²	135	137 Å²	137	63%	0.631	71%	0.708	S	S	*	*			trans	-88.8	137.3	162.5	-66.9	178.7	13.3	0	0	108.2	C229 L233	C229-Q231 PolarHBondContact O-N 2.91Å; Q231-L233 HydrophobicContact CB-CD1 3.56Å; Q231-L233 PolarHBondContact O-N 3.43Å
232	K	26.7	Very low	42	Very low	220 Å²	220	126.7 Å²	126.7	96%	0.957	67%	0.67	S	S	*	*			trans	-71.5	75.8	176	-69.2	-178.7	176.2	-179.7	0	110.6
233	L	26.8	Very low	43.9	Very low	134 Å²	134	125.5 Å²	125.5	70%	0.702	68%	0.675	S	S	*	*			trans	-87.5	121.6	166.3	-81.8	83	0	0	0	109.2	Q231	Q231-L233 HydrophobicContact CB-CD1 3.56Å; Q231-L233 PolarHBondContact O-N 3.43Å
234	S	30.3	Very low	45.6	Very low	114 Å²	114	127 Å²	127	80%	0.797	68%	0.679	S	S	*	*			trans	23.6	103.4	159.4	-55.4	0	0	0	0	116.9	C236	S234-C236 PolarHBondContact O-N 2.62Å
235	T	34.7	Very low	47	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	66%	0.655	S	S	*	*			trans	-43.4	125.9	165.3	46.7	0	0	0	0	110.8	N237	T235-N237 PolarHBondContact O-N 2.87Å
236	C	38.6	Very low	48.7	Very low	94 Å²	94	125.9 Å²	125.9	64%	0.635	66%	0.655	S	S	*	*			trans	-60.7	104	174.2	43.5	0	0	0	0	109.3	S234 L238	S234-C236 PolarHBondContact O-N 2.62Å; C236-L238 WeakPolarHBondContact O-CD1 3.42Å; C236-L238 PolarHBondContact O-N 3.44Å
237	N	53.6	Low	50.4	Low	137 Å²	137	117.5 Å²	117.5	73%	0.733	63%	0.626	S	S	*	*			trans	-69.5	99.5	172.2	-72	-38.5	0	0	0	107.7	T235	T235-N237 PolarHBondContact O-N 2.87Å
238	L	65.2	Low	51.8	Low	89 Å²	89	118 Å²	118	47%	0.466	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-57.3	137.5	168.8	-85	73.2	0	0	0	108.7	F117 C236	F117-L238 HydrophobicContact CE2-CD2 4.05Å; C236-L238 WeakPolarHBondContact O-CD1 3.42Å; C236-L238 PolarHBondContact O-N 3.44Å
239	P	75.7	Confident	53.1	Low	27 Å²	27	114.8 Å²	114.8	18%	0.175	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-61.1	153.1	168.7	28.7	-34.3	0	0	0	109.7	S142 W143 P158 R241	S142-P239 VanDerWaalsContact CB-CB 3.47Å; W143-P239 HydrophobicContact CZ2-CG 4.23Å; W143-P239 WeakPolarHBondContact CZ2-O 3.49Å; P158-P239 HydrophobicContact CB-CG 3.48Å; P158-P239 VanDerWaalsContact CB-CG 3.48Å; P239-R241 PolarHBondContact O-N 3.28Å
240	K	80.5	Confident	54.7	Low	195 Å²	195	111.5 Å²	111.5	85%	0.848	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.6	177.3	-69.1	-177.2	177.8	-180	0	109.5	W143	W143-K240 PolarHBondContact NE1-O 3.4Å
241	R	83.8	Confident	55.9	Low	97 Å²	97	111.9 Å²	111.9	37%	0.366	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-60.5	138.7	178.7	-167.1	-179.9	-172.9	-126.1	1.3	111.2	D122 D124 W143 I156 P239 S243	D122-R241 PolarHBondContact O-NH2 3.12Å; D124-R241 IonicContact OD1-CZ 3.27Å; D124-R241 IonicContact OD1-NE 2.85Å; D124-R241 PolarHBondContact OD1-NE 2.88Å; D124-R241 IonicContact OD1-NH2 2.67Å; D124-R241 PolarHBondContact OD1-NH2 3.04Å; D124-R241 IonicContact OD2-NE 3.46Å; D124-R241 PolarHBondContact OD2-NE 2.9Å; W143-R241 HydrophobicContact CH2-CB 4.3Å; W143-R241 HydrophobicContact CH2-CG 4.18Å; W143-R241 HydrophobicContact CZ2-CB 3.99Å; W143-R241 HydrophobicContact CZ2-CG 4.27Å; I156-R241 HydrophobicContact CD1-CG 4.08Å; P239-R241 PolarHBondContact O-N 3.28Å; R241-S243 PolarHBondContact O-N 3.34Å
242	P	81.2	Confident	56.6	Low	20 Å²	20	109.5 Å²	109.5	13%	0.13	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-71.3	126.7	-176.9	-14.4	29.9	0	0	0	111.2	V139 D140 W143 K244 I245	V139-P242 HydrophobicContact CG1-CB 4.04Å; V139-P242 HydrophobicContact CG1-CG 3.85Å; D140-P242 WeakPolarHBondContact OD2-CG 3.47Å; W143-P242 HydrophobicContact CB-CG 3.86Å; W143-P242 HydrophobicContact CD2-CG 4.17Å; W143-P242 HydrophobicContact CG-CG 3.63Å; P242-K244 VanDerWaalsContact C-N 3.32Å; P242-K244 PolarHBondContact O-N 2.85Å; P242-I245 HydrophobicContact CB-CD1 3.91Å; P242-I245 HydrophobicContact CB-CG1 4.34Å; P242-I245 HydrophobicContact CG-CD1 4Å
243	S	69.6	Low	57.1	Low	124 Å²	124	108.6 Å²	108.6	87%	0.867	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	2	-169.7	58.8	0	0	0	0	116	R241	R241-S243 PolarHBondContact O-N 3.34Å
244	K	61.3	Low	57.5	Low	195 Å²	195	111.3 Å²	111.3	85%	0.848	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	1.9	-173	-72.6	-177.3	177.1	175.2	0	115	P242 R246	P242-K244 VanDerWaalsContact C-N 3.32Å; P242-K244 PolarHBondContact O-N 2.85Å; K244-R246 PolarHBondContact O-N 2.67Å
245	I	63.5	Low	57.6	Low	43 Å²	43	115.2 Å²	115.2	22%	0.221	59%	0.59	C	S	.	*			trans	-78.4	123.1	-172.7	-60.7	165.5	0	0	0	110.2	V139 I156 P242 L250	V139-I245 HydrophobicContact CG1-CD1 4.14Å; V139-I245 HydrophobicContact CG1-CG1 4.32Å; I156-I245 HydrophobicContact CB-CD1 4.32Å; I156-I245 HydrophobicContact CD1-CD1 3.25Å; I156-I245 HydrophobicContact CG1-CD1 3.73Å; I156-I245 HydrophobicContact CG2-CD1 4Å; P242-I245 HydrophobicContact CB-CD1 3.91Å; P242-I245 HydrophobicContact CB-CG1 4.34Å; P242-I245 HydrophobicContact CG-CD1 4Å; I245-L250 HydrophobicContact CG2-CD1 3.7Å; I245-L250 HydrophobicContact CG2-CG 4.36Å
246	R	64.7	Low	57.4	Low	185 Å²	185	112.8 Å²	112.8	70%	0.698	59%	0.589	S	S	*	*			trans	-87.4	113	166.6	-69.8	-167.3	-178.3	102.8	-1.9	109.5	K244 D248 S249	K244-R246 PolarHBondContact O-N 2.67Å; R246-D248 PolarHBondContact O-N 2.85Å; R246-S249 WeakPolarHBondContact O-CB 3.28Å; R246-S249 PolarHBondContact O-N 2.86Å
247	V	62.5	Low	56.9	Low	35 Å²	35	114.5 Å²	114.5	21%	0.212	60%	0.602	C	S	.	*	G	3₁₀ helix	trans	-57	-35.8	177.9	-177.8	0	0	0	0	111.5	D122 S249 L250 K251	D122-V247 HydrophobicContact CB-CG1 4.12Å; D122-V247 HydrophobicContact CB-CG2 4.47Å; D122-V247 WeakPolarHBondContact O-CG2 3.2Å; V247-S249 PolarHBondContact O-N 2.9Å; V247-S249 VanDerWaalsContact O-N 3.13Å; V247-L250 WeakPolarHBondContact O-CB 3.33Å; V247-L250 PolarHBondContact O-N 3.45Å; V247-K251 HydrophobicContact CG1-CD 4.43Å; V247-K251 PolarHBondContact O-N 3.43Å
248	D	56.5	Low	56	Low	137 Å²	137	113.8 Å²	113.8	73%	0.733	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-59.9	-24.1	177	-39.1	-59.2	0	0	0	113.2	R246	R246-D248 PolarHBondContact O-N 2.85Å
249	S	58.8	Low	54.5	Low	88 Å²	88	114.8 Å²	114.8	62%	0.615	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-88.4	-6.7	177.2	-52.5	0	0	0	0	113.4	R246 V247	R246-S249 WeakPolarHBondContact O-CB 3.28Å; R246-S249 PolarHBondContact O-N 2.86Å; V247-S249 PolarHBondContact O-N 2.9Å; V247-S249 VanDerWaalsContact O-N 3.13Å
250	L	58.6	Low	52.2	Low	20 Å²	20	121.4 Å²	121.4	11%	0.105	66%	0.656	C	S	.	*	T	Hydrogen-bonded Turn	trans	-97.8	-30.6	174	-61.4	177.7	0	0	0	112.3	G123 K145 I245 V247 A252	G123-L250 WeakPolarHBondContact O-CD1 3.45Å; K145-L250 HydrophobicContact CD-CD2 4.03Å; K145-L250 VanDerWaalsContact CE-CD2 3.47Å; I245-L250 HydrophobicContact CG2-CD1 3.7Å; I245-L250 HydrophobicContact CG2-CG 4.36Å; V247-L250 WeakPolarHBondContact O-CB 3.33Å; V247-L250 PolarHBondContact O-N 3.45Å; L250-A252 PolarHBondContact O-N 2.97Å
251	K	51.9	Low	50	Low	136 Å²	136	117.1 Å²	117.1	59%	0.591	65%	0.651	S	S	*	*			trans	-77	67.1	178.3	-72.1	179.2	179.3	167.4	0	112.4	D122 V247 K253	D122-K251 VanDerWaalsContact CG-NZ 3.29Å; D122-K251 VanDerWaalsContact OD1-CE 3.22Å; D122-K251 WeakPolarHBondContact OD1-CE 3.46Å; D122-K251 IonicContact OD1-NZ 2.94Å; D122-K251 PolarHBondContact OD1-NZ 3.24Å; D122-K251 IonicContact OD2-NZ 3.83Å; D122-K251 PolarHBondContact OD2-NZ 3.02Å; V247-K251 HydrophobicContact CG1-CD 4.43Å; V247-K251 PolarHBondContact O-N 3.43Å; K251-K253 PolarHBondContact O-N 2.94Å
252	A	44.2	Very low	47.5	Very low	84 Å²	84	118.7 Å²	118.7	69%	0.694	67%	0.671	S	S	*	*			trans	-86.9	98.1	-178.7	0	0	0	0	0	113.5	L250	L250-A252 PolarHBondContact O-N 2.97Å
253	K	37.4	Very low	45.1	Very low	201 Å²	201	126.6 Å²	126.6	87%	0.874	71%	0.707	S	S	*	*			trans	51.1	92	158.1	-60.1	-178.3	-180	-178.9	0	117.2	K251	K251-K253 PolarHBondContact O-N 2.94Å
254	H	35.4	Very low	43.3	Very low	192 Å²	192	126.4 Å²	126.4	89%	0.889	71%	0.705	S	S	*	*			trans	-135.7	37	162.9	-152.5	-69	0	0	0	113.6
255	E	31.2	Very low	41.8	Very low	196 Å²	196	124.4 Å²	124.4	92%	0.916	70%	0.703	S	S	*	*			trans	-106.7	111.2	167.8	-68.3	-166.6	168.8	0	0	110
256	G	31.5	Very low	40.4	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	74%	0.735	S	S	*	*			trans	-80.3	137.3	172.1	0	0	0	0	0	110.7	S258	G256-S258 PolarHBondContact O-N 3.45Å
257	S	27.8	Very low	38.7	Very low	130 Å²	130	125.8 Å²	125.8	91%	0.909	73%	0.732	S	S	*	*			trans	-57.9	120.5	179.4	51.8	0	0	0	0	112.7
258	S	33.9	Very low	37.4	Very low	122 Å²	122	132.8 Å²	132.8	85%	0.853	76%	0.762	S	S	*	*			trans	-109.5	165.1	160.7	77.9	0	0	0	0	110.7	G256	G256-S258 PolarHBondContact O-N 3.45Å
259	S	35.2	Very low	36	Very low	111 Å²	111	132 Å²	132	78%	0.776	76%	0.763	S	S	*	*			trans	-90.7	151.4	-153.8	53.8	0	0	0	0	116.3
260	N	27.8	Very low	34.9	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	77%	0.772	S	S	*	*			trans	-39.1	134.4	170.3	-55.9	-26.7	0	0	0	115.5
261	S	34.2	Very low	33.4	Very low	104 Å²	104	140.3 Å²	140.3	73%	0.727	81%	0.805	S	S	*	*			trans	-157.4	109.2	145.7	56.7	0	0	0	0	113.2
262	T	31.6	Very low	32.7	Very low	130 Å²	130	139.6 Å²	139.6	80%	0.798	82%	0.817	S	S	*	*			trans	42.4	115.3	144.3	54.9	0	0	0	0	121.4
263	E	28.8	Very low	32.1	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	82%	0.82	S	S	*	*			trans	-0.8	133.2	140.1	-54	177.2	137.6	0	0	119.4
264	S	33.1	Very low	32	Very low	120 Å²	120	140 Å²	140	84%	0.839	82%	0.815	S	S	*	*				-154.1	145.7	128.8	52.1	0	0	0	0	110.3
265	L	29.6	Very low	31.8	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	81%	0.809	S	S	*	*			trans	-85.2	150.9	-178.4	-59.3	84.6	0	0	0	111
266	N	33	Very low	31.7	Very low	168 Å²	168	132.6 Å²	132.6	90%	0.898	80%	0.795	S	S	*	*				-164.7	163.6	115.4	-103.2	-38.1	0	0	0	114
267	S	30.1	Very low	31.8	Very low	89 Å²	89	138.3 Å²	138.3	62%	0.622	80%	0.799	S	S	*	*			trans	-116	147.1	-163.2	54.4	0	0	0	0	114.9
268	Q	35.4	Very low	31.7	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	79%	0.792	S	S	*	*			trans	-169	121.1	140.1	-99.9	143.8	76.4	0	0	107.3
269	T	27.1	Very low	31.8	Very low	121 Å²	121	136.9 Å²	136.9	74%	0.742	79%	0.786	S	S	*	*				60.1	114.6	69.9	-38.4	0	0	0	0	110
270	T	35	Very low	31.4	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	78%	0.784	S	S	*	*				-144	175.8	52.8	45.3	0	0	0	0	114.9
271	N	28.2	Very low	31.6	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	78%	0.782	S	S	*	*			trans	-90.9	151.2	-179.4	-55	-70.1	0	0	0	114.2
272	S	37	Very low	31.2	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	78%	0.784	S	S	*	*			trans	-149.4	134.9	136.6	56.9	0	0	0	0	110.9
273	L	30.2	Very low	31.3	Very low	145 Å²	145	143.8 Å²	143.8	76%	0.759	79%	0.791	S	S	*	*			trans	-99.3	155.2	178.5	-79	69	0	0	0	110
274	L	36	Very low	31.3	Very low	147 Å²	147	140.7 Å²	140.7	77%	0.77	79%	0.785	S	S	*	*				173.3	127	115.1	-93.9	162.4	0	0	0	113.5
275	N	31.7	Very low	31.2	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	79%	0.787	S	S	*	*			trans	61.4	158	153	-71.4	-19.1	0	0	0	117.9
276	C	28.9	Very low	31.2	Very low	91 Å²	91	141.1 Å²	141.1	62%	0.615	78%	0.783	S	S	*	*			cis	-165.8	159.7	-11.4	-113.9	0	0	0	0	107.1
277	K	32.9	Very low	31.3	Very low	193 Å²	193	140 Å²	140	84%	0.839	78%	0.777	S	S	*	*			cis	-164	150.6	-7.2	-143.5	170.6	-163.9	166.7	0	108.7
278	S	26.2	Very low	31.2	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	78%	0.782	S	S	*	*			trans	-145	134.6	163.5	50.4	0	0	0	0	110.2
279	P	35.7	Very low	31.1	Very low	114 Å²	114	145 Å²	145	74%	0.74	78%	0.782	S	S	*	*			trans	-97.3	124.2	-175.4	34.4	-31	0	0	0	113.1	Y281	P279-Y281 HydrophobicContact CB-CE2 4.38Å
280	T	26.5	Very low	31.3	Very low	118 Å²	118	149.4 Å²	149.4	72%	0.724	79%	0.785	S	S	*	*			trans	-99.8	138.6	164.9	-53.9	0	0	0	0	109.3
281	Y	31.7	Very low	31	Very low	217 Å²	217	148.1 Å²	148.1	85%	0.851	78%	0.777	S	S	*	*			trans	-120.3	116	166	-76.1	-79.2	0	0	0	110.3	P279	P279-Y281 HydrophobicContact CB-CE2 4.38Å
282	N	27.2	Very low	31.1	Very low	142 Å²	142	146.2 Å²	146.2	76%	0.759	77%	0.774	S	S	*	*			trans	-87.1	152.4	165.8	-68.1	-38.4	0	0	0	109.4
283	L	32.5	Very low	30.7	Very low	180 Å²	180	145.6 Å²	145.6	94%	0.942	77%	0.765	S	S	*	*			trans	-149.4	135.5	140.6	-142	73	0	0	0	110.6
284	T	28.8	Very low	30.7	Very low	122 Å²	122	144.7 Å²	144.7	75%	0.748	77%	0.766	S	S	*	*			trans	-100.8	146.4	178.2	47.9	0	0	0	0	110.3
285	N	30.8	Very low	30.8	Very low	166 Å²	166	144.2 Å²	144.2	89%	0.888	77%	0.771	S	S	*	*			trans	-153.4	157.2	143.1	-129.3	-2.1	0	0	0	111.7
286	T	30	Very low	30.8	Very low	115 Å²	115	145 Å²	145	71%	0.706	78%	0.775	S	S	*	*			trans	-133.7	136.8	-170.1	-53.1	0	0	0	0	109.2
287	D	35.3	Very low	30.9	Very low	145 Å²	145	145 Å²	145	78%	0.775	78%	0.776	S	S	*	*			trans	177.2	122.4	147	-91.4	-23.4	0	0	0	107.6
288	Q	29.1	Very low	31	Very low	156 Å²	156	142.3 Å²	142.3	73%	0.729	78%	0.776	S	S	*	*				75.8	123.1	72	-71.9	-90	13.2	0	0	113.2
289	Y	32.5	Very low	31.3	Very low	220 Å²	220	141.5 Å²	141.5	86%	0.863	77%	0.77	S	S	*	*			trans	122.6	138.2	166	-70.2	-65.6	0	0	0	114.2
290	R	30.2	Very low	31.2	Very low	214 Å²	214	143.7 Å²	143.7	81%	0.808	78%	0.775	S	S	*	*			cis	-169.3	139.6	-41.5	-140.1	-162.8	173.8	-149.6	2.6	110.9
291	V	29.1	Very low	31.9	Very low	104 Å²	104	143.4 Å²	143.4	63%	0.63	78%	0.775	S	S	*	*			trans	65.3	154.3	159.1	-137.9	0	0	0	0	120.9
292	C	30	Very low	31.9	Very low	110 Å²	110	138.4 Å²	138.4	74%	0.743	77%	0.767	S	S	*	*			trans	91.6	126.5	155.9	-62.1	0	0	0	0	119.3
293	T	29.3	Very low	32.4	Very low	109 Å²	109	139 Å²	139	67%	0.669	77%	0.77	S	S	*	*			cis	-179.3	145	-46.7	26.9	0	0	0	0	109.3
294	T	31	Very low	32.3	Very low	126 Å²	126	136.6 Å²	136.6	77%	0.773	76%	0.758	S	S	*	*			trans	62.8	147.7	169.5	60.2	0	0	0	0	117.3
295	P	36.9	Very low	32.7	Very low	136 Å²	136	139.1 Å²	139.1	88%	0.883	77%	0.766	S	S	*	*				-112.8	179.2	94	35.5	-37.3	0	0	0	114
296	L	33	Very low	32.9	Very low	160 Å²	160	138.5 Å²	138.5	84%	0.838	76%	0.762	S	S	*	*			trans	-113	161.8	-161.9	-169.8	59	0	0	0	114.1
297	S	30.1	Very low	33.4	Very low	89 Å²	89	138.5 Å²	138.5	62%	0.622	76%	0.764	S	S	*	*			trans	-73	154.9	-174.8	53.8	0	0	0	0	116.8
298	T	34.7	Very low	33.5	Very low	137 Å²	137	136.4 Å²	136.4	84%	0.84	76%	0.761	S	S	*	*			trans	162.5	172.5	134.1	36.5	0	0	0	0	111.2
299	S	32.6	Very low	33.8	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	77%	0.769	S	S	*	*				-175.6	147.2	-90.9	52.1	0	0	0	0	112.2
300	L	34.6	Very low	33.9	Very low	159 Å²	159	136.5 Å²	136.5	83%	0.832	77%	0.768	S	S	*	*			trans	72.8	164.1	168.9	-54.8	173.3	0	0	0	117.2
301	P	40	Very low	34	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	77%	0.771	S	S	*	*			cis	-130.5	149	-15.8	22.5	0.2	0	0	0	117
302	V	32.5	Very low	34.4	Very low	112 Å²	112	137.1 Å²	137.1	68%	0.679	78%	0.783	S	S	*	*			trans	20.5	129	132.3	-176.4	0	0	0	0	120.7
303	N	37.4	Very low	34.4	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	78%	0.78	S	S	*	*				-157.9	157.3	127.9	-113.2	-40.6	0	0	0	115.3
304	N	30.6	Very low	34.9	Very low	128 Å²	128	137 Å²	137	68%	0.684	78%	0.783	S	S	*	*			trans	-91.1	157.8	-163.4	-51.7	-68.9	0	0	0	114.8
305	L	36.5	Very low	35.1	Very low	176 Å²	176	139.8 Å²	139.8	92%	0.921	78%	0.784	S	S	*	*				176.9	153.2	110.9	-92.7	163.5	0	0	0	113.1
306	L	36.2	Very low	35	Very low	152 Å²	152	138.9 Å²	138.9	80%	0.796	78%	0.778	S	S	*	*			trans	-150.4	135.1	-173.3	-141.8	172.3	0	0	0	111
307	P	39.8	Very low	35	Very low	115 Å²	115	141.2 Å²	141.2	75%	0.747	78%	0.782	S	S	*	*			trans	-144.3	168.2	137.4	36.5	-21.3	0	0	0	112.6
308	S	38	Very low	35.1	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	78%	0.778	S	S	*	*			cis	-163.7	118.4	-18.8	49	0	0	0	0	109.3
309	R	35	Very low	35.1	Very low	238 Å²	238	142.4 Å²	142.4	90%	0.898	78%	0.777	S	S	*	*				47.3	108.1	108	-173.7	-173.6	-176.6	169.4	3.3	117
310	V	35.4	Very low	35.2	Very low	139 Å²	139	143.2 Å²	143.2	84%	0.842	78%	0.782	S	S	*	*				-140.1	143.7	124.3	-179.6	0	0	0	0	108.2
311	Q	32.4	Very low	34.9	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	78%	0.78	S	S	*	*			trans	-135.2	150.2	170.5	-82.7	-172.3	-29.1	0	0	109.1
312	V	36.3	Very low	34.7	Very low	145 Å²	145	142.3 Å²	142.3	88%	0.879	78%	0.781	S	S	*	*			trans	-137	138.5	153.8	-178.4	0	0	0	0	108.3
313	S	30.9	Very low	34.9	Very low	99 Å²	99	146.2 Å²	146.2	69%	0.692	79%	0.789	S	S	*	*			trans	-98.6	172.7	177.5	-150.9	0	0	0	0	109.4
314	T	39.1	Very low	34.8	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.724	79%	0.785	S	S	*	*				-169.7	137.5	67.7	44.7	0	0	0	0	114.5
315	K	34.6	Very low	35.5	Very low	185 Å²	185	143.3 Å²	143.3	80%	0.804	79%	0.788	S	S	*	*			trans	51.7	127.4	134.9	-58.7	-179.5	178.9	-177.9	0	121.5
316	P	35.9	Very low	35.5	Very low	117 Å²	117	140 Å²	140	76%	0.76	78%	0.779	S	S	*	*			trans	-91.2	159.5	156.2	37.5	-32.8	0	0	0	112.6
317	F	33.5	Very low	35.3	Very low	209 Å²	209	137.5 Å²	137.5	92%	0.917	78%	0.775	S	S	*	*			trans	-160.3	-179.1	157.6	-117.9	-78.7	0	0	0	111.4
318	S	32.3	Very low	35.1	Very low	77 Å²	77	139.8 Å²	139.8	54%	0.538	78%	0.78	S	S	.	*			trans	-134.1	175.8	-149	50.8	0	0	0	0	117.1
319	H	34.5	Very low	34.8	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.806	78%	0.783	S	S	*	*			trans	103.7	150.8	155	-64.7	-67.6	0	0	0	122.1
320	S	33.4	Very low	34.8	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	78%	0.782	S	S	*	*			trans	63.4	120.6	173.3	-72.3	0	0	0	0	117.9
321	T	29.8	Very low	34.5	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	78%	0.784	S	S	*	*			cis	74.9	115.6	41.5	-54.4	0	0	0	0	113.7
322	V	34.3	Very low	34.5	Very low	123 Å²	123	139.7 Å²	139.7	75%	0.745	78%	0.784	S	S	*	*			trans	-172.3	124.8	135.1	135.5	0	0	0	0	112.9
323	K	36.8	Very low	34.3	Very low	194 Å²	194	141.7 Å²	141.7	84%	0.843	78%	0.783	S	S	*	*			trans	52.3	125.4	150.3	-60	176.3	-175.6	176.7	0	122.3
324	S	36.2	Very low	34.6	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	80%	0.795	S	S	*	*			trans	-79.8	-180	147	55.2	0	0	0	0	111.4
325	P	44.4	Very low	34.7	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	80%	0.796	S	S	*	*				-144.4	169.2	99.1	39.2	-24.8	0	0	0	116.9
326	S	35.9	Very low	35.1	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	80%	0.796	S	S	*	*			trans	-40.4	161.3	153.1	44.4	0	0	0	0	115
327	S	34	Very low	35.5	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	80%	0.8	S	S	*	*			cis	-178.1	163.3	0.7	41.9	0	0	0	0	109.5
328	L	35.1	Very low	36.2	Very low	164 Å²	164	139.1 Å²	139.1	86%	0.859	79%	0.794	S	S	*	*				-179.2	167.3	124.1	-99.1	165.4	0	0	0	112.5
329	Q	30.6	Very low	37.2	Very low	167 Å²	167	141.8 Å²	141.8	78%	0.78	81%	0.807	S	S	*	*			trans	-96.7	157	179.7	-57.4	164.2	-53.8	0	0	111.2
330	I	34.7	Very low	38	Very low	171 Å²	171	138.8 Å²	138.8	88%	0.877	80%	0.803	S	S	*	*				172.8	150.9	121	-89.2	157.4	0	0	0	110.9
331	K	29.7	Very low	39.2	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	80%	0.803	S	S	*	*			trans	-68.3	141.1	178.5	-60.9	169.2	175.9	175	0	112.9
332	S	33.7	Very low	40.5	Very low	124 Å²	124	138.6 Å²	138.6	87%	0.867	80%	0.802	S	S	*	*			trans	-155.5	159.7	132.3	56.9	0	0	0	0	111
333	Q	30.8	Very low	41.4	Very low	186 Å²	186	138.4 Å²	138.4	87%	0.869	80%	0.803	S	S	*	*			trans	-94	150.5	-168.9	-55.1	171	67	0	0	111.9
334	L	37.1	Very low	42.2	Very low	181 Å²	181	134.6 Å²	134.6	95%	0.948	80%	0.798	S	S	*	*			trans	-171.4	144.3	134.8	-101.3	152.1	0	0	0	109.2
335	A	42.6	Very low	43.1	Very low	89 Å²	89	135.1 Å²	135.1	74%	0.736	80%	0.799	S	S	*	*			trans	-128.1	152.3	-165.8	0	0	0	0	0	113.4
336	P	41.4	Very low	43.3	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-86.6	155.3	163	34.9	-31.6	0	0	0	112
337	N	44.4	Very low	43.4	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.2	146.6	-170	-76	-37.6	0	0	0	115.3
338	P	47.9	Very low	43.4	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.3	145.1	159.4	34.2	-32.8	0	0	0	111.7
339	T	54.4	Low	43.5	Very low	134 Å²	134	134.9 Å²	134.9	82%	0.822	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81.5	139.1	174.4	-42.2	0	0	0	0	110.6
340	P	51.4	Low	43.5	Very low	110 Å²	110	133.4 Å²	133.4	71%	0.714	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.9	151.9	-178.4	29.8	-36.1	0	0	0	113.4
341	P	58.3	Low	43.5	Very low	117 Å²	117	131 Å²	131	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.4	160.2	174.9	33.4	-35.9	0	0	0	112.7
342	P	58.2	Low	43.6	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.2	156.8	174.4	30.9	-35.7	0	0	0	112.7
343	P	51.9	Low	43.9	Very low	118 Å²	118	128.8 Å²	128.8	77%	0.766	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-76.4	154.2	-178.1	32	-36.1	0	0	0	113.2
344	P	52.8	Low	44	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-77.6	157.3	177	33	-35.9	0	0	0	112.8
345	P	56.2	Low	43.9	Very low	117 Å²	117	126.4 Å²	126.4	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.9	152.7	172.5	30.6	-35.3	0	0	0	112
346	P	48.4	Very low	43.3	Very low	132 Å²	132	130.2 Å²	130.2	86%	0.857	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.3	129.4	-175.9	29.2	-34.7	0	0	0	112.5
347	S	38.9	Very low	42.9	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.9	131.9	174.8	49.1	0	0	0	0	112	S349	S347-S349 PolarHBondContact O-N 2.82Å
348	S	33.6	Very low	42.2	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	79%	0.788	S	S	*	*			trans	-78.2	110	174.7	55.9	0	0	0	0	111.3
349	S	37	Very low	41.4	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	79%	0.792	S	S	*	*			trans	-82.2	114.6	173.6	56.3	0	0	0	0	111.7	S347	S347-S349 PolarHBondContact O-N 2.82Å
350	T	29.3	Very low	40.4	Very low	137 Å²	137	138.5 Å²	138.5	84%	0.84	80%	0.797	S	S	*	*			trans	-70	129.8	162.1	41.5	0	0	0	0	110.7
351	S	36.4	Very low	39.4	Very low	121 Å²	121	140.7 Å²	140.7	85%	0.846	80%	0.801	S	S	*	*			trans	-111.9	118.3	158	-67.5	0	0	0	0	108.9
352	T	31.4	Very low	38.3	Very low	111 Å²	111	140.5 Å²	140.5	68%	0.681	80%	0.8	S	S	*	*			trans	-76.7	144.4	168.5	-51	0	0	0	0	109
353	D	39	Very low	37.1	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	80%	0.804	S	S	*	*			trans	-141.3	143.1	147.9	-117.1	-37.2	0	0	0	110.7
354	H	33.1	Very low	36.1	Very low	144 Å²	144	144.2 Å²	144.2	67%	0.667	80%	0.803	S	S	*	*			trans	-92.2	149.2	-178	-87.6	-109.3	0	0	0	111.2
355	I	35.5	Very low	35	Very low	173 Å²	173	145 Å²	145	89%	0.887	81%	0.81	S	S	*	*				-158.5	150.3	127.7	-102.6	151.7	0	0	0	108.4
356	Q	29.2	Very low	33.8	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	82%	0.816	S	S	*	*			trans	-143.6	106.1	-160.4	173.4	-173.9	-8.8	0	0	110
357	E	33	Very low	33	Very low	171 Å²	171	145.5 Å²	145.5	80%	0.799	81%	0.812	S	S	*	*			trans	-142.7	105.8	173.5	-142.9	168.1	164.3	0	0	115.5
358	Q	31.3	Very low	32.9	Very low	160 Å²	160	145.5 Å²	145.5	75%	0.748	81%	0.809	S	S	*	*			trans	38.4	100.8	140	-51.2	-167.7	45.9	0	0	121.2
359	Q	29.4	Very low	32.7	Very low	182 Å²	182	145 Å²	145	85%	0.85	80%	0.804	S	S	*	*				39.4	110.1	122.1	-57.9	-178.1	39.8	0	0	120.1
360	Q	34.2	Very low	32.5	Very low	199 Å²	199	146.4 Å²	146.4	93%	0.93	81%	0.807	S	S	*	*				-152.6	153.6	125.9	-116.1	175.8	27.2	0	0	112
361	I	30.8	Very low	32.6	Very low	156 Å²	156	146.6 Å²	146.6	80%	0.8	80%	0.801	S	S	*	*			trans	-123.7	131.3	-171	-61.4	165.7	0	0	0	109.1
362	P	34.1	Very low	32.1	Very low	113 Å²	113	148.2 Å²	148.2	73%	0.734	80%	0.8	S	S	*	*				-147.8	114.9	129.6	32.4	-13.5	0	0	0	116.6
363	K	34.4	Very low	31.9	Very low	198 Å²	198	147 Å²	147	86%	0.861	80%	0.797	S	S	*	*			trans	74.1	159.1	133.6	-68.9	177.9	179.3	175.9	0	119.7
364	P	31.2	Very low	31.5	Very low	115 Å²	115	147.9 Å²	147.9	75%	0.747	80%	0.8	S	S	*	*			trans	-110	165	-151.9	40.6	-33.7	0	0	0	115.2
365	C	29.6	Very low	31.8	Very low	131 Å²	131	149.6 Å²	149.6	89%	0.885	81%	0.806	S	S	*	*			trans	-120.5	143.4	164.5	-74.6	0	0	0	0	110.4
366	N	29.7	Very low	31.7	Very low	168 Å²	168	147.3 Å²	147.3	90%	0.898	80%	0.802	S	S	*	*			trans	-79.2	138.9	-168.8	-63.7	-47.9	0	0	0	113.4
367	A	32.6	Very low	32.4	Very low	93 Å²	93	149.9 Å²	149.9	77%	0.769	81%	0.805	S	S	*	*			trans	-132.8	131.3	157.8	0	0	0	0	0	108.7
368	P	35.9	Very low	33.5	Very low	117 Å²	117	146.6 Å²	146.6	76%	0.76	79%	0.793	S	S	*	*			trans	-75.6	155.5	-176	31.1	-35.3	0	0	0	112.3
369	P	30.7	Very low	34.6	Very low	110 Å²	110	146.6 Å²	146.6	71%	0.714	79%	0.793	S	S	*	*			trans	-69.4	139.7	179.8	29.2	-35.1	0	0	0	111.9	I371	P369-I371 PolarHBondContact O-N 2.94Å
370	V	32.3	Very low	36.3	Very low	140 Å²	140	141.7 Å²	141.7	85%	0.848	78%	0.775	S	S	*	*			trans	-74.1	105.2	168.4	179.3	0	0	0	0	108.3	N372	V370-N372 PolarHBondContact O-N 2.79Å
371	I	30	Very low	37.7	Very low	141 Å²	141	133.7 Å²	133.7	72%	0.723	74%	0.743	S	S	*	*			trans	-78.6	107.5	-173.1	-61.8	176.7	0	0	0	111	P369 S373	P369-I371 PolarHBondContact O-N 2.94Å; I371-S373 PolarHBondContact O-N 3.3Å
372	N	27.6	Very low	39.2	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	73%	0.731	S	S	*	*			trans	-69.4	86.1	165.3	-80	-20.9	0	0	0	111.2	V370	V370-N372 PolarHBondContact O-N 2.79Å
373	S	27.2	Very low	40.7	Very low	87 Å²	87	129.2 Å²	129.2	61%	0.608	72%	0.719	S	S	*	*			trans	-173.5	94.1	155.4	-88	0	0	0	0	113.2	I371	I371-S373 PolarHBondContact O-N 3.3Å
374	L	30.5	Very low	42.3	Very low	183 Å²	183	125.1 Å²	125.1	96%	0.958	70%	0.703	S	S	*	*			trans	-99.6	81.6	155.4	-74.1	176.2	0	0	0	109.3
375	K	37.8	Very low	44	Very low	180 Å²	180	122.9 Å²	122.9	78%	0.783	68%	0.684	S	S	*	*			trans	-62.9	151.2	163.6	-79.7	-176.9	176.8	178.9	0	109.5	R377	K375-R377 PolarHBondContact O-N 2.9Å
376	P	34.9	Very low	45.8	Very low	126 Å²	126	118.3 Å²	118.3	82%	0.818	66%	0.656	S	S	*	*			trans	-58.5	134.7	-167.2	20.9	-33.4	0	0	0	113	N378	P376-N378 PolarHBondContact O-N 3.07Å; P376-N378 VanDerWaalsContact O-N 3.16Å
377	R	43.9	Very low	47.7	Very low	223 Å²	223	115.4 Å²	115.4	84%	0.842	64%	0.637	S	S	*	*			trans	-66.4	110.4	-178.1	-174.9	175.6	-175.2	150.8	-0.6	110	K375	K375-R377 PolarHBondContact O-N 2.9Å
378	N	55.1	Low	49.4	Very low	103 Å²	103	116.1 Å²	116.1	55%	0.551	63%	0.625	S	S	*	*			trans	6.1	106	176.7	-173.1	0.7	0	0	0	115.7	P376 T380 A381	P376-N378 PolarHBondContact O-N 3.07Å; P376-N378 VanDerWaalsContact O-N 3.16Å; N378-T380 PolarHBondContact O-N 3.06Å; N378-T380 VanDerWaalsContact O-N 3.09Å; N378-T380 WeakPolarHBondContact OD1-CB 3.46Å; N378-T380 PolarHBondContact OD1-N 3.06Å; N378-T380 VanDerWaalsContact OD1-N 3.07Å; N378-T380 PolarHBondContact OD1-OG1 2.8Å; N378-A381 HydrophobicContact CB-CB 4.48Å; N378-A381 WeakPolarHBondContact O-CB 3.5Å; N378-A381 PolarHBondContact O-N 3.08Å
379	Q	54.3	Low	51.2	Low	159 Å²	159	111.5 Å²	111.5	74%	0.743	59%	0.594	S	S	*	*	H	α-helix	trans	-57.2	-28.3	-178.2	-165.1	162.6	-2	0	0	113.3	A381 I382 S383	Q379-A381 VanDerWaalsContact C-N 3.31Å; Q379-A381 PolarHBondContact O-N 2.92Å; Q379-I382 PolarHBondContact O-N 2.97Å; Q379-S383 PolarHBondContact O-N 2.71Å; Q379-S383 PolarHBondContact O-OG 2.85Å
380	T	66.4	Low	52.9	Low	79 Å²	79	112 Å²	112	49%	0.485	59%	0.587	S	S	.	*	H	α-helix	trans	-61	-36.6	172.3	-51.9	0	0	0	0	112.6	N378 S383 Q384	N378-T380 PolarHBondContact O-N 3.06Å; N378-T380 VanDerWaalsContact O-N 3.09Å; N378-T380 WeakPolarHBondContact OD1-CB 3.46Å; N378-T380 PolarHBondContact OD1-N 3.06Å; N378-T380 VanDerWaalsContact OD1-N 3.07Å; N378-T380 PolarHBondContact OD1-OG1 2.8Å; T380-S383 PolarHBondContact O-N 3.01Å; T380-Q384 WeakPolarHBondContact O-CB 3.39Å; T380-Q384 VanDerWaalsContact O-CG 3.26Å; T380-Q384 WeakPolarHBondContact O-CG 3.33Å; T380-Q384 PolarHBondContact O-N 2.99Å
381	A	61.7	Low	54.8	Low	31 Å²	31	111.9 Å²	111.9	26%	0.256	58%	0.577	S	S	.	*	H	α-helix	trans	-70.7	-34.4	177.4	0	0	0	0	0	111.9	N378 Q379 I385	N378-A381 HydrophobicContact CB-CB 4.48Å; N378-A381 WeakPolarHBondContact O-CB 3.5Å; N378-A381 PolarHBondContact O-N 3.08Å; Q379-A381 VanDerWaalsContact C-N 3.31Å; Q379-A381 PolarHBondContact O-N 2.92Å; A381-I385 VanDerWaalsContact O-CG1 3.28Å; A381-I385 WeakPolarHBondContact O-CG1 3.44Å; A381-I385 PolarHBondContact O-N 2.93Å
382	I	63.8	Low	56.7	Low	105 Å²	105	112.3 Å²	112.3	54%	0.538	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-46.3	173.1	-57.3	176.8	0	0	0	109.6	Q379 Q384 I385 A386	Q379-I382 PolarHBondContact O-N 2.97Å; I382-Q384 PolarHBondContact O-N 2.86Å; I382-I385 PolarHBondContact O-N 2.71Å; I382-A386 WeakPolarHBondContact O-CB 3.4Å; I382-A386 PolarHBondContact O-N 3.27Å
383	S	65.7	Low	57.7	Low	70 Å²	70	108.3 Å²	108.3	49%	0.49	57%	0.569	S	S	.	*	H	α-helix	trans	-61.8	-41.8	175.8	-59.3	0	0	0	0	112.9	Q379 T380 A386 Q387	Q379-S383 PolarHBondContact O-N 2.71Å; Q379-S383 PolarHBondContact O-OG 2.85Å; T380-S383 PolarHBondContact O-N 3.01Å; S383-A386 PolarHBondContact O-N 2.75Å; S383-Q387 WeakPolarHBondContact O-CB 3.38Å; S383-Q387 PolarHBondContact O-N 3.16Å
384	Q	67.1	Low	59	Low	112 Å²	112	108 Å²	108	52%	0.523	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-43.3	175.9	-77.4	170.2	-16.9	0	0	111.9	T380 I382 Q387 M388	T380-Q384 WeakPolarHBondContact O-CB 3.39Å; T380-Q384 VanDerWaalsContact O-CG 3.26Å; T380-Q384 WeakPolarHBondContact O-CG 3.33Å; T380-Q384 PolarHBondContact O-N 2.99Å; I382-Q384 PolarHBondContact O-N 2.86Å; Q384-Q387 PolarHBondContact O-N 2.87Å; Q384-M388 WeakPolarHBondContact O-CB 3.42Å; Q384-M388 VanDerWaalsContact O-CG 3.29Å; Q384-M388 WeakPolarHBondContact O-CG 3.31Å; Q384-M388 PolarHBondContact O-N 2.94Å
385	I	67.6	Low	59.5	Low	69 Å²	69	100 Å²	100	35%	0.354	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-43.3	175.7	-69.4	166.1	0	0	0	110.6	A381 I382 Q387 M388 L389	A381-I385 VanDerWaalsContact O-CG1 3.28Å; A381-I385 WeakPolarHBondContact O-CG1 3.44Å; A381-I385 PolarHBondContact O-N 2.93Å; I382-I385 PolarHBondContact O-N 2.71Å; I385-Q387 PolarHBondContact O-N 3.42Å; I385-M388 PolarHBondContact O-N 2.79Å; I385-L389 HydrophobicContact CG2-CD1 3.95Å; I385-L389 HydrophobicContact CG2-CG 4.4Å; I385-L389 WeakPolarHBondContact O-CB 3.37Å; I385-L389 VanDerWaalsContact O-CG 3.28Å; I385-L389 WeakPolarHBondContact O-CG 3.32Å; I385-L389 PolarHBondContact O-N 2.89Å
386	A	66.1	Low	59.6	Low	35 Å²	35	95.2 Å²	95.2	29%	0.289	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-44.7	176.5	0	0	0	0	0	112.1	I382 S383 L389 Q390	I382-A386 WeakPolarHBondContact O-CB 3.4Å; I382-A386 PolarHBondContact O-N 3.27Å; S383-A386 PolarHBondContact O-N 2.75Å; A386-L389 PolarHBondContact O-N 2.61Å; A386-Q390 WeakPolarHBondContact O-CB 3.3Å; A386-Q390 PolarHBondContact O-N 2.93Å
387	Q	70.8	Confident	59.7	Low	107 Å²	107	94 Å²	94	50%	0.5	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174.6	-179.1	177.1	-15.4	0	0	111.6	S383 Q384 I385 L389 Q390 E391	S383-Q387 WeakPolarHBondContact O-CB 3.38Å; S383-Q387 PolarHBondContact O-N 3.16Å; Q384-Q387 PolarHBondContact O-N 2.87Å; I385-Q387 PolarHBondContact O-N 3.42Å; Q387-L389 VanDerWaalsContact C-N 3.27Å; Q387-L389 PolarHBondContact O-N 2.85Å; Q387-Q390 PolarHBondContact O-N 3Å; Q387-Q390 VanDerWaalsContact O-N 3.13Å; Q387-E391 HydrophobicContact CG-CG 4.31Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.38Å; Q387-E391 PolarHBondContact NE2-OE1 3.38Å; Q387-E391 WeakPolarHBondContact O-CB 2.94Å; Q387-E391 WeakPolarHBondContact O-CG 3.48Å; Q387-E391 PolarHBondContact O-N 3.4Å
388	M	68.2	Low	59.4	Low	107 Å²	107	93 Å²	93	53%	0.527	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-28.9	177.4	-73.4	179.6	70.8	0	0	113.6	Q384 I385 K392	Q384-M388 WeakPolarHBondContact O-CB 3.42Å; Q384-M388 VanDerWaalsContact O-CG 3.29Å; Q384-M388 WeakPolarHBondContact O-CG 3.31Å; Q384-M388 PolarHBondContact O-N 2.94Å; I385-M388 PolarHBondContact O-N 2.79Å; M388-K392 WeakPolarHBondContact O-CB 3.43Å; M388-K392 VanDerWaalsContact O-CG 3.31Å; M388-K392 WeakPolarHBondContact O-CG 3.27Å; M388-K392 PolarHBondContact O-N 3Å
389	L	72.9	Confident	58.5	Low	20 Å²	20	92.8 Å²	92.8	11%	0.105	49%	0.49	C	S	.	.	H	α-helix	trans	-75.5	-37.1	173.1	-70.9	171.3	0	0	0	111.5	I385 A386 Q387 K392 G393 I394 V395 V491	I385-L389 HydrophobicContact CG2-CD1 3.95Å; I385-L389 HydrophobicContact CG2-CG 4.4Å; I385-L389 WeakPolarHBondContact O-CB 3.37Å; I385-L389 VanDerWaalsContact O-CG 3.28Å; I385-L389 WeakPolarHBondContact O-CG 3.32Å; I385-L389 PolarHBondContact O-N 2.89Å; A386-L389 PolarHBondContact O-N 2.61Å; Q387-L389 VanDerWaalsContact C-N 3.27Å; Q387-L389 PolarHBondContact O-N 2.85Å; L389-K392 PolarHBondContact O-N 3.19Å; L389-G393 PolarHBondContact O-N 2.79Å; L389-I394 HydrophobicContact CB-CB 4.46Å; L389-I394 HydrophobicContact CD2-CB 4.01Å; L389-I394 HydrophobicContact CD2-CD1 3.98Å; L389-I394 HydrophobicContact CD2-CG2 3.88Å; L389-I394 PolarHBondContact O-N 3.39Å; L389-V395 HydrophobicContact CB-CG2 4.17Å; L389-V395 HydrophobicContact CD1-CG2 4.3Å; L389-V491 HydrophobicContact CD1-CG1 4.06Å; L389-V491 HydrophobicContact CD1-CG2 4.26Å
390	Q	67.1	Low	57.7	Low	121 Å²	121	89.9 Å²	89.9	57%	0.565	47%	0.473	S	S	*	.	H	α-helix	trans	-67.9	-46.2	175.1	-173.4	177.9	-1.9	0	0	111.9	A386 Q387 K392 G393	A386-Q390 WeakPolarHBondContact O-CB 3.3Å; A386-Q390 PolarHBondContact O-N 2.93Å; Q387-Q390 PolarHBondContact O-N 3Å; Q387-Q390 VanDerWaalsContact O-N 3.13Å; Q390-K392 PolarHBondContact O-N 2.7Å; Q390-G393 PolarHBondContact O-N 2.99Å
391	E	71.5	Confident	56.3	Low	137 Å²	137	95.2 Å²	95.2	64%	0.64	49%	0.492	S	S	*	.	H	α-helix	trans	-62	-24.5	175.7	-73.8	174.3	-174.9	0	0	113	Q387	Q387-E391 HydrophobicContact CG-CG 4.31Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.38Å; Q387-E391 PolarHBondContact NE2-OE1 3.38Å; Q387-E391 WeakPolarHBondContact O-CB 2.94Å; Q387-E391 WeakPolarHBondContact O-CG 3.48Å; Q387-E391 PolarHBondContact O-N 3.4Å
392	K	69.5	Low	55.2	Low	151 Å²	151	98.8 Å²	98.8	66%	0.657	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.1	174	-71	-175.8	176.8	-172.7	0	114.2	M388 L389 Q390 I394	M388-K392 WeakPolarHBondContact O-CB 3.43Å; M388-K392 VanDerWaalsContact O-CG 3.31Å; M388-K392 WeakPolarHBondContact O-CG 3.27Å; M388-K392 PolarHBondContact O-N 3Å; L389-K392 PolarHBondContact O-N 3.19Å; Q390-K392 PolarHBondContact O-N 2.7Å; K392-I394 HydrophobicContact CB-CD1 3.75Å; K392-I394 HydrophobicContact CB-CG1 3.91Å; K392-I394 HydrophobicContact CD-CD1 4.31Å; K392-I394 PolarHBondContact O-N 3.45Å
393	G	49.6	Very low	54.1	Low	70 Å²	70	97.8 Å²	97.8	72%	0.722	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	24	-178.3	0	0	0	0	0	114.3	L389 Q390	L389-G393 PolarHBondContact O-N 2.79Å; Q390-G393 PolarHBondContact O-N 2.99Å
394	I	53.5	Low	52.7	Low	81 Å²	81	101.2 Å²	101.2	42%	0.415	53%	0.529	S	S	.	.	S	Bend	trans	-88.7	-28.1	-177.1	-60	171.9	0	0	0	111.2	L389 K392	L389-I394 HydrophobicContact CB-CB 4.46Å; L389-I394 HydrophobicContact CD2-CB 4.01Å; L389-I394 HydrophobicContact CD2-CD1 3.98Å; L389-I394 HydrophobicContact CD2-CG2 3.88Å; L389-I394 PolarHBondContact O-N 3.39Å; K392-I394 HydrophobicContact CB-CD1 3.75Å; K392-I394 HydrophobicContact CB-CG1 3.91Å; K392-I394 HydrophobicContact CD-CD1 4.31Å; K392-I394 PolarHBondContact O-N 3.45Å
395	V	42.7	Very low	51.3	Low	13 Å²	13	99.1 Å²	99.1	8%	0.079	54%	0.538	C	S	.	.			trans	-141.9	134.6	175.5	-168.2	0	0	0	0	110.6	L389 Y397	L389-V395 HydrophobicContact CB-CG2 4.17Å; L389-V395 HydrophobicContact CD1-CG2 4.3Å; V395-Y397 HydrophobicContact CB-CE2 4.2Å; V395-Y397 HydrophobicContact CG1-CD1 4.43Å; V395-Y397 HydrophobicContact CG1-CD2 3.92Å; V395-Y397 HydrophobicContact CG1-CE1 4.03Å; V395-Y397 HydrophobicContact CG1-CE2 3.45Å; V395-Y397 VanDerWaalsContact CG1-CE2 3.45Å; V395-Y397 HydrophobicContact CG1-CG 4.39Å
396	S	39.8	Very low	50	Low	81 Å²	81	97.7 Å²	97.7	57%	0.566	54%	0.536	S	S	*	.			trans	-109.4	127	171.3	-174.8	0	0	0	0	109.7
397	Y	36.6	Very low	48.6	Very low	100 Å²	100	105 Å²	105	39%	0.392	56%	0.561	S	S	.	*			trans	-121.5	111	174.9	-69.3	-68	0	0	0	109.9	V395 V491	V395-Y397 HydrophobicContact CB-CE2 4.2Å; V395-Y397 HydrophobicContact CG1-CD1 4.43Å; V395-Y397 HydrophobicContact CG1-CD2 3.92Å; V395-Y397 HydrophobicContact CG1-CE1 4.03Å; V395-Y397 HydrophobicContact CG1-CE2 3.45Å; V395-Y397 VanDerWaalsContact CG1-CE2 3.45Å; V395-Y397 HydrophobicContact CG1-CG 4.39Å; Y397-V491 WeakPolarHBondContact OH-CG2 3.38Å
398	R	37.3	Very low	47.1	Very low	202 Å²	202	107.9 Å²	107.9	76%	0.762	57%	0.574	S	S	*	*			trans	-132.3	115.6	171.1	-73.6	-169.8	172.2	-153.5	-0.9	111.2	R400	R398-R400 PolarHBondContact O-N 2.89Å; R398-R400 VanDerWaalsContact O-N 3.1Å
399	S	37	Very low	45.6	Very low	98 Å²	98	109.6 Å²	109.6	69%	0.685	59%	0.585	S	S	*	*			trans	-70.1	100	165.5	-53.1	0	0	0	0	109
400	R	37.7	Very low	43.5	Very low	99 Å²	99	117.8 Å²	117.8	37%	0.374	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-82.7	142	169	-52.8	-160.8	-145.1	-145.3	14.7	109.7	R398 E808 T809 D812	R398-R400 PolarHBondContact O-N 2.89Å; R398-R400 VanDerWaalsContact O-N 3.1Å; R400-E808 WeakPolarHBondContact CD-OE2 3.28Å; R400-E808 IonicContact CZ-OE2 3.03Å; R400-E808 IonicContact NE-OE2 2.73Å; R400-E808 IonicContact NH1-OE2 3.34Å; R400-E808 PolarHBondContact NH1-OE2 2.89Å; R400-T809 PolarHBondContact NH2-OG1 2.9Å; R400-T809 VanDerWaalsContact NH2-OG1 3.16Å; R400-D812 IonicContact CZ-OD1 2.73Å; R400-D812 IonicContact CZ-OD2 2.73Å; R400-D812 IonicContact NH1-OD2 2.67Å; R400-D812 PolarHBondContact NH1-OD2 3.08Å; R400-D812 VanDerWaalsContact NH2-CG 3.3Å; R400-D812 IonicContact NH2-OD1 2.94Å; R400-D812 PolarHBondContact NH2-OD1 2.93Å; R400-D812 IonicContact NH2-OD2 3.24Å; R400-D812 PolarHBondContact NH2-OD2 3.25Å
401	Q	36.7	Very low	41.7	Very low	190 Å²	190	118.7 Å²	118.7	89%	0.888	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-94	132.4	177.8	-168.2	168.5	3	0	0	108.3
402	M	37.9	Very low	39.7	Very low	107 Å²	107	115.3 Å²	115.3	53%	0.527	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-60.6	137.3	-173.1	-106	-169	170.2	0	0	112.4	A406	M402-A406 HydrophobicContact CE-CB 4.18Å; M402-A406 HydrophobicContact CG-CB 4.41Å; M402-A406 HydrophobicContact SD-CB 3.64Å
403	P	41.6	Very low	38	Very low	83 Å²	83	113.1 Å²	113.1	54%	0.539	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-58.4	145.9	173.6	-25.5	34.9	0	0	0	112.8	G405 A406	P403-G405 PolarHBondContact O-N 2.99Å; P403-A406 PolarHBondContact O-N 3.13Å
404	S	35.6	Very low	37	Very low	142 Å²	142	118.1 Å²	118.1	99%	0.993	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	93.1	179.2	-161	0	0	0	0	110.9
405	G	37	Very low	36	Very low	69 Å²	69	118.7 Å²	118.7	71%	0.711	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.4	-27.1	-176.8	0	0	0	0	0	113.8	P403 K407	P403-G405 PolarHBondContact O-N 2.99Å; G405-K407 PolarHBondContact O-N 3.2Å
406	A	41	Very low	35.4	Very low	38 Å²	38	125.9 Å²	125.9	31%	0.314	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-64.6	127.4	174.2	0	0	0	0	0	111.1	M402 P403	M402-A406 HydrophobicContact CE-CB 4.18Å; M402-A406 HydrophobicContact CG-CB 4.41Å; M402-A406 HydrophobicContact SD-CB 3.64Å; P403-A406 PolarHBondContact O-N 3.13Å
407	K	36.2	Very low	34.9	Very low	188 Å²	188	129.8 Å²	129.8	82%	0.817	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-97.1	129	174.4	-66.5	178.4	-178.1	174.3	0	109.3	G405 L409	G405-K407 PolarHBondContact O-N 3.2Å; K407-L409 PolarHBondContact O-N 3.23Å
408	H	40.5	Very low	34.5	Very low	169 Å²	169	131.3 Å²	131.3	78%	0.782	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-60.5	129.5	167.3	-86.1	-89.7	0	0	0	110.2
409	L	35.2	Very low	34.1	Very low	142 Å²	142	126.8 Å²	126.8	74%	0.743	72%	0.721	S	S	*	*	S	Bend	trans	-70.7	131.2	156.1	-67.1	167.3	0	0	0	107.4	K407	K407-L409 PolarHBondContact O-N 3.23Å
410	Y	29.1	Very low	33.8	Very low	192 Å²	192	127.6 Å²	127.6	75%	0.753	73%	0.726	S	S	*	*			trans	65.8	107.6	-178.6	-56.6	-78.3	0	0	0	118.2	G412	Y410-G412 PolarHBondContact O-N 3.09Å
411	P	29.1	Very low	33.4	Very low	141 Å²	141	127.3 Å²	127.3	92%	0.916	75%	0.745	S	S	*	*	S	Bend	trans	-82.3	98.2	156.3	32.6	-29	0	0	0	109.8
412	G	31	Very low	33.2	Very low	66 Å²	66	124.2 Å²	124.2	68%	0.68	74%	0.741	S	S	*	*			trans	-178.6	-26	176.2	0	0	0	0	0	116.8	Y410 H414	Y410-G412 PolarHBondContact O-N 3.09Å; G412-H414 VanDerWaalsContact C-N 3.26Å; G412-H414 PolarHBondContact O-N 2.58Å
413	S	32	Very low	32.9	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	76%	0.756	S	S	*	*			trans	-80.2	59.8	-177.6	38.5	0	0	0	0	113.5	P415	S413-P415 WeakPolarHBondContact O-CD 3.29Å
414	H	29.7	Very low	32.3	Very low	175 Å²	175	126.6 Å²	126.6	81%	0.81	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.9	125.3	169.7	-110.2	-70.9	0	0	0	110.8	G412 L416	G412-H414 VanDerWaalsContact C-N 3.26Å; G412-H414 PolarHBondContact O-N 2.58Å; H414-L416 PolarHBondContact O-N 2.94Å
415	P	32.6	Very low	32.1	Very low	93 Å²	93	124.8 Å²	124.8	60%	0.604	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.7	131	174.8	-21	33.4	0	0	0	111.5	S413 L417	S413-P415 WeakPolarHBondContact O-CD 3.29Å; P415-L417 PolarHBondContact O-N 3.1Å
416	L	30.8	Very low	32.1	Very low	164 Å²	164	130 Å²	130	86%	0.859	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-70.6	119.7	174.9	-71.2	173.5	0	0	0	110.3	H414 V418	H414-L416 PolarHBondContact O-N 2.94Å; L416-V418 PolarHBondContact O-N 2.89Å
417	L	28.4	Very low	31.6	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	79%	0.789	S	S	*	*			trans	-71.1	93.2	177.9	-67.9	173.5	0	0	0	111.1	P415 S419	P415-L417 PolarHBondContact O-N 3.1Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.04Å
418	V	28.8	Very low	31.3	Very low	131 Å²	131	137.9 Å²	137.9	79%	0.794	79%	0.792	S	S	*	*			trans	-74.3	84.4	166.5	-176.8	0	0	0	0	108.9	L416 S420	L416-V418 PolarHBondContact O-N 2.89Å; V418-S420 PolarHBondContact O-N 3.21Å; V418-S420 VanDerWaalsContact O-N 3.09Å
419	S	28.7	Very low	30.9	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	80%	0.795	S	S	*	*			trans	-58	112.9	174.2	-72.9	0	0	0	0	110.7	L417 A421	L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 3.04Å; S419-A421 PolarHBondContact O-N 3.4Å; S419-A421 VanDerWaalsContact O-N 3.15Å
420	S	29.8	Very low	30.8	Very low	115 Å²	115	138 Å²	138	80%	0.804	80%	0.799	S	S	*	*			trans	-71.7	105.6	176.2	-47.5	0	0	0	0	109.9	V418	V418-S420 PolarHBondContact O-N 3.21Å; V418-S420 VanDerWaalsContact O-N 3.09Å
421	A	29.8	Very low	30.7	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63.6	130.7	173	0	0	0	0	0	110.2	S419	S419-A421 PolarHBondContact O-N 3.4Å; S419-A421 VanDerWaalsContact O-N 3.15Å
422	P	32.8	Very low	30.9	Very low	125 Å²	125	137.1 Å²	137.1	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.4	149.5	179.2	28.4	-34.1	0	0	0	111.6
423	S	31.6	Very low	31	Very low	118 Å²	118	141.5 Å²	141.5	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-63.8	134.2	-174.7	-171.6	0	0	0	0	112.7	S425	S423-S425 PolarHBondContact O-N 3.46Å
424	S	28.5	Very low	30.9	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	81%	0.805	S	S	*	*	S	Bend	trans	-74.5	87.9	-179.9	55.7	0	0	0	0	112.5
425	S	32.1	Very low	31.1	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	81%	0.806	S	S	*	*			trans	-163.4	61.4	164.8	-176	0	0	0	0	114.1	S423	S423-S425 PolarHBondContact O-N 3.46Å
426	E	36.7	Very low	31.1	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	82%	0.817	S	S	*	*			trans	-146.9	112.1	155.6	-137.4	160.5	-146.4	0	0	116.1
427	R	30	Very low	31.3	Very low	223 Å²	223	146.1 Å²	146.1	84%	0.842	82%	0.82	S	S	*	*			trans	36.6	104.8	149.8	-71.7	173.3	162.8	164.6	-6	120.1	K429	R427-K429 PolarHBondContact O-N 3.23Å
428	L	29.4	Very low	31.7	Very low	167 Å²	167	146.2 Å²	146.2	87%	0.874	82%	0.815	S	S	*	*			trans	-29.6	122.6	130.7	-73.1	152.3	0	0	0	113.5
429	K	33.6	Very low	32.2	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.857	80%	0.802	S	S	*	*			trans	-176.1	161.2	136.4	-101	156	-172.5	-173.8	0	112.1	R427	R427-K429 PolarHBondContact O-N 3.23Å
430	S	32.5	Very low	32.6	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	80%	0.798	S	S	*	*			trans	50.3	79.4	172.5	57.7	0	0	0	0	117.5
431	L	27.6	Very low	32.8	Very low	180 Å²	180	148.4 Å²	148.4	94%	0.942	80%	0.798	S	S	*	*			trans	-126.8	76.7	142.4	-165.5	77.8	0	0	0	109.6
432	T	32	Very low	32.9	Very low	135 Å²	135	151.2 Å²	151.2	83%	0.828	80%	0.8	S	S	*	*			trans	-142	119	172.2	-53.5	0	0	0	0	108.1
433	Q	33.2	Very low	33.2	Very low	158 Å²	158	151.9 Å²	151.9	74%	0.738	80%	0.797	S	S	*	*				152.4	112.6	129.5	-168.8	160.7	45.4	0	0	111.5
434	M	30.4	Very low	33.4	Very low	146 Å²	146	152.7 Å²	152.7	72%	0.719	79%	0.792	S	S	*	*			trans	48	121.4	155.4	-61.4	-171.7	-86.5	0	0	118.6
435	N	34.6	Very low	33.7	Very low	154 Å²	154	153.7 Å²	153.7	82%	0.824	79%	0.786	S	S	*	*				-153.6	144.5	65.7	-85.6	-53.3	0	0	0	113.9
436	N	31	Very low	33.8	Very low	157 Å²	157	154.8 Å²	154.8	84%	0.84	78%	0.783	S	S	*	*			trans	-83.5	145.5	161.9	-64.4	-33.1	0	0	0	109.6
437	I	35.9	Very low	33.6	Very low	177 Å²	177	153.5 Å²	153.5	91%	0.908	78%	0.781	S	S	*	*			trans	-151.8	150.6	145.2	-103.9	150.5	0	0	0	107.9
438	H	37.7	Very low	33.8	Very low	165 Å²	165	146 Å²	146	76%	0.764	77%	0.774	S	S	*	*			trans	-95.4	159.3	-159.2	-123.6	-73.4	0	0	0	114.1
439	D	37.3	Very low	33.9	Very low	98 Å²	98	144 Å²	144	52%	0.524	77%	0.768	S	S	.	*			trans	75.2	113	140.7	-82.8	-3.9	0	0	0	123.4
440	K	37.3	Very low	33.9	Very low	151 Å²	151	142 Å²	142	66%	0.657	76%	0.762	S	S	*	*				78.3	115	117.5	-69.2	168.3	-170.2	146.3	0	120.9
441	N	35.2	Very low	34	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	75%	0.754	S	S	*	*				76.6	123.3	128	-64.3	1.5	0	0	0	119.7
442	N	32.4	Very low	34.5	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	74%	0.741	S	S	*	*			trans	-45.3	136.3	151	-57.8	-31.1	0	0	0	111.3
443	N	38.6	Very low	34.8	Very low	140 Å²	140	139 Å²	139	75%	0.749	73%	0.733	S	S	*	*				-161	119.9	122.9	-101.3	-26.1	0	0	0	112.1
444	N	36.2	Very low	35.2	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	74%	0.735	S	S	*	*			trans	71.1	150.8	138.9	-67.1	-21.1	0	0	0	122.8
445	I	33.7	Very low	35.3	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	74%	0.737	S	S	*	*			trans	94.8	100.6	135.5	-85.3	161.9	0	0	0	120.1
446	I	35.5	Very low	35.5	Very low	128 Å²	128	137.8 Å²	137.8	66%	0.656	73%	0.733	S	S	*	*				77.8	116.1	125.1	-66.2	177.4	0	0	0	120.9
447	N	31.1	Very low	35.7	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	73%	0.725	S	S	*	*				43.3	157.5	128.5	-44.3	-8.8	0	0	0	122.8
448	G	34.3	Very low	35.9	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	72%	0.722	S	S	*	*			trans	105.9	78.6	-177.5	0	0	0	0	0	109.8
449	T	32.1	Very low	35.9	Very low	124 Å²	124	136.5 Å²	136.5	76%	0.761	72%	0.717	S	S	*	*				61.4	135.9	59.2	-19.9	0	0	0	0	113.7
450	E	33.4	Very low	36	Very low	155 Å²	155	138.8 Å²	138.8	72%	0.724	73%	0.728	S	S	*	*			trans	80.1	111.7	158.9	-78.9	-176.6	-119.4	0	0	121.7
451	N	34.6	Very low	36.2	Very low	119 Å²	119	137.4 Å²	137.4	64%	0.636	72%	0.724	S	S	*	*				98.6	132.9	121.5	-65	-12.9	0	0	0	122.7
452	N	37.4	Very low	36.4	Very low	126 Å²	126	136.4 Å²	136.4	67%	0.674	72%	0.718	S	S	*	*			trans	82	109.8	137.6	-68.7	-8.7	0	0	0	122.6
453	N	38.7	Very low	36.7	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	72%	0.717	S	S	*	*				99.2	134.9	119.8	-67.4	-10.6	0	0	0	122.6
454	H	41.3	Very low	36.6	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.787	71%	0.707	S	S	*	*			trans	52.6	90.1	145.7	-60.7	-39.7	0	0	0	121.2
455	N	33.3	Very low	36.6	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	71%	0.706	S	S	*	*				-7.3	123.1	113.9	173.7	30.4	0	0	0	116.1
456	V	39.3	Very low	36.6	Very low	121 Å²	121	133.2 Å²	133.2	73%	0.733	71%	0.705	S	S	*	*			trans	-164.9	132.1	137.4	132.9	0	0	0	0	113.9
457	N	33.6	Very low	36.7	Very low	126 Å²	126	135.7 Å²	135.7	67%	0.674	71%	0.711	S	S	*	*			trans	-6.3	139.6	158.6	-45.8	-39.8	0	0	0	122
458	K	41	Very low	36.9	Very low	194 Å²	194	134 Å²	134	84%	0.843	71%	0.705	S	S	*	*				-163.7	128.4	113.8	-98.3	148.1	-174.2	174.9	0	109.5
459	K	38.1	Very low	36.8	Very low	152 Å²	152	137.4 Å²	137.4	66%	0.661	71%	0.708	S	S	*	*				79.5	112.7	71.5	-157.8	-164.8	176	-176.1	0	110.4
460	I	39.6	Very low	36.9	Very low	146 Å²	146	138.7 Å²	138.7	75%	0.749	71%	0.71	S	S	*	*				-168.3	124.5	91.4	-89	164.9	0	0	0	105.6
461	Q	40.1	Very low	36.8	Very low	123 Å²	123	139.7 Å²	139.7	58%	0.575	72%	0.715	S	S	*	*				63.1	139.3	74.1	-69.9	-164.7	-98.7	0	0	114.5
462	D	39.5	Very low	36.6	Very low	129 Å²	129	143.4 Å²	143.4	69%	0.69	73%	0.726	S	S	*	*			cis	-139.9	-144.4	-36	-72	-53.7	0	0	0	104.7
463	E	39.6	Very low	36.2	Very low	170 Å²	170	141 Å²	141	79%	0.794	72%	0.719	S	S	*	*			cis	-158.4	177.1	-1.6	-98.9	-126.8	99.6	0	0	105.5
464	T	36.6	Very low	35.9	Very low	88 Å²	88	142.9 Å²	142.9	54%	0.54	72%	0.723	S	S	.	*			cis	-174.4	143.9	-37.5	-77.2	0	0	0	0	108.3
465	T	35.5	Very low	35.2	Very low	113 Å²	113	143.8 Å²	143.8	69%	0.693	73%	0.728	S	S	*	*			trans	66.4	123.6	161.7	48.6	0	0	0	0	125
466	N	34.5	Very low	35.1	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	74%	0.737	S	S	*	*				87.9	113.1	121.6	-71.9	-21.6	0	0	0	124.8
467	K	36.3	Very low	34.6	Very low	181 Å²	181	149.6 Å²	149.6	79%	0.787	74%	0.743	S	S	*	*				93.3	113.8	122.1	-77.3	-173.5	175.1	-177.2	0	122
468	V	36.1	Very low	34.5	Very low	115 Å²	115	150.3 Å²	150.3	70%	0.697	75%	0.751	S	S	*	*				82.8	108.6	127.5	177	0	0	0	0	118.8
469	N	32.9	Very low	33.9	Very low	138 Å²	138	146.1 Å²	146.1	74%	0.738	75%	0.747	S	S	*	*			trans	48.4	109.3	142.8	-51.8	10.3	0	0	0	119.5
470	N	34.1	Very low	33.6	Very low	151 Å²	151	145 Å²	145	81%	0.807	75%	0.753	S	S	*	*				-169.3	178.4	86	-113.8	8.5	0	0	0	113.6
471	E	30.7	Very low	33	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	76%	0.757	S	S	*	*			trans	-68.9	133	-170.4	-50	163.2	136.7	0	0	114.9
472	K	30.9	Very low	32.6	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	76%	0.76	S	S	*	*				-173.9	148.2	117.3	-119.6	-171	173.7	-170.5	0	116.2
473	S	28.1	Very low	32.1	Very low	75 Å²	75	146.6 Å²	146.6	52%	0.524	77%	0.766	S	S	.	*			trans	11.7	161	154.4	60.4	0	0	0	0	125.2
474	E	32.7	Very low	31.7	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	76%	0.758	S	S	*	*			trans	72.4	105.2	167.6	-68.5	134.9	-107	0	0	115.7
475	E	27.1	Very low	31.2	Very low	188 Å²	188	151 Å²	151	88%	0.879	77%	0.771	S	S	*	*				87.8	98.8	66.1	-82.1	-155.9	165.7	0	0	114
476	E	31.6	Very low	31.1	Very low	203 Å²	203	151.8 Å²	151.8	95%	0.949	77%	0.767	S	S	*	*			trans	-152.4	166.9	140.9	-134.6	-178.4	-174.7	0	0	111.7
477	Q	28.7	Very low	31.1	Very low	182 Å²	182	149.7 Å²	149.7	85%	0.85	76%	0.762	S	S	*	*			trans	-115.4	136.4	-157.9	-56.5	175	13.8	0	0	113.9
478	T	31.4	Very low	30.9	Very low	140 Å²	140	145.4 Å²	145.4	86%	0.859	75%	0.753	S	S	*	*			trans	-129.6	117.1	159.2	58	0	0	0	0	110.8
479	S	26.9	Very low	30.9	Very low	106 Å²	106	146.8 Å²	146.8	74%	0.741	76%	0.756	S	S	*	*			trans	-87.9	129.7	-171.3	-168.8	0	0	0	0	113.4
480	V	31.7	Very low	31.2	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	75%	0.748	S	S	*	*			trans	-125.4	113.4	163.3	-179.4	0	0	0	0	108.4	T482	V480-T482 PolarHBondContact O-N 3.41Å
481	K	27.3	Very low	31.4	Very low	191 Å²	191	139.6 Å²	139.6	83%	0.83	72%	0.717	S	S	*	*			trans	-79	111.3	-176.5	-70.6	179.3	178.2	175.8	0	111.3
482	T	31.5	Very low	31.9	Very low	106 Å²	106	136.8 Å²	136.8	65%	0.65	70%	0.704	S	S	*	*			trans	-104.3	110.8	164.2	56.6	0	0	0	0	110.1	V480 K484	V480-T482 PolarHBondContact O-N 3.41Å; T482-K484 PolarHBondContact O-N 2.91Å
483	T	29.5	Very low	32.3	Very low	134 Å²	134	132.1 Å²	132.1	82%	0.822	69%	0.693	S	S	*	*			trans	-76.1	108.7	174.8	45.1	0	0	0	0	110.5
484	K	30.6	Very low	33	Very low	140 Å²	140	130.6 Å²	130.6	61%	0.609	68%	0.68	S	S	*	*			trans	-88.6	130.9	175.3	-62.5	179.9	-179.1	-180	0	110.3	T482	T482-K484 PolarHBondContact O-N 2.91Å
485	Y	27.3	Very low	33.4	Very low	209 Å²	209	125.8 Å²	125.8	82%	0.82	66%	0.659	S	S	*	*			trans	-84.5	145	162.7	-84.1	-98.7	0	0	0	109.7
486	H	32.5	Very low	34.3	Very low	130 Å²	130	120.9 Å²	120.9	60%	0.602	65%	0.646	S	S	*	*			trans	-137	124.7	178.4	-72	-88.7	0	0	0	109.3
487	S	34.7	Very low	35.1	Very low	86 Å²	86	119.1 Å²	119.1	60%	0.601	64%	0.635	S	S	*	*			trans	-93.5	116.8	173.9	40	0	0	0	0	110.6	L489	S487-L489 PolarHBondContact O-N 3.14Å
488	P	32.5	Very low	35.7	Very low	92 Å²	92	115.1 Å²	115.1	60%	0.597	62%	0.619	S	S	*	*			trans	-96.2	48.4	-172.1	38	-36.1	0	0	0	113.6	L490	P488-L490 PolarHBondContact O-N 3.33Å
489	L	35.4	Very low	36.2	Very low	144 Å²	144	113.4 Å²	113.4	75%	0.754	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	8.3	-166.3	-66.6	177.5	0	0	0	116.9	S487	S487-L489 PolarHBondContact O-N 3.14Å
490	L	40.3	Very low	36.8	Very low	110 Å²	110	113.4 Å²	113.4	58%	0.576	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	9.1	-177.8	-114.8	167.6	0	0	0	115.2	P488	P488-L490 PolarHBondContact O-N 3.33Å
491	V	37.9	Very low	37.2	Very low	27 Å²	27	112.9 Å²	112.9	16%	0.164	59%	0.59	C	S	.	*	S	Bend	trans	-107.4	-38.2	-168.7	-177.8	0	0	0	0	114.1	L389 Y397 T493 V494 L495	L389-V491 HydrophobicContact CD1-CG1 4.06Å; L389-V491 HydrophobicContact CD1-CG2 4.26Å; Y397-V491 WeakPolarHBondContact OH-CG2 3.38Å; V491-T493 PolarHBondContact O-N 3.31Å; V491-V494 PolarHBondContact O-N 3.44Å; V491-L495 HydrophobicContact CG1-CD1 3.79Å; V491-L495 HydrophobicContact CG1-CG 4.19Å; V491-L495 PolarHBondContact O-N 3.47Å; V491-L495 VanDerWaalsContact O-N 3.12Å
492	E	40.5	Very low	37.7	Very low	119 Å²	119	110.9 Å²	110.9	56%	0.556	59%	0.588	S	S	*	*	H	α-helix	trans	-70.7	-34.8	-172.2	-61	-157.1	138.1	0	0	113.9	N175 V494 L495 S496	N175-E492 PolarHBondContact ND2-OE2 3.31Å; E492-V494 PolarHBondContact O-N 3.04Å; E492-L495 PolarHBondContact O-N 2.82Å; E492-S496 WeakPolarHBondContact O-CB 3.42Å; E492-S496 PolarHBondContact O-N 3.21Å; E492-S496 PolarHBondContact O-OG 2.93Å
493	T	40.7	Very low	37.8	Very low	99 Å²	99	112.3 Å²	112.3	61%	0.607	59%	0.591	S	S	*	*	H	α-helix	trans	-65.3	-23.9	176.1	-40.9	0	0	0	0	112.7	V491 S496	V491-T493 PolarHBondContact O-N 3.31Å; T493-S496 PolarHBondContact O-OG 3.3Å
494	V	41.9	Very low	38	Very low	42 Å²	42	117.2 Å²	117.2	26%	0.255	60%	0.595	S	S	.	*	H	α-helix	trans	-86.7	-45	177.2	179.6	0	0	0	0	110.6	V491 E492 S496 K497 L498	V491-V494 PolarHBondContact O-N 3.44Å; E492-V494 PolarHBondContact O-N 3.04Å; V494-S496 PolarHBondContact O-N 2.92Å; V494-K497 PolarHBondContact O-N 3.25Å; V494-L498 HydrophobicContact CG1-CD1 3.8Å; V494-L498 WeakPolarHBondContact O-CG 3.48Å; V494-L498 PolarHBondContact O-N 3.04Å
495	L	41.8	Very low	38.1	Very low	64 Å²	64	115.6 Å²	115.6	34%	0.335	60%	0.601	S	S	.	*	H	α-helix	trans	-60.6	-44.8	177.8	-73	172.7	0	0	0	112.4	V491 E492 K497 L498 L499	V491-L495 HydrophobicContact CG1-CD1 3.79Å; V491-L495 HydrophobicContact CG1-CG 4.19Å; V491-L495 PolarHBondContact O-N 3.47Å; V491-L495 VanDerWaalsContact O-N 3.12Å; E492-L495 PolarHBondContact O-N 2.82Å; L495-K497 PolarHBondContact O-N 3.28Å; L495-L498 PolarHBondContact O-N 3.26Å; L495-L498 VanDerWaalsContact O-N 3.09Å; L495-L499 HydrophobicContact CB-CD1 4.37Å; L495-L499 HydrophobicContact CD2-CD1 4.35Å; L495-L499 WeakPolarHBondContact O-CD1 3.2Å; L495-L499 PolarHBondContact O-N 2.92Å; L495-L499 VanDerWaalsContact O-N 3.14Å
496	S	46.7	Very low	38.5	Very low	85 Å²	85	111.6 Å²	111.6	59%	0.594	60%	0.601	S	S	*	*	H	α-helix	trans	-63	-20	-179.7	50	0	0	0	0	114.4	E492 T493 V494	E492-S496 WeakPolarHBondContact O-CB 3.42Å; E492-S496 PolarHBondContact O-N 3.21Å; E492-S496 PolarHBondContact O-OG 2.93Å; T493-S496 PolarHBondContact O-OG 3.3Å; V494-S496 PolarHBondContact O-N 2.92Å
497	K	46.8	Very low	38.7	Very low	166 Å²	166	110.9 Å²	110.9	72%	0.722	61%	0.611	S	S	*	*	H	α-helix	trans	-97.8	-7.9	175	-67.7	-175.1	178.4	-179.6	0	114.4	V494 L495	V494-K497 PolarHBondContact O-N 3.25Å; L495-K497 PolarHBondContact O-N 3.28Å
498	L	41.4	Very low	38.4	Very low	98 Å²	98	118.7 Å²	118.7	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-110.1	-20.5	-178.3	-69.7	175.3	0	0	0	114.7	V494 L495 E501	V494-L498 HydrophobicContact CG1-CD1 3.8Å; V494-L498 WeakPolarHBondContact O-CG 3.48Å; V494-L498 PolarHBondContact O-N 3.04Å; L495-L498 PolarHBondContact O-N 3.26Å; L495-L498 VanDerWaalsContact O-N 3.09Å; L498-E501 PolarHBondContact O-N 2.98Å
499	L	42.1	Very low	38.6	Very low	104 Å²	104	119.3 Å²	119.3	55%	0.545	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-61.3	-21	-174.8	-109.4	73.7	0	0	0	118	L495 E501	L495-L499 HydrophobicContact CB-CD1 4.37Å; L495-L499 HydrophobicContact CD2-CD1 4.35Å; L495-L499 WeakPolarHBondContact O-CD1 3.2Å; L495-L499 PolarHBondContact O-N 2.92Å; L495-L499 VanDerWaalsContact O-N 3.14Å; L499-E501 VanDerWaalsContact C-N 3.31Å; L499-E501 PolarHBondContact O-N 3.33Å
500	P	39.2	Very low	38.6	Very low	105 Å²	105	117.3 Å²	117.3	68%	0.682	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-67.7	-23.3	176.1	-24.7	35.9	0	0	0	115.4
501	E	40.5	Very low	38.2	Very low	120 Å²	120	119.3 Å²	119.3	56%	0.561	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-92.5	-10.5	-166.7	-66.1	-93.3	119.9	0	0	114.1	L498 L499 R626	L498-E501 PolarHBondContact O-N 2.98Å; L499-E501 VanDerWaalsContact C-N 3.31Å; L499-E501 PolarHBondContact O-N 3.33Å; E501-R626 VanDerWaalsContact CD-NH1 3.34Å; E501-R626 VanDerWaalsContact CD-NH2 3.33Å; E501-R626 IonicContact OE1-CZ 2.71Å; E501-R626 IonicContact OE1-NH1 2.8Å; E501-R626 IonicContact OE1-NH2 3.92Å; E501-R626 PolarHBondContact OE1-NH2 3.04Å; E501-R626 IonicContact OE2-CZ 2.68Å; E501-R626 IonicContact OE2-NH1 3.16Å; E501-R626 PolarHBondContact OE2-NH1 3.11Å; E501-R626 IonicContact OE2-NH2 2.64Å; E501-R626 PolarHBondContact OE2-NH2 3.27Å
502	L	37.9	Very low	38.1	Very low	149 Å²	149	122.9 Å²	122.9	78%	0.78	67%	0.668	S	S	*	*	S	Bend	trans	-102.4	-5	-173.3	-74.9	168.6	0	0	0	115.2
503	N	34.6	Very low	37.7	Very low	136 Å²	136	124.7 Å²	124.7	73%	0.727	68%	0.682	S	S	*	*			trans	-98.2	18.7	-177.4	-76.3	-33	0	0	0	114.2	S505	N503-S505 PolarHBondContact O-N 3.38Å; N503-S505 VanDerWaalsContact O-N 3.16Å
504	R	32.7	Very low	37.4	Very low	237 Å²	237	125.6 Å²	125.6	89%	0.894	69%	0.692	S	S	*	*			trans	-90.8	68.5	-176.9	-147.7	175.6	-164.6	-171.4	3.9	112.4
505	S	33.8	Very low	37	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-55.9	130.2	176.4	-54.2	0	0	0	0	112.2	N503 S507	N503-S505 PolarHBondContact O-N 3.38Å; N503-S505 VanDerWaalsContact O-N 3.16Å; S505-S507 PolarHBondContact O-N 2.84Å
506	P	34.7	Very low	36.4	Very low	125 Å²	125	136 Å²	136	81%	0.812	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-76.2	118.5	177.2	29.6	-33.1	0	0	0	111.2
507	S	35.9	Very low	35.8	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.4	121.9	175.9	51.5	0	0	0	0	111.6	S505	S505-S507 PolarHBondContact O-N 2.84Å
508	R	29	Very low	35.1	Very low	250 Å²	250	140.3 Å²	140.3	94%	0.943	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-74.4	136.2	168.8	-74.6	178.8	166.2	-166.5	-4	111.2
509	S	36.4	Very low	35	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	77%	0.773	S	S	*	*			trans	-162.5	131.4	154.4	56.2	0	0	0	0	111.9
510	S	36.9	Very low	34.5	Very low	103 Å²	103	142 Å²	142	72%	0.72	78%	0.782	S	S	*	*			trans	64.1	96.2	152.4	-45.7	0	0	0	0	119.6
511	D	30.7	Very low	34.1	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	78%	0.783	S	S	*	*				21.9	128.3	122.2	-41.5	-46.6	0	0	0	117.6
512	S	36	Very low	33.9	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	79%	0.791	S	S	*	*				-177.2	163.8	62.6	44.3	0	0	0	0	113.2
513	N	32.3	Very low	33.7	Very low	157 Å²	157	145.2 Å²	145.2	84%	0.84	79%	0.79	S	S	*	*			trans	42.5	112.4	155.7	-56.5	-20.7	0	0	0	118.2
514	S	33.8	Very low	33.7	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	79%	0.786	S	S	*	*			cis	-179.6	163.7	48.1	-171.6	0	0	0	0	110.3
515	L	33.8	Very low	33.7	Very low	164 Å²	164	139.6 Å²	139.6	86%	0.859	78%	0.78	S	S	*	*			trans	-82.9	153.2	-178.8	-100.2	67.3	0	0	0	114
516	N	28.8	Very low	33.6	Very low	161 Å²	161	141 Å²	141	86%	0.861	78%	0.78	S	S	*	*			trans	-51.9	146.3	167.5	-65.4	-49.5	0	0	0	112.6
517	K	35.1	Very low	33.9	Very low	209 Å²	209	138.9 Å²	138.9	91%	0.909	77%	0.766	S	S	*	*			trans	-133.2	139.5	147.8	-114.5	-177.9	-177.2	179.8	0	113
518	T	31.4	Very low	33.5	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	77%	0.766	S	S	*	*			trans	-75.2	178.5	-174.5	0.1	0	0	0	0	112
519	P	40.1	Very low	33.6	Very low	104 Å²	104	139.6 Å²	139.6	68%	0.675	76%	0.76	S	S	*	*				-127.2	-137	-119.2	42.2	-22.6	0	0	0	111.9
520	N	30.3	Very low	33.3	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	76%	0.758	S	S	*	*			trans	93.8	126	163	-66.4	-27.5	0	0	0	119.2
521	N	31.7	Very low	33	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	75%	0.754	S	S	*	*				102.4	141.7	122	-100.3	-30.6	0	0	0	120.9
522	K	35.2	Very low	33	Very low	167 Å²	167	137 Å²	137	73%	0.726	74%	0.743	S	S	*	*			trans	66.3	115.1	156.4	-67.2	170.2	-177.2	-178.9	0	114.2
523	N	34.3	Very low	32.8	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	74%	0.744	S	S	*	*				124.9	154.8	68.9	-94.3	12.9	0	0	0	104.4
524	T	34.2	Very low	32.6	Very low	107 Å²	107	142.6 Å²	142.6	66%	0.656	74%	0.742	S	S	*	*			cis	-157.5	152.7	-0.3	-114.8	0	0	0	0	108.7
525	L	32.7	Very low	32.6	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	73%	0.73	S	S	*	*			trans	-9.8	149.8	146.2	-69	161.2	0	0	0	116.4
526	D	31.7	Very low	32.6	Very low	137 Å²	137	140.6 Å²	140.6	73%	0.733	72%	0.722	S	S	*	*			cis	-163.5	-128.7	0.3	-174.6	28.5	0	0	0	107.6
527	P	42	Very low	33	Very low	80 Å²	80	139 Å²	139	52%	0.519	72%	0.718	S	S	.	*				-128.6	-168.1	-129.6	42.8	-24.5	0	0	0	115.8
528	R	27.7	Very low	32.9	Very low	216 Å²	216	134.6 Å²	134.6	82%	0.815	70%	0.704	S	S	*	*			trans	77.6	143.7	141.6	-93.4	179	-174.9	156.9	1.2	118.8
529	M	31.4	Very low	33	Very low	164 Å²	164	138 Å²	138	81%	0.808	70%	0.702	S	S	*	*			trans	64.4	154	152.1	-65.6	-46.6	-170.9	0	0	116.3
530	D	30	Very low	32.5	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	70%	0.703	S	S	*	*			cis	-159.8	158.3	-26.4	175.1	36.9	0	0	0	106.1
531	S	29.9	Very low	32.6	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	70%	0.704	S	S	*	*			trans	69.3	161.7	161.1	99	0	0	0	0	112.8
532	S	31	Very low	32.4	Very low	83 Å²	83	139.5 Å²	139.5	58%	0.58	70%	0.698	S	S	*	*			cis	-178	175	-14.1	-122.9	0	0	0	0	105.6
533	K	31.2	Very low	32.1	Very low	167 Å²	167	137.7 Å²	137.7	73%	0.726	70%	0.695	S	S	*	*			trans	62.8	114.1	149.5	-70.1	156.2	-168.5	166.9	0	115
534	R	29.1	Very low	31.8	Very low	209 Å²	209	137.9 Å²	137.9	79%	0.789	69%	0.691	S	S	*	*				101	155.2	98.4	-84.4	-172.3	151.3	174.6	-6.2	111.7
535	L	32.8	Very low	31.7	Very low	110 Å²	110	138.1 Å²	138.1	58%	0.576	69%	0.689	S	S	*	*			cis	-148.1	154.5	-3.8	-113.9	171.3	0	0	0	107.5
536	D	32.9	Very low	31.5	Very low	131 Å²	131	135 Å²	135	70%	0.701	68%	0.68	S	S	*	*			trans	61.7	168	148.8	-53.1	-26.3	0	0	0	117.5
537	V	38.5	Very low	31.5	Very low	128 Å²	128	138.4 Å²	138.4	78%	0.776	68%	0.683	S	S	*	*			cis	-129.6	156.9	12	177.3	0	0	0	0	111.6
538	D	33.3	Very low	31	Very low	115 Å²	115	139 Å²	139	62%	0.615	69%	0.69	S	S	*	*			trans	-30	166.8	160.2	-59.3	-62.5	0	0	0	117.2
539	R	32.9	Very low	31.2	Very low	206 Å²	206	133.8 Å²	133.8	78%	0.777	68%	0.682	S	S	*	*			cis	-151.2	137.6	23.3	-122.2	124.8	-172.7	169.9	1	107.5
540	K	30.6	Very low	31.5	Very low	158 Å²	158	132.1 Å²	132.1	69%	0.687	68%	0.676	S	S	*	*				51.1	133.3	81.3	-86.4	-171.3	173.3	-166.2	0	115.4
541	H	31.6	Very low	31.8	Very low	158 Å²	158	131.4 Å²	131.4	73%	0.731	67%	0.671	S	S	*	*			trans	70.7	146.5	161.8	-58.9	-50.6	0	0	0	116.1
542	S	27.1	Very low	32.2	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	68%	0.675	S	S	*	*			cis	-172.7	178.6	-13.2	-102.6	0	0	0	0	109
543	I	29.4	Very low	32.3	Very low	129 Å²	129	138.3 Å²	138.3	66%	0.662	69%	0.687	S	S	*	*			trans	73.7	122.8	141	-82.5	160.4	0	0	0	118.4
544	E	28.1	Very low	32.6	Very low	145 Å²	145	133.4 Å²	133.4	68%	0.678	68%	0.684	S	S	*	*			trans	36	127.5	135.4	-46.6	155.7	-160	0	0	118.5
545	N	30.7	Very low	32.8	Very low	113 Å²	113	129.5 Å²	129.5	60%	0.604	68%	0.683	S	S	*	*				-158.9	146.5	59.7	-91.1	-80	0	0	0	110.6
546	S	30.3	Very low	33	Very low	82 Å²	82	131.2 Å²	131.2	57%	0.573	70%	0.698	S	S	*	*				77.2	147.6	59.1	-46	0	0	0	0	113.8
547	Y	31.2	Very low	32.9	Very low	207 Å²	207	129.6 Å²	129.6	81%	0.812	69%	0.693	S	S	*	*			trans	73.8	135.7	175.5	-46.7	-71.9	0	0	0	116.2
548	S	31.2	Very low	32.6	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	70%	0.698	S	S	*	*			cis	-152.7	162.4	-12.4	-148	0	0	0	0	113.5
549	T	32.3	Very low	32.4	Very low	106 Å²	106	131.6 Å²	131.6	65%	0.65	70%	0.704	S	S	*	*			trans	-10.7	155.4	148.7	61.2	0	0	0	0	118.2
550	D	37.9	Very low	32.3	Very low	129 Å²	129	127.8 Å²	127.8	69%	0.69	70%	0.703	S	S	*	*				-168.4	167.9	51.7	-89.8	-79.9	0	0	0	110.6
551	I	36.2	Very low	32.2	Very low	113 Å²	113	125 Å²	125	58%	0.579	70%	0.7	S	S	*	*			cis	-175.7	147.7	-26.5	-159.1	-178.5	0	0	0	110.8
552	K	37.7	Very low	32	Very low	163 Å²	163	123.8 Å²	123.8	71%	0.709	70%	0.699	S	S	*	*			trans	63.2	163.9	167.2	-68.9	150.7	-168.6	167.6	0	118
553	N	33.7	Very low	32.5	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	71%	0.711	S	S	*	*			cis	-165.5	152.9	-31.4	-96.5	0.4	0	0	0	106.2
554	G	38.1	Very low	32.5	Very low	64 Å²	64	128.5 Å²	128.5	66%	0.66	72%	0.719	S	S	*	*			cis	174.4	170.1	-5.8	0	0	0	0	0	112.7
555	T	31.8	Very low	32.8	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	73%	0.728	S	S	*	*			trans	30.7	114.4	148.3	-44.6	0	0	0	0	121.5
556	V	36.7	Very low	32.8	Very low	145 Å²	145	128.5 Å²	128.5	88%	0.879	73%	0.729	S	S	*	*				-139	138.7	113.4	178.9	0	0	0	0	108.3
557	T	31.1	Very low	33	Very low	98 Å²	98	131.9 Å²	131.9	60%	0.601	74%	0.74	S	S	*	*			trans	-105.7	159	178.9	50.5	0	0	0	0	111.9
558	N	32.7	Very low	33.3	Very low	164 Å²	164	125.8 Å²	125.8	88%	0.877	73%	0.733	S	S	*	*				-163.4	144.5	120.2	-95.9	-12.7	0	0	0	112.3
559	T	28.2	Very low	33.6	Very low	121 Å²	121	126.3 Å²	126.3	74%	0.742	74%	0.737	S	S	*	*			trans	-114.2	156.9	-173.1	-25.8	0	0	0	0	110
560	T	32.6	Very low	34	Very low	125 Å²	125	127.5 Å²	127.5	77%	0.767	74%	0.739	S	S	*	*			trans	163.8	96.4	144.7	-74.5	0	0	0	0	108.3
561	T	28.3	Very low	34.1	Very low	101 Å²	101	128.9 Å²	128.9	62%	0.62	74%	0.741	S	S	*	*				47.9	128.2	92.2	45.6	0	0	0	0	118.1
562	N	27.7	Very low	34	Very low	132 Å²	132	129.4 Å²	129.4	71%	0.706	74%	0.744	S	S	*	*			trans	65.5	122.8	151.7	-52.7	-9.9	0	0	0	119.2
563	N	35.7	Very low	34	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	74%	0.742	S	S	*	*				-178.9	151.1	96.9	-89.9	-42.8	0	0	0	112.9
564	N	29.8	Very low	34.3	Very low	155 Å²	155	129 Å²	129	83%	0.829	74%	0.737	S	S	*	*			trans	-80.2	152.3	158.3	-62.6	-51.4	0	0	0	109.1
565	I	34.1	Very low	34.2	Very low	171 Å²	171	131.5 Å²	131.5	88%	0.877	74%	0.744	S	S	*	*			trans	-164.8	151.5	142.5	-105.6	151.5	0	0	0	111
566	S	32	Very low	34	Very low	88 Å²	88	130.3 Å²	130.3	62%	0.615	74%	0.742	S	S	*	*			trans	-82.8	164.5	-170.4	54.9	0	0	0	0	115
567	N	34.4	Very low	33.9	Very low	152 Å²	152	132 Å²	132	81%	0.813	74%	0.74	S	S	*	*				163.3	148.7	125.2	-80.1	-10.1	0	0	0	110.9
568	A	37.1	Very low	34	Very low	80 Å²	80	131.3 Å²	131.3	66%	0.661	74%	0.739	S	S	*	*			cis	-165.3	159.3	-16.4	0	0	0	0	0	110.1
569	S	37.8	Very low	34.2	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	73%	0.729	S	S	*	*			trans	57.7	145.1	150	-65.6	0	0	0	0	120.5
570	N	40	Very low	34.5	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	73%	0.727	S	S	*	*			cis	-159	148.2	17.6	-118.6	-14	0	0	0	112
571	H	40.1	Very low	34.8	Very low	158 Å²	158	133 Å²	133	73%	0.731	73%	0.725	S	S	*	*			trans	48.9	140.9	139.6	-82.9	-129.9	0	0	0	122.1
572	L	35.2	Very low	35.1	Very low	123 Å²	123	136 Å²	136	64%	0.644	74%	0.738	S	S	*	*			cis	-164.4	128.3	-5.2	-163.5	64.4	0	0	0	113.3
573	K	38.2	Very low	35.3	Very low	152 Å²	152	132.7 Å²	132.7	66%	0.661	74%	0.735	S	S	*	*			trans	46.2	128.7	143.7	-66.4	-177.7	167.4	-170.9	0	125
574	H	39.5	Very low	35.4	Very low	159 Å²	159	133 Å²	133	74%	0.736	74%	0.735	S	S	*	*				66.7	154	125.7	-54.5	-26.1	0	0	0	119.6
575	S	34.8	Very low	35.6	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	73%	0.733	S	S	*	*			cis	-149.8	160.7	-3.7	18.1	0	0	0	0	111.2
576	S	29.1	Very low	35.8	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	73%	0.729	S	S	*	*			trans	-90.3	-177.2	175.3	51.6	0	0	0	0	113.1
577	E	34	Very low	36.2	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	74%	0.736	S	S	*	*			trans	81	153.9	171.7	-53.1	-174.6	159.9	0	0	117.2
578	S	33.7	Very low	36.6	Very low	84 Å²	84	134.6 Å²	134.6	59%	0.587	74%	0.738	S	S	*	*			cis	-172.9	170.6	-45.8	58.3	0	0	0	0	108.5
579	N	35.4	Very low	36.7	Very low	125 Å²	125	134.2 Å²	134.2	67%	0.668	74%	0.742	S	S	*	*			trans	71.1	153.1	171.8	-59.2	-56.7	0	0	0	116.8
580	K	36	Very low	36.8	Very low	162 Å²	162	136 Å²	136	70%	0.704	74%	0.743	S	S	*	*			cis	-169.5	144	-37.3	-122.9	175.9	-169.4	167.8	0	110.6
581	H	37.1	Very low	36.8	Very low	158 Å²	158	137.8 Å²	137.8	73%	0.731	75%	0.747	S	S	*	*			trans	65.6	159.8	154	-73.8	-44.5	0	0	0	121.3
582	N	36.2	Very low	36.7	Very low	164 Å²	164	135.5 Å²	135.5	88%	0.877	75%	0.749	S	S	*	*			trans	68.7	132.8	175.3	-52	-15.5	0	0	0	115.2
583	G	31.5	Very low	37	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	76%	0.755	S	S	*	*			cis	139.5	152.6	-3.9	0	0	0	0	0	111.6
584	I	37.1	Very low	36.9	Very low	163 Å²	163	135.1 Å²	135.1	84%	0.836	76%	0.76	S	S	*	*			trans	74.4	124.2	-175.4	-49.7	168.8	0	0	0	110.9
585	E	34.2	Very low	36.7	Very low	168 Å²	168	131.3 Å²	131.3	79%	0.785	76%	0.756	S	S	*	*			cis	107.4	149.3	22.4	-171.6	175	-107.7	0	0	112.2
586	T	39.2	Very low	36.7	Very low	131 Å²	131	134.7 Å²	134.7	80%	0.804	76%	0.756	S	S	*	*			trans	69.1	148.8	-173.5	67.1	0	0	0	0	116.6
587	D	39.8	Very low	36.8	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	76%	0.76	S	S	*	*			cis	-160.1	-174.5	-32.3	-148.5	-25.8	0	0	0	108.4
588	D	43.6	Very low	36.7	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	76%	0.756	S	S	*	*			trans	66.9	148.6	175.2	-56.6	-46.5	0	0	0	116.5
589	G	39.1	Very low	36.5	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	77%	0.765	S	S	*	*			cis	-174.6	164.6	-5.7	0	0	0	0	0	112.5
590	D	39.2	Very low	36.3	Very low	142 Å²	142	136.6 Å²	136.6	76%	0.759	77%	0.768	S	S	*	*			trans	62.7	105.5	169.9	-78.4	-32.8	0	0	0	123.7
591	Q	39.4	Very low	36	Very low	170 Å²	170	135 Å²	135	79%	0.794	77%	0.771	S	S	*	*				45.4	119.6	122.6	-57.9	-179.6	84.7	0	0	120.1
592	S	38.2	Very low	35.9	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	78%	0.775	S	S	*	*				69.6	136.4	55.9	-155	0	0	0	0	112.9
593	T	41.3	Very low	35.8	Very low	128 Å²	128	134 Å²	134	79%	0.785	77%	0.771	S	S	*	*			cis	-139.6	179.6	20.3	60	0	0	0	0	111
594	D	35.7	Very low	35.7	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	78%	0.778	S	S	*	*			cis	-147.2	167.2	-1.1	-162.8	7.1	0	0	0	109.6
595	A	36.7	Very low	35.6	Very low	79 Å²	79	137.3 Å²	137.3	65%	0.653	78%	0.779	S	S	*	*			trans	-143.1	162.5	179.6	0	0	0	0	0	113.5
596	K	34.7	Very low	35.5	Very low	188 Å²	188	136.4 Å²	136.4	82%	0.817	78%	0.779	S	S	*	*			trans	-151.1	92.6	161	-111.8	145.2	-166.4	148.5	0	113.1
597	S	30.5	Very low	35.2	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	79%	0.787	S	S	*	*			trans	-127.8	131.4	159.5	-70.7	0	0	0	0	107.5
598	I	31.3	Very low	34.7	Very low	146 Å²	146	141.2 Å²	141.2	75%	0.749	79%	0.785	S	S	*	*			trans	-124.4	107.2	174.8	-66	-178.8	0	0	0	109.1	I600	I598-I600 HydrophobicContact CG2-CD1 4.1Å; I598-I600 HydrophobicContact CG2-CG1 3.88Å
599	T	31.3	Very low	34.3	Very low	127 Å²	127	140.1 Å²	140.1	78%	0.779	78%	0.779	S	S	*	*			trans	-100.6	132.7	163.1	-57.5	0	0	0	0	107.7	V601	T599-V601 HydrophobicContact CG2-CG2 4.22Å
600	I	31	Very low	33.9	Very low	142 Å²	142	143.2 Å²	143.2	73%	0.728	78%	0.779	S	S	*	*			trans	-123	116.2	170	-62.5	180	0	0	0	108.9	I598	I598-I600 HydrophobicContact CG2-CD1 4.1Å; I598-I600 HydrophobicContact CG2-CG1 3.88Å
601	V	29.4	Very low	33.6	Very low	129 Å²	129	141.4 Å²	141.4	78%	0.782	78%	0.777	S	S	*	*			trans	-119.8	117.8	169.2	175.3	0	0	0	0	108.4	T599	T599-V601 HydrophobicContact CG2-CG2 4.22Å
602	K	35.1	Very low	33.2	Very low	188 Å²	188	137.5 Å²	137.5	82%	0.817	77%	0.769	S	S	*	*			trans	-149.8	140.4	165.7	-69.8	-174.7	179.3	174.9	0	108.2
603	S	33.3	Very low	32.8	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	77%	0.771	S	S	*	*			cis	-170.1	137.3	-16.7	44.7	0	0	0	0	107.8
604	A	28.8	Very low	32.4	Very low	97 Å²	97	138.8 Å²	138.8	80%	0.802	77%	0.772	S	S	*	*			trans	-96.2	145.3	-175.5	0	0	0	0	0	114
605	K	35.9	Very low	32.1	Very low	198 Å²	198	139.8 Å²	139.8	86%	0.861	78%	0.777	S	S	*	*			trans	-136	110.3	154	-70.8	-175.4	178.3	-179.9	0	106.4
606	L	31	Very low	31.9	Very low	150 Å²	150	146 Å²	146	79%	0.785	79%	0.79	S	S	*	*				62.7	100.3	79.3	-75.4	172	0	0	0	113.7
607	L	34	Very low	31.7	Very low	183 Å²	183	142.3 Å²	142.3	96%	0.958	79%	0.788	S	S	*	*				-145.9	157.5	119.1	-104.4	164.4	0	0	0	108.7
608	R	29.5	Very low	31.8	Very low	192 Å²	192	144.6 Å²	144.6	73%	0.725	79%	0.791	S	S	*	*			trans	-138	143.9	-163.2	174.8	-163.8	-90.6	-178.6	-6.9	109.9
609	N	34.6	Very low	31.8	Very low	136 Å²	136	146.6 Å²	146.6	73%	0.727	79%	0.794	S	S	*	*			trans	165.1	122.8	139.2	-79.3	-17.6	0	0	0	107.2
610	N	30.5	Very low	31.9	Very low	136 Å²	136	148.4 Å²	148.4	73%	0.727	80%	0.799	S	S	*	*				64.8	127.6	66.5	-66.3	3	0	0	0	111.6
611	S	33.6	Very low	31.7	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	80%	0.799	S	S	*	*			cis	-157.9	156.7	15.6	55.8	0	0	0	0	116.3
612	S	31.6	Very low	31.6	Very low	88 Å²	88	151.7 Å²	151.7	62%	0.615	80%	0.801	S	S	*	*			trans	59.1	115.7	137.1	63.5	0	0	0	0	123.3
613	T	29.6	Very low	31.6	Very low	133 Å²	133	148 Å²	148	82%	0.816	80%	0.799	S	S	*	*			trans	64.1	150	134	62.7	0	0	0	0	119.5
614	T	32.6	Very low	31.4	Very low	130 Å²	130	151.5 Å²	151.5	80%	0.798	80%	0.802	S	S	*	*			cis	-138.7	169	21	48.2	0	0	0	0	113.6
615	N	28.5	Very low	31.5	Very low	161 Å²	161	153.3 Å²	153.3	86%	0.861	80%	0.797	S	S	*	*			trans	-58.9	141.4	175.7	-62.6	-36.8	0	0	0	114.8
616	K	33.5	Very low	31	Very low	210 Å²	210	153 Å²	153	91%	0.913	79%	0.791	S	S	*	*			trans	-151.1	134	135.7	-123.1	171.5	-174	175.3	0	110.7
617	S	30.2	Very low	31	Very low	111 Å²	111	155.6 Å²	155.6	78%	0.776	79%	0.79	S	S	*	*			trans	-80.6	139.5	-179.1	52	0	0	0	0	111.8
618	N	32.5	Very low	30.7	Very low	163 Å²	163	151 Å²	151	87%	0.872	78%	0.779	S	S	*	*			trans	-146.8	143.6	139	-118.5	-6.7	0	0	0	109.9
619	F	31.2	Very low	30.6	Very low	188 Å²	188	152.1 Å²	152.1	83%	0.825	79%	0.785	S	S	*	*			trans	-70.5	144.8	165	-92.8	-118.1	0	0	0	108.6
620	D	33.2	Very low	30.3	Very low	165 Å²	165	150.6 Å²	150.6	88%	0.882	78%	0.78	S	S	*	*			trans	-142.5	138.4	138.7	-125.9	-33.2	0	0	0	110
621	Y	27	Very low	30.1	Very low	187 Å²	187	152.4 Å²	152.4	73%	0.733	79%	0.788	S	S	*	*			trans	-120.5	141.7	-172.2	-156.3	-87.2	0	0	0	108.1
622	N	28.1	Very low	29.9	Very low	153 Å²	153	152.7 Å²	152.7	82%	0.818	79%	0.786	S	S	*	*			trans	75.9	96.4	-168.9	-43.5	-76.5	0	0	0	115.1
623	S	33.6	Very low	29.8	Very low	110 Å²	110	154.1 Å²	154.1	77%	0.769	78%	0.781	S	S	*	*			trans	-138.9	150	143.2	62.1	0	0	0	0	110.3	I625	S623-I625 PolarHBondContact O-N 2.76Å
624	H	29.3	Very low	29.8	Very low	186 Å²	186	152.8 Å²	152.8	86%	0.861	77%	0.774	S	S	*	*			trans	-70.6	121.8	-158	-49	-82.1	0	0	0	114.1
625	I	30.9	Very low	29.8	Very low	135 Å²	135	152.1 Å²	152.1	69%	0.692	77%	0.773	S	S	*	*			trans	-99	88	162.3	-57.4	-176.1	0	0	0	109.2	S623 R627	S623-I625 PolarHBondContact O-N 2.76Å; I625-R627 HydrophobicContact CG2-CB 4.16Å; I625-R627 HydrophobicContact CG2-CG 3.84Å; I625-R627 PolarHBondContact O-N 3.42Å
626	R	26.6	Very low	29.8	Very low	191 Å²	191	151.6 Å²	151.6	72%	0.721	77%	0.765	S	S	*	*			trans	-68.2	108.3	154	-73.3	-177.2	175.4	-164.7	-3.1	107.2	E501	E501-R626 VanDerWaalsContact CD-NH1 3.34Å; E501-R626 VanDerWaalsContact CD-NH2 3.33Å; E501-R626 IonicContact OE1-CZ 2.71Å; E501-R626 IonicContact OE1-NH1 2.8Å; E501-R626 IonicContact OE1-NH2 3.92Å; E501-R626 PolarHBondContact OE1-NH2 3.04Å; E501-R626 IonicContact OE2-CZ 2.68Å; E501-R626 IonicContact OE2-NH1 3.16Å; E501-R626 PolarHBondContact OE2-NH1 3.11Å; E501-R626 IonicContact OE2-NH2 2.64Å; E501-R626 PolarHBondContact OE2-NH2 3.27Å
627	R	30.5	Very low	29.5	Very low	205 Å²	205	150.3 Å²	150.3	77%	0.774	76%	0.759	S	S	*	*			trans	-113.2	109	167.1	-105.2	180	174.6	159.9	0	110.1	I625	I625-R627 HydrophobicContact CG2-CB 4.16Å; I625-R627 HydrophobicContact CG2-CG 3.84Å; I625-R627 PolarHBondContact O-N 3.42Å
628	A	26.8	Very low	29.4	Very low	88 Å²	88	152.7 Å²	152.7	73%	0.727	76%	0.762	S	S	*	*			trans	-71.4	131.2	161.6	0	0	0	0	0	108.5	T630	A628-T630 VanDerWaalsContact C-N 3.33Å; A628-T630 PolarHBondContact O-N 2.86Å
629	Y	27.3	Very low	29.1	Very low	214 Å²	214	152.6 Å²	152.6	84%	0.839	76%	0.76	S	S	*	*			trans	-78.4	85.1	171.7	-69.1	-79.3	0	0	0	109.5
630	T	28.3	Very low	29.1	Very low	104 Å²	104	147 Å²	147	64%	0.638	74%	0.742	S	S	*	*			trans	-65.4	132	157	47.3	0	0	0	0	108.9	A628 T632	A628-T630 VanDerWaalsContact C-N 3.33Å; A628-T630 PolarHBondContact O-N 2.86Å; T630-T632 PolarHBondContact O-N 3.05Å
631	I	28.3	Very low	28.9	Very low	174 Å²	174	144.5 Å²	144.5	89%	0.892	74%	0.737	S	S	*	*			trans	-73.7	79	170.3	-54.6	175.8	0	0	0	107.9	K633	I631-K633 PolarHBondContact O-N 2.63Å
632	T	27.7	Very low	28.9	Very low	111 Å²	111	145.6 Å²	145.6	68%	0.681	75%	0.745	S	S	*	*			trans	-71	121.8	168.6	46.7	0	0	0	0	108.6	T630	T630-T632 PolarHBondContact O-N 3.05Å
633	K	29.8	Very low	28.8	Very low	118 Å²	118	142.6 Å²	142.6	51%	0.513	74%	0.742	S	S	.	*			trans	-44.9	138.3	170.9	-68.2	-177.8	175.6	-176.9	0	110.5	I631 D810	I631-K633 PolarHBondContact O-N 2.63Å; K633-D810 VanDerWaalsContact NZ-CG 3.32Å; K633-D810 IonicContact NZ-OD2 3.28Å; K633-D810 PolarHBondContact NZ-OD2 2.96Å
634	P	30.5	Very low	28.7	Very low	104 Å²	104	142.8 Å²	142.8	68%	0.675	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60.4	149.1	169.3	28.2	-34	0	0	0	109.6	E636	P634-E636 PolarHBondContact O-N 3.32Å
635	P	31.4	Very low	28.8	Very low	117 Å²	117	139 Å²	139	76%	0.76	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61.9	127.9	179.5	25.9	-33.8	0	0	0	110.5
636	E	29.9	Very low	28.7	Very low	149 Å²	149	137.6 Å²	137.6	70%	0.696	71%	0.714	S	S	*	*	S	Bend	trans	-60.6	145.2	-179.8	-65.8	173.3	-160.5	0	0	112.1	P634	P634-E636 PolarHBondContact O-N 3.32Å
637	K	27.2	Very low	28.9	Very low	183 Å²	183	135.2 Å²	135.2	80%	0.796	72%	0.715	S	S	*	*			trans	63.1	70.3	167.5	-60.7	166	-175.8	159.5	0	115.6
638	L	26.7	Very low	28.8	Very low	161 Å²	161	130.3 Å²	130.3	84%	0.843	71%	0.712	S	S	*	*			trans	-103.4	117.5	142.9	-70.4	178.4	0	0	0	108.8	T640	L638-T640 PolarHBondContact O-N 3.49Å
639	I	27.2	Very low	28.8	Very low	162 Å²	162	132.1 Å²	132.1	83%	0.831	72%	0.719	S	S	*	*			trans	-69.3	121	-174.4	-64.5	168.4	0	0	0	109.4	S641	I639-S641 PolarHBondContact O-N 3.26Å
640	T	31.7	Very low	28.9	Very low	70 Å²	70	127 Å²	127	43%	0.429	72%	0.715	S	S	.	*			trans	-66.3	114.2	170.9	42.2	0	0	0	0	109.7	L638 K642 T839	L638-T640 PolarHBondContact O-N 3.49Å; T640-K642 PolarHBondContact O-N 2.86Å; T640-T839 PolarHBondContact OG1-O 2.89Å
641	S	27.8	Very low	29	Very low	113 Å²	113	126.4 Å²	126.4	79%	0.79	73%	0.729	S	S	*	*			trans	-76.9	81.8	-171.5	55.6	0	0	0	0	112.7	I639 A643	I639-S641 PolarHBondContact O-N 3.26Å; S641-A643 PolarHBondContact O-N 3.07Å
642	K	27	Very low	29.2	Very low	209 Å²	209	127.8 Å²	127.8	91%	0.909	73%	0.729	S	S	*	*	S	Bend	trans	24.2	80	157.7	-67.6	-174.8	175.8	-178.2	0	116.6	T640	T640-K642 PolarHBondContact O-N 2.86Å
643	A	25.8	Very low	29.1	Very low	90 Å²	90	127.8 Å²	127.8	74%	0.744	73%	0.733	S	S	*	*			trans	-145.5	29.6	166.3	0	0	0	0	0	113.3	S641 I645	S641-A643 PolarHBondContact O-N 3.07Å; A643-I645 PolarHBondContact O-N 2.97Å
644	Y	31	Very low	29.2	Very low	114 Å²	114	130.1 Å²	130.1	45%	0.447	75%	0.75	S	S	.	*			trans	-79.1	118.1	174.5	-86.4	-73.8	0	0	0	111.2	S646 A837	Y644-S646 PolarHBondContact O-N 3.11Å; Y644-A837 WeakPolarHBondContact CD1-O 3.44Å; Y644-A837 WeakPolarHBondContact CD2-O 3.13Å; Y644-A837 HydrophobicContact CE1-CB 4.24Å; Y644-A837 WeakPolarHBondContact CE1-O 3.3Å; Y644-A837 WeakPolarHBondContact CE2-O 3.4Å
645	I	33.2	Very low	29.3	Very low	107 Å²	107	132.8 Å²	132.8	55%	0.549	76%	0.759	S	S	.	*			trans	-68.7	110.8	173.9	-59.6	174.7	0	0	0	108.2	A643 L647	A643-I645 PolarHBondContact O-N 2.97Å; I645-L647 HydrophobicContact CG2-CD2 4.08Å; I645-L647 HydrophobicContact CG2-CG 4.24Å; I645-L647 PolarHBondContact O-N 3.33Å
646	S	27.9	Very low	29.1	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	76%	0.759	S	S	*	*			trans	-73.5	88.8	176.4	56.7	0	0	0	0	110.6	Y644 S648	Y644-S646 PolarHBondContact O-N 3.11Å; S646-S648 PolarHBondContact O-N 2.83Å
647	L	29.8	Very low	29.2	Very low	142 Å²	142	134 Å²	134	74%	0.743	76%	0.764	S	S	*	*			trans	-72.5	73.1	175.4	-69.1	173.8	0	0	0	111.6	I645	I645-L647 HydrophobicContact CG2-CD2 4.08Å; I645-L647 HydrophobicContact CG2-CG 4.24Å; I645-L647 PolarHBondContact O-N 3.33Å
648	S	29.5	Very low	29.4	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	77%	0.766	S	S	*	*			trans	-79.2	115.8	169	49.2	0	0	0	0	110.7	S646 S650	S646-S648 PolarHBondContact O-N 2.83Å; S648-S650 PolarHBondContact O-N 3.23Å
649	S	26.8	Very low	29.6	Very low	126 Å²	126	133 Å²	133	88%	0.881	76%	0.761	S	S	*	*			trans	-79.1	114.4	-175.7	44.6	0	0	0	0	112.4
650	S	30.2	Very low	29.8	Very low	107 Å²	107	130 Å²	130	75%	0.748	75%	0.754	S	S	*	*			trans	-142.8	44.5	174.3	60.7	0	0	0	0	113.7	S648 K652	S648-S650 PolarHBondContact O-N 3.23Å; S650-K652 PolarHBondContact O-N 3.13Å
651	G	29.2	Very low	29.5	Very low	91 Å²	91	132.4 Å²	132.4	94%	0.938	77%	0.769	S	S	*	*			trans	-69.1	61.8	174.5	0	0	0	0	0	114.4
652	K	32	Very low	29.7	Very low	203 Å²	203	133.3 Å²	133.3	88%	0.883	77%	0.77	S	S	*	*			trans	-90.3	109.1	167.4	-80	-170.8	176.2	-178.2	0	109.8	S650	S650-K652 PolarHBondContact O-N 3.13Å
653	S	27.3	Very low	29.7	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	76%	0.764	S	S	*	*			trans	-64.7	130.5	170.3	-178.9	0	0	0	0	111.1
654	L	31.8	Very low	30	Very low	167 Å²	167	131.3 Å²	131.3	87%	0.874	77%	0.766	S	S	*	*			trans	-147.8	151.6	155.1	-143.4	74.3	0	0	0	109.4
655	N	32	Very low	30.1	Very low	160 Å²	160	131.4 Å²	131.4	86%	0.856	78%	0.779	S	S	*	*			trans	-76.2	157.9	-166.2	-86.2	-36.8	0	0	0	114.9
656	N	27.3	Very low	30.3	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	79%	0.786	S	S	*	*			trans	-66.1	164	169.9	-75.5	-27.9	0	0	0	113.7
657	N	31.4	Very low	30.7	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	79%	0.788	S	S	*	*			trans	98.3	142.7	159.7	-58	-29.1	0	0	0	117.9
658	Q	32.8	Very low	30.8	Very low	179 Å²	179	132.6 Å²	132.6	84%	0.836	78%	0.781	S	S	*	*			trans	72.9	143	173.7	-50.5	-163.7	4.7	0	0	115.7
659	I	30.8	Very low	31.1	Very low	142 Å²	142	133.8 Å²	133.8	73%	0.728	78%	0.784	S	S	*	*			cis	-173.1	154.9	-30.7	-113.3	158.6	0	0	0	105.7
660	S	29.9	Very low	31.4	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	77%	0.773	S	S	*	*			trans	61.1	116.1	167.8	-76.7	0	0	0	0	118.7
661	T	27	Very low	31.7	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	78%	0.78	S	S	*	*				70.9	96.4	66.9	66.3	0	0	0	0	116.9
662	T	30.8	Very low	31.8	Very low	132 Å²	132	139.2 Å²	139.2	81%	0.81	77%	0.772	S	S	*	*			trans	-173.4	117.4	139.4	34.9	0	0	0	0	106.8
663	T	26.8	Very low	32.1	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	77%	0.774	S	S	*	*				71	98	54	66.9	0	0	0	0	116.7
664	T	33.2	Very low	32.2	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	78%	0.776	S	S	*	*			trans	-150.6	119.6	147.3	0.7	0	0	0	0	110.2
665	T	33	Very low	32.2	Very low	116 Å²	116	138.2 Å²	138.2	71%	0.712	76%	0.764	S	S	*	*			trans	27.7	137.9	136.8	57.5	0	0	0	0	119.4
666	A	36.3	Very low	32.3	Very low	85 Å²	85	137.7 Å²	137.7	70%	0.702	76%	0.761	S	S	*	*			cis	-173.8	161.6	18.7	0	0	0	0	0	110.5
667	E	36.4	Very low	32.4	Very low	164 Å²	164	139.3 Å²	139.3	77%	0.766	76%	0.764	S	S	*	*			cis	-155.6	-103.1	-17.9	-118.3	156	-124.4	0	0	114
668	E	33.1	Very low	32.5	Very low	130 Å²	130	141.4 Å²	141.4	61%	0.607	77%	0.769	S	S	*	*			trans	-135.4	169.4	-161.8	-46.5	-161	134.2	0	0	112.2	K670	E668-K670 VanDerWaalsContact CD-CE 3.45Å; E668-K670 WeakPolarHBondContact OE1-CE 3.28Å; E668-K670 IonicContact OE1-NZ 3Å; E668-K670 PolarHBondContact OE1-NZ 2.96Å; E668-K670 VanDerWaalsContact OE2-CE 3.31Å; E668-K670 WeakPolarHBondContact OE2-CE 3.49Å; E668-K670 IonicContact OE2-NZ 3.31Å; E668-K670 PolarHBondContact OE2-NZ 3.45Å
669	T	35.1	Very low	32.3	Very low	126 Å²	126	138.4 Å²	138.4	77%	0.773	77%	0.768	S	S	*	*			cis	-149.8	141.5	41.8	46.7	0	0	0	0	111.6
670	K	33	Very low	32.5	Very low	150 Å²	150	138 Å²	138	65%	0.652	77%	0.774	S	S	*	*			cis	89.8	92.8	48.6	-80.9	-177.8	177	162.5	0	116.6	E668	E668-K670 VanDerWaalsContact CD-CE 3.45Å; E668-K670 WeakPolarHBondContact OE1-CE 3.28Å; E668-K670 IonicContact OE1-NZ 3Å; E668-K670 PolarHBondContact OE1-NZ 2.96Å; E668-K670 VanDerWaalsContact OE2-CE 3.31Å; E668-K670 WeakPolarHBondContact OE2-CE 3.49Å; E668-K670 IonicContact OE2-NZ 3.31Å; E668-K670 PolarHBondContact OE2-NZ 3.45Å
671	T	36.8	Very low	32.4	Very low	143 Å²	143	144.3 Å²	144.3	88%	0.877	78%	0.783	S	S	*	*			trans	-166.7	117.6	141.1	39.8	0	0	0	0	108
672	N	31.1	Very low	32.4	Very low	146 Å²	146	143.5 Å²	143.5	78%	0.781	78%	0.782	S	S	*	*			cis	100.4	85.2	16.8	-166.1	21.8	0	0	0	116.1
673	V	37.5	Very low	32.6	Very low	153 Å²	153	146.9 Å²	146.9	93%	0.927	79%	0.789	S	S	*	*			trans	-138.5	156.5	152.7	-177.4	0	0	0	0	108.1
674	R	30	Very low	32.6	Very low	212 Å²	212	145.5 Å²	145.5	80%	0.8	78%	0.784	S	S	*	*			trans	-132.9	168.6	-152.6	-166	-170	175.2	170.5	0.4	113.4
675	C	32.6	Very low	32.6	Very low	94 Å²	94	147 Å²	147	64%	0.635	79%	0.787	S	S	*	*			trans	87.6	143.6	161	-63.3	0	0	0	0	117
676	N	32.7	Very low	32.4	Very low	149 Å²	149	149.8 Å²	149.8	80%	0.797	79%	0.792	S	S	*	*			cis	-153.3	164.2	-12.8	-119.6	-2	0	0	0	111.8
677	Q	30.5	Very low	32	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	80%	0.799	S	S	*	*			trans	-85.9	144.8	176.2	-60.5	173.2	0.2	0	0	112.1
678	Q	32.5	Very low	31.5	Very low	192 Å²	192	157 Å²	157	90%	0.897	80%	0.803	S	S	*	*			trans	-165.2	133.9	142.2	-111.5	156.5	1.8	0	0	112.2
679	S	29.2	Very low	31.2	Very low	116 Å²	116	156.1 Å²	156.1	81%	0.811	81%	0.811	S	S	*	*			trans	-117	155.3	159.3	-53.4	0	0	0	0	108.1
680	P	34.9	Very low	30.8	Very low	132 Å²	132	156.5 Å²	156.5	86%	0.857	81%	0.808	S	S	*	*				-133.3	176.1	129.5	36.7	-26.7	0	0	0	113.5
681	R	27.6	Very low	30.6	Very low	234 Å²	234	156.9 Å²	156.9	88%	0.883	81%	0.814	S	S	*	*			trans	-83.1	155.4	-169.1	-58.3	167.1	161	149.3	-8.8	113.4
682	S	27.7	Very low	30.1	Very low	103 Å²	103	156.4 Å²	156.4	72%	0.72	81%	0.806	S	S	*	*			trans	38.3	126.8	137.1	65.8	0	0	0	0	121
683	E	34.6	Very low	29.9	Very low	203 Å²	203	154 Å²	154	95%	0.949	80%	0.801	S	S	*	*				-150.9	163.5	125.8	-122.2	164.7	-145.8	0	0	110.8
684	S	27.5	Very low	29.5	Very low	98 Å²	98	153.5 Å²	153.5	69%	0.685	80%	0.798	S	S	*	*			trans	-115	153	-169.8	55.9	0	0	0	0	112.4
685	N	32.2	Very low	29.4	Very low	162 Å²	162	147 Å²	147	87%	0.866	80%	0.798	S	S	*	*			trans	-168.8	155.8	134.6	-96.5	-39.9	0	0	0	112.7
686	H	28.7	Very low	29.3	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.806	80%	0.798	S	S	*	*			trans	-96.8	148.2	-178.3	-52.6	-83.5	0	0	0	112.3
687	Q	29.3	Very low	29.7	Very low	181 Å²	181	145.6 Å²	145.6	85%	0.846	79%	0.785	S	S	*	*			trans	-161.1	106.9	134.2	-120.4	161.6	-32.9	0	0	116.4
688	Y	25	Very low	30.3	Very low	219 Å²	219	143.1 Å²	143.1	86%	0.859	78%	0.778	S	S	*	*			trans	65.5	144.5	136.7	-85.5	-105.6	0	0	0	124.9
689	S	27.5	Very low	31.3	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	75%	0.752	S	S	*	*			trans	81.5	140.5	151.2	-166.3	0	0	0	0	118.6
690	L	26.2	Very low	32.3	Very low	135 Å²	135	137.5 Å²	137.5	71%	0.707	75%	0.751	S	S	*	*			cis	-176.8	158.6	-25.9	-171	67.8	0	0	0	105.7
691	M	29.3	Very low	33.9	Very low	157 Å²	157	135.7 Å²	135.7	77%	0.773	73%	0.73	S	S	*	*			trans	71.4	148.8	174.1	-56	-65.1	171.1	0	0	116.4
692	D	24.9	Very low	36.3	Very low	133 Å²	133	129.2 Å²	129.2	71%	0.711	71%	0.712	S	S	*	*			cis	-158	158.8	-32.9	-158.6	-4.5	0	0	0	110
693	S	26.7	Very low	39.1	Very low	97 Å²	97	124.8 Å²	124.8	68%	0.678	68%	0.681	S	S	*	*			trans	-4	119.5	161.1	-55.3	0	0	0	0	119.9
694	T	30.4	Very low	41.6	Very low	141 Å²	141	117.3 Å²	117.3	87%	0.865	65%	0.654	S	S	*	*				-168	150.7	129.9	10.4	0	0	0	0	110.8
695	G	27.8	Very low	44.4	Very low	77 Å²	77	115.6 Å²	115.6	79%	0.794	64%	0.639	S	S	*	*			trans	-86.6	110.7	174.4	0	0	0	0	0	111	S697	G695-S697 PolarHBondContact O-N 2.87Å
696	E	30.7	Very low	47.1	Very low	137 Å²	137	112.6 Å²	112.6	64%	0.64	62%	0.623	S	S	*	*			trans	-71.1	118.5	173.9	-63.2	-166.5	132.3	0	0	110	R745	E696-R745 IonicContact OE1-CZ 2.66Å; E696-R745 IonicContact OE1-NH1 2.7Å; E696-R745 PolarHBondContact OE1-NH1 3.37Å; E696-R745 IonicContact OE1-NH2 2.64Å; E696-R745 PolarHBondContact OE1-NH2 3.47Å
697	S	40.5	Very low	50.1	Low	75 Å²	75	106 Å²	106	52%	0.524	59%	0.594	S	S	.	*			trans	-79.4	148	177	51.3	0	0	0	0	111.3	G695 H699	G695-S697 PolarHBondContact O-N 2.87Å; S697-H699 PolarHBondContact O-N 3.04Å; S697-H699 PolarHBondContact OG-CD2 2.7Å
698	N	43.9	Very low	53.1	Low	127 Å²	127	99.4 Å²	99.4	68%	0.679	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-70.2	15.2	-175	-63.9	-35.3	0	0	0	114.7	S700	N698-S700 VanDerWaalsContact C-N 3.25Å; N698-S700 PolarHBondContact O-N 3.1Å
699	H	52	Low	56.4	Low	76 Å²	76	89 Å²	89	35%	0.352	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-82.5	5.3	179.1	-49.4	-50.5	0	0	0	113.6	S697 K701 E712	S697-H699 PolarHBondContact O-N 3.04Å; S697-H699 PolarHBondContact OG-CD2 2.7Å; H699-K701 VanDerWaalsContact C-N 3.28Å; H699-K701 PolarHBondContact O-N 3.36Å; H699-E712 IonicContact CE1-OE2 3.61Å; H699-E712 PolarHBondContact CE1-OE2 2.9Å; H699-E712 IonicContact ND1-OE2 3.76Å
700	S	51.8	Low	59.6	Low	114 Å²	114	84.7 Å²	84.7	80%	0.797	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-75.7	-5.6	-172.5	55.5	0	0	0	0	115.4	N698	N698-S700 VanDerWaalsContact C-N 3.25Å; N698-S700 PolarHBondContact O-N 3.1Å
701	K	68.8	Low	62.8	Low	95 Å²	95	78.3 Å²	78.3	41%	0.413	46%	0.455	S	S	.	.	S	Bend	trans	-88.6	122.3	174.9	-173.6	176.1	173.7	-171.5	0	111	H699 I703 V782 D784	H699-K701 VanDerWaalsContact C-N 3.28Å; H699-K701 PolarHBondContact O-N 3.36Å; K701-I703 PolarHBondContact O-N 3.25Å; K701-V782 HydrophobicContact CD-CB 4.07Å; K701-V782 HydrophobicContact CD-CG1 4.03Å; K701-V782 HydrophobicContact CD-CG2 4.35Å; K701-V782 HydrophobicContact CG-CG2 4.42Å; K701-D784 HydrophobicContact CD-CB 4.22Å; K701-D784 VanDerWaalsContact NZ-CB 3.33Å
702	L	77.6	Confident	65.8	Low	98 Å²	98	73.5 Å²	73.5	51%	0.513	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-57.7	125.7	169.2	-66.1	176.1	0	0	0	110.3	V741	L702-V741 HydrophobicContact CD2-CB 4.06Å
703	I	86.4	Confident	68.8	Low	10 Å²	10	72.1 Å²	72.1	5%	0.051	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-71.5	133.8	172.6	-57.5	167.1	0	0	0	109.2	K701 D707 L709 C734 P739 V741 I763 I777 V780 V782	K701-I703 PolarHBondContact O-N 3.25Å; I703-D707 HydrophobicContact CG2-CB 4.24Å; I703-L709 HydrophobicContact CD1-CD1 4.32Å; I703-L709 HydrophobicContact CD1-CD2 4.24Å; I703-L709 HydrophobicContact CG1-CD2 4.08Å; I703-L709 HydrophobicContact CG2-CD1 4.42Å; I703-L709 HydrophobicContact CG2-CD2 3.85Å; I703-C734 HydrophobicContact CG2-CB 4Å; I703-P739 HydrophobicContact CG2-CB 4.46Å; I703-P739 VanDerWaalsContact O-CB 3.31Å; I703-P739 WeakPolarHBondContact O-CB 3.47Å; I703-P739 WeakPolarHBondContact O-CG 3.49Å; I703-V741 HydrophobicContact CD1-CG2 4.28Å; I703-V741 HydrophobicContact CG1-CG2 4.26Å; I703-I763 HydrophobicContact CB-CD1 3.99Å; I703-I763 HydrophobicContact CD1-CD1 3.7Å; I703-I763 HydrophobicContact CG1-CD1 4.44Å; I703-I763 HydrophobicContact CG2-CD1 3.51Å; I703-I777 HydrophobicContact CD1-CG2 4.35Å; I703-V780 HydrophobicContact CD1-CG2 4.39Å; I703-V782 HydrophobicContact CB-CG2 4.28Å; I703-V782 HydrophobicContact CG1-CG2 3.69Å
704	A	86.2	Confident	72	Confident	46 Å²	46	74 Å²	74	38%	0.38	42%	0.418	S	S	.	.			trans	-107	167	172.2	0	0	0	0	0	112.4	D707 C734	A704-D707 PolarHBondContact N-OD2 3.03Å; A704-D707 WeakPolarHBondContact O-CB 3.49Å; A704-D707 PolarHBondContact O-N 2.89Å; A704-C734 WeakPolarHBondContact O-CB 3.38Å; A704-C734 PolarHBondContact O-SG 3.12Å
705	T	87.7	Confident	74.7	Confident	62 Å²	62	67.5 Å²	67.5	38%	0.38	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	133.2	174.8	-49.8	0	0	0	0	110.2	D707 D736	T705-D707 VanDerWaalsContact C-N 3.3Å; T705-D736 WeakPolarHBondContact CB-O 3.3Å; T705-D736 WeakPolarHBondContact CG2-O 3.33Å; T705-D736 PolarHBondContact OG1-O 3.31Å
706	N	87.5	Confident	77.6	Confident	99 Å²	99	70.7 Å²	70.7	53%	0.529	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	5.3	-169	-46	-81.7	0	0	0	116.2	C734	N706-C734 VanDerWaalsContact CA-O 3.24Å; N706-C734 WeakPolarHBondContact CA-O 3.19Å; N706-C734 PolarHBondContact N-O 3.3Å
707	D	91.6	Very high	80.1	Confident	36 Å²	36	65.6 Å²	65.6	19%	0.193	36%	0.359	C	S	.	.			trans	-60.4	140.8	167.5	-85.7	-7.6	0	0	0	110.5	I703 A704 T705 L709 C734 V782	I703-D707 HydrophobicContact CG2-CB 4.24Å; A704-D707 PolarHBondContact N-OD2 3.03Å; A704-D707 WeakPolarHBondContact O-CB 3.49Å; A704-D707 PolarHBondContact O-N 2.89Å; T705-D707 VanDerWaalsContact C-N 3.3Å; D707-L709 HydrophobicContact CB-CD2 4.29Å; D707-C734 HydrophobicContact CB-CB 4.36Å; D707-C734 WeakPolarHBondContact O-CB 3.46Å; D707-C734 PolarHBondContact O-N 3.49Å; D707-V782 HydrophobicContact CB-CG1 4.28Å
708	W	93.3	Very high	82.1	Confident	42 Å²	42	65 Å²	65	16%	0.159	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.1	167.9	-66.3	97.4	0	0	0	109.6	I731 L732 K733 I783 L789 L793	W708-I731 HydrophobicContact CE3-CG2 4.03Å; W708-L732 WeakPolarHBondContact CA-O 3.27Å; W708-K733 HydrophobicContact CE3-CB 4.08Å; W708-K733 HydrophobicContact CE3-CG 4.5Å; W708-K733 HydrophobicContact CH2-CB 4.3Å; W708-K733 HydrophobicContact CH2-CD 4.05Å; W708-K733 HydrophobicContact CH2-CG 4.32Å; W708-K733 HydrophobicContact CZ2-CD 4.29Å; W708-K733 HydrophobicContact CZ2-CG 4.49Å; W708-K733 HydrophobicContact CZ3-CB 3.86Å; W708-K733 HydrophobicContact CZ3-CD 4.45Å; W708-K733 HydrophobicContact CZ3-CG 4.32Å; W708-I783 HydrophobicContact CB-CD1 4.26Å; W708-I783 PolarHBondContact O-N 3.05Å; W708-L789 HydrophobicContact CB-CD1 3.56Å; W708-L789 HydrophobicContact CB-CD2 4.5Å; W708-L789 HydrophobicContact CD2-CD1 4.1Å; W708-L789 HydrophobicContact CG-CD1 3.48Å; W708-L789 VanDerWaalsContact CG-CD1 3.48Å; W708-L789 HydrophobicContact CG-CD2 4.26Å; W708-L793 HydrophobicContact CH2-CD2 3.99Å; W708-L793 HydrophobicContact CZ2-CD2 3.98Å; W708-L793 HydrophobicContact CZ3-CD2 4.31Å
709	L	94	Very high	83.8	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.3	-178	-48.3	179.3	0	0	0	109.9	I703 D707 I731 L732 C734 V780 R781 V782	I703-L709 HydrophobicContact CD1-CD1 4.32Å; I703-L709 HydrophobicContact CD1-CD2 4.24Å; I703-L709 HydrophobicContact CG1-CD2 4.08Å; I703-L709 HydrophobicContact CG2-CD1 4.42Å; I703-L709 HydrophobicContact CG2-CD2 3.85Å; D707-L709 HydrophobicContact CB-CD2 4.29Å; L709-I731 WeakPolarHBondContact O-CA 3.22Å; L709-L732 HydrophobicContact CB-CB 4.32Å; L709-L732 PolarHBondContact N-O 2.89Å; L709-L732 PolarHBondContact O-N 3.31Å; L709-C734 HydrophobicContact CD1-CB 4.38Å; L709-V780 HydrophobicContact CB-CB 4.35Å; L709-V780 HydrophobicContact CD1-CB 4.45Å; L709-V780 HydrophobicContact CD1-CG2 4.11Å; L709-R781 CarbonylContact C-O 3.57Å; L709-R781 WeakPolarHBondContact CA-O 3.49Å; L709-R781 WeakPolarHBondContact CB-O 3.11Å; L709-V782 HydrophobicContact CD2-CB 4.32Å; L709-V782 HydrophobicContact CD2-CG2 3.85Å
710	I	93.8	Very high	84.9	Confident	22 Å²	22	69.3 Å²	69.3	11%	0.113	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.3	168.8	-177.3	165.8	0	0	0	109.5	D730 I731 V780 R781 I783	I710-D730 WeakPolarHBondContact CA-O 3.26Å; I710-I731 HydrophobicContact CB-CD1 3.82Å; I710-I731 HydrophobicContact CD1-CD1 3.83Å; I710-I731 HydrophobicContact CG1-CD1 3.71Å; I710-V780 VanDerWaalsContact O-CA 3.28Å; I710-V780 WeakPolarHBondContact O-CA 3.47Å; I710-R781 HydrophobicContact CG2-CG 3.55Å; I710-R781 VanDerWaalsContact CG2-CZ 3.49Å; I710-R781 PolarHBondContact N-O 3.41Å; I710-R781 PolarHBondContact O-N 3.07Å; I710-I783 HydrophobicContact CB-CD1 3.96Å; I710-I783 HydrophobicContact CB-CG1 3.9Å; I710-I783 HydrophobicContact CG2-CD1 4.42Å; I710-I783 HydrophobicContact CG2-CG1 3.82Å
711	V	93.6	Very high	86.3	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.7	176.3	177	0	0	0	0	109.6	H713 L726 T727 G729 D730 L732 N779 V780	V711-H713 VanDerWaalsContact CG1-O 3.28Å; V711-H713 WeakPolarHBondContact CG1-O 3.29Å; V711-L726 HydrophobicContact CG1-CB 3.96Å; V711-L726 HydrophobicContact CG2-CB 4.02Å; V711-L726 HydrophobicContact CG2-CD1 4.18Å; V711-L726 HydrophobicContact CG2-CD2 4.1Å; V711-L726 HydrophobicContact CG2-CG 4.33Å; V711-T727 WeakPolarHBondContact CB-O 3.38Å; V711-T727 WeakPolarHBondContact CG1-O 3.3Å; V711-G729 PolarHBondContact O-N 3.45Å; V711-D730 HydrophobicContact CB-CB 4.16Å; V711-D730 HydrophobicContact CG2-CB 3.82Å; V711-D730 WeakPolarHBondContact CG2-O 3.42Å; V711-D730 PolarHBondContact N-O 3.19Å; V711-L732 HydrophobicContact CG2-CD1 4.07Å; V711-L732 HydrophobicContact CG2-CG 4.24Å; V711-N779 WeakPolarHBondContact CA-O 3.41Å; V711-V780 HydrophobicContact CG2-CG1 4.02Å
712	E	92.5	Very high	87.1	Confident	55 Å²	55	64 Å²	64	26%	0.257	35%	0.354	S	S	.	.			trans	-99.4	-21.1	177.1	-57	-165.3	120	0	0	112.1	H699 N779 R781	H699-E712 IonicContact CE1-OE2 3.61Å; H699-E712 PolarHBondContact CE1-OE2 2.9Å; H699-E712 IonicContact ND1-OE2 3.76Å; E712-N779 PolarHBondContact N-O 3.02Å; E712-R781 HydrophobicContact CG-CG 4.01Å; E712-R781 WeakPolarHBondContact OE1-CD 3.29Å; E712-R781 IonicContact OE1-CZ 3.82Å; E712-R781 IonicContact OE1-NE 3.8Å; E712-R781 PolarHBondContact OE1-NE 3.42Å
713	H	89.3	Confident	87.7	Confident	105 Å²	105	61.3 Å²	61.3	49%	0.486	34%	0.339	S	S	.	.	S	Bend	trans	-137.5	132.7	-179.7	-62.9	-30.5	0	0	0	111.9	V711 N779	V711-H713 VanDerWaalsContact CG1-O 3.28Å; V711-H713 WeakPolarHBondContact CG1-O 3.29Å; H713-N779 HydrophobicContact CB-CB 4.27Å; H713-N779 PolarHBondContact N-O 2.93Å; H713-N779 WeakPolarHBondContact O-CB 3.26Å; H713-N779 PolarHBondContact O-ND2 2.89Å
714	E	92.7	Very high	87.9	Confident	137 Å²	137	61.3 Å²	61.3	64%	0.64	34%	0.339	S	S	*	.			trans	-58.8	149.6	-178.5	-55.9	-166	136.2	0	0	113.5	L726 V728 N779	E714-L726 CarbonylContact C-O 3.51Å; E714-L726 VanDerWaalsContact CA-O 3.3Å; E714-L726 WeakPolarHBondContact CA-O 3.47Å; E714-V728 HydrophobicContact CG-CG2 3.76Å; E714-N779 PolarHBondContact O-ND2 3.13Å
715	Q	87.4	Confident	88.1	Confident	3 Å²	3	64.4 Å²	64.4	1%	0.014	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-136.7	114.2	173	-179.3	175.1	-84	0	0	109.2	G717 L724 H725 L726 W762 L774 K776	Q715-G717 PolarHBondContact O-N 2.9Å; Q715-G717 VanDerWaalsContact O-N 3.1Å; Q715-L724 PolarHBondContact NE2-O 2.78Å; Q715-H725 CarbonylContact O-C 3.42Å; Q715-H725 WeakPolarHBondContact O-CA 3Å; Q715-L726 HydrophobicContact CB-CB 3.93Å; Q715-L726 HydrophobicContact CB-CD1 3.96Å; Q715-L726 HydrophobicContact CB-CG 4.09Å; Q715-L726 PolarHBondContact N-O 2.95Å; Q715-L726 PolarHBondContact O-N 3.48Å; Q715-W762 VanDerWaalsContact OE1-CZ3 3.32Å; Q715-L774 PolarHBondContact NE2-O 2.87Å; Q715-K776 VanDerWaalsContact OE1-CG 3.25Å; Q715-K776 VanDerWaalsContact OE1-N 3.16Å
716	L	88.5	Confident	88.3	Confident	145 Å²	145	61.6 Å²	61.6	76%	0.759	33%	0.328	S	S	*	.			trans	-62.3	113.3	161.7	-64	179.8	0	0	0	108.5
717	G	83.8	Confident	88.4	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	32%	0.317	S	S	.	.			trans	-70.9	165.6	177.4	0	0	0	0	0	113.1	Q715 E723 L724	Q715-G717 PolarHBondContact O-N 2.9Å; Q715-G717 VanDerWaalsContact O-N 3.1Å; G717-E723 CarbonylContact C-O 3.57Å; G717-E723 VanDerWaalsContact CA-O 3.31Å; G717-E723 WeakPolarHBondContact CA-O 3.19Å; G717-L724 VanDerWaalsContact CA-C 3.46Å; G717-L724 VanDerWaalsContact CA-O 3.25Å; G717-L724 WeakPolarHBondContact CA-O 3.3Å
718	N	82.3	Confident	88.5	Confident	62 Å²	62	60.7 Å²	60.7	33%	0.332	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-148.4	105.4	-178.9	177.2	6.1	0	0	0	110	S720 T721 G722 E723	N718-S720 PolarHBondContact ND2-OG 2.96Å; N718-S720 PolarHBondContact O-N 2.69Å; N718-S720 VanDerWaalsContact O-N 3.13Å; N718-S720 WeakPolarHBondContact OD1-CB 3.45Å; N718-S720 PolarHBondContact OD1-N 2.86Å; N718-S720 PolarHBondContact OD1-OG 2.83Å; N718-T721 WeakPolarHBondContact CB-OG1 3.31Å; N718-T721 VanDerWaalsContact CG-OG1 3.27Å; N718-T721 PolarHBondContact ND2-OG1 2.91Å; N718-T721 VanDerWaalsContact ND2-OG1 3.09Å; N718-T721 PolarHBondContact O-N 2.63Å; N718-T721 PolarHBondContact O-OG1 2.86Å; N718-G722 PolarHBondContact O-N 3.03Å; N718-E723 HydrophobicContact CB-CB 4.17Å; N718-E723 PolarHBondContact N-O 3.47Å; N718-E723 PolarHBondContact O-N 2.93Å; N718-E723 VanDerWaalsContact O-N 3.08Å
719	E	78.5	Confident	88.3	Confident	192 Å²	192	60.3 Å²	60.3	90%	0.897	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	179.5	-62.5	-176.1	-173.3	0	0	113.3
720	S	75.7	Confident	88.1	Confident	103 Å²	103	62 Å²	62	72%	0.72	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.5	-176.5	71.2	0	0	0	0	113.7	N718	N718-S720 PolarHBondContact ND2-OG 2.96Å; N718-S720 PolarHBondContact O-N 2.69Å; N718-S720 VanDerWaalsContact O-N 3.13Å; N718-S720 WeakPolarHBondContact OD1-CB 3.45Å; N718-S720 PolarHBondContact OD1-N 2.86Å; N718-S720 PolarHBondContact OD1-OG 2.83Å
721	T	82.2	Confident	88.1	Confident	70 Å²	70	61.1 Å²	61.1	43%	0.429	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-9	175.8	48.4	0	0	0	0	112.9	N718 E723	N718-T721 WeakPolarHBondContact CB-OG1 3.31Å; N718-T721 VanDerWaalsContact CG-OG1 3.27Å; N718-T721 PolarHBondContact ND2-OG1 2.91Å; N718-T721 VanDerWaalsContact ND2-OG1 3.09Å; N718-T721 PolarHBondContact O-N 2.63Å; N718-T721 PolarHBondContact O-OG1 2.86Å; T721-E723 VanDerWaalsContact CB-OE1 3.3Å; T721-E723 WeakPolarHBondContact CB-OE1 3.25Å; T721-E723 VanDerWaalsContact OG1-CG 3.29Å; T721-E723 WeakPolarHBondContact OG1-CG 3.37Å; T721-E723 PolarHBondContact OG1-OE1 2.73Å
722	G	85	Confident	88.1	Confident	27 Å²	27	61.1 Å²	61.1	28%	0.278	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	20.2	-175.6	0	0	0	0	0	113.6	N718 G773 L774	N718-G722 PolarHBondContact O-N 3.03Å; G722-G773 CarbonylContact O-C 3.6Å; G722-G773 VanDerWaalsContact O-CA 3.27Å; G722-G773 WeakPolarHBondContact O-CA 3.41Å; G722-L774 PolarHBondContact O-N 3.3Å
723	E	90.4	Very high	88.1	Confident	42 Å²	42	60 Å²	60	20%	0.196	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-76.9	126.8	176.7	-66.4	167.7	-129.6	0	0	110.3	G717 N718 T721 W762	G717-E723 CarbonylContact C-O 3.57Å; G717-E723 VanDerWaalsContact CA-O 3.31Å; G717-E723 WeakPolarHBondContact CA-O 3.19Å; N718-E723 HydrophobicContact CB-CB 4.17Å; N718-E723 PolarHBondContact N-O 3.47Å; N718-E723 PolarHBondContact O-N 2.93Å; N718-E723 VanDerWaalsContact O-N 3.08Å; T721-E723 VanDerWaalsContact CB-OE1 3.3Å; T721-E723 WeakPolarHBondContact CB-OE1 3.25Å; T721-E723 VanDerWaalsContact OG1-CG 3.29Å; T721-E723 WeakPolarHBondContact OG1-CG 3.37Å; T721-E723 PolarHBondContact OG1-OE1 2.73Å; E723-W762 HydrophobicContact CB-CZ3 4.31Å; E723-W762 HydrophobicContact CG-CE3 4.37Å; E723-W762 HydrophobicContact CG-CH2 3.58Å; E723-W762 HydrophobicContact CG-CZ2 4.35Å; E723-W762 HydrophobicContact CG-CZ3 3.58Å; E723-W762 WeakPolarHBondContact OE2-CH2 3.47Å
724	L	89.1	Confident	88.3	Confident	10 Å²	10	55 Å²	55	5%	0.052	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.6	143.6	175.5	-68.4	175.5	0	0	0	110.5	Q715 G717 L726 L732 C765 V771 L774	Q715-L724 PolarHBondContact NE2-O 2.78Å; G717-L724 VanDerWaalsContact CA-C 3.46Å; G717-L724 VanDerWaalsContact CA-O 3.25Å; G717-L724 WeakPolarHBondContact CA-O 3.3Å; L724-L726 HydrophobicContact CB-CD2 3.65Å; L724-L726 HydrophobicContact CB-CG 4.02Å; L724-L726 HydrophobicContact CD1-CD2 4.15Å; L724-L732 HydrophobicContact CD1-CD2 4.25Å; L724-C765 HydrophobicContact CD1-CB 4.44Å; L724-V771 HydrophobicContact CD2-CB 4.49Å; L724-V771 HydrophobicContact CD2-CG1 3.95Å; L724-L774 PolarHBondContact N-O 3.17Å
725	H	90.9	Very high	88.2	Confident	110 Å²	110	50 Å²	50	51%	0.509	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-77.3	128.9	160	-166.2	106.2	0	0	0	107.6	Q715	Q715-H725 CarbonylContact O-C 3.42Å; Q715-H725 WeakPolarHBondContact O-CA 3Å
726	L	91.3	Very high	88.2	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-134.5	131.1	-174.2	-53.4	173.3	0	0	0	109.8	V711 E714 Q715 L724 L732 A775	V711-L726 HydrophobicContact CG1-CB 3.96Å; V711-L726 HydrophobicContact CG2-CB 4.02Å; V711-L726 HydrophobicContact CG2-CD1 4.18Å; V711-L726 HydrophobicContact CG2-CD2 4.1Å; V711-L726 HydrophobicContact CG2-CG 4.33Å; E714-L726 CarbonylContact C-O 3.51Å; E714-L726 VanDerWaalsContact CA-O 3.3Å; E714-L726 WeakPolarHBondContact CA-O 3.47Å; Q715-L726 HydrophobicContact CB-CB 3.93Å; Q715-L726 HydrophobicContact CB-CD1 3.96Å; Q715-L726 HydrophobicContact CB-CG 4.09Å; Q715-L726 PolarHBondContact N-O 2.95Å; Q715-L726 PolarHBondContact O-N 3.48Å; L724-L726 HydrophobicContact CB-CD2 3.65Å; L724-L726 HydrophobicContact CB-CG 4.02Å; L724-L726 HydrophobicContact CD1-CD2 4.15Å; L726-L732 HydrophobicContact CD1-CD1 4.39Å; L726-L732 HydrophobicContact CD2-CD1 3.85Å; L726-L732 HydrophobicContact CD2-CD2 3.86Å; L726-L732 HydrophobicContact CD2-CG 4.37Å; L726-A775 HydrophobicContact CD1-CB 3.73Å
727	T	91.3	Very high	87.7	Confident	48 Å²	48	50.1 Å²	50.1	29%	0.294	30%	0.3	S	S	.	.			trans	-109.3	157.4	173	66.1	0	0	0	0	110.1	V711 G729 D730	V711-T727 WeakPolarHBondContact CB-O 3.38Å; V711-T727 WeakPolarHBondContact CG1-O 3.3Å; T727-G729 PolarHBondContact O-N 3.42Å; T727-D730 WeakPolarHBondContact CA-OD2 3.28Å; T727-D730 WeakPolarHBondContact CB-OD2 3.45Å; T727-D730 PolarHBondContact N-OD2 3.27Å; T727-D730 WeakPolarHBondContact O-CB 3.48Å; T727-D730 PolarHBondContact O-N 3.2Å; T727-D730 VanDerWaalsContact O-N 3.14Å; T727-D730 VanDerWaalsContact OG1-CG 3.31Å; T727-D730 PolarHBondContact OG1-OD2 2.76Å
728	V	91.9	Very high	87.2	Confident	68 Å²	68	53 Å²	53	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	130.1	179.7	-176.4	0	0	0	0	110	E714	E714-V728 HydrophobicContact CG-CG2 3.76Å
729	G	89.7	Confident	86.4	Confident	35 Å²	35	50.9 Å²	50.9	36%	0.361	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-7.8	-174.7	0	0	0	0	0	115	V711 T727 I731	V711-G729 PolarHBondContact O-N 3.45Å; T727-G729 PolarHBondContact O-N 3.42Å; G729-I731 WeakPolarHBondContact O-CD1 3.4Å
730	D	91.1	Very high	85.4	Confident	36 Å²	36	47 Å²	47	19%	0.193	28%	0.28	C	S	.	.			trans	-59.2	139.4	170.6	-88.5	-44.7	0	0	0	110.9	I710 V711 T727	I710-D730 WeakPolarHBondContact CA-O 3.26Å; V711-D730 HydrophobicContact CB-CB 4.16Å; V711-D730 HydrophobicContact CG2-CB 3.82Å; V711-D730 WeakPolarHBondContact CG2-O 3.42Å; V711-D730 PolarHBondContact N-O 3.19Å; T727-D730 WeakPolarHBondContact CA-OD2 3.28Å; T727-D730 WeakPolarHBondContact CB-OD2 3.45Å; T727-D730 PolarHBondContact N-OD2 3.27Å; T727-D730 WeakPolarHBondContact O-CB 3.48Å; T727-D730 PolarHBondContact O-N 3.2Å; T727-D730 VanDerWaalsContact O-N 3.14Å; T727-D730 VanDerWaalsContact OG1-CG 3.31Å; T727-D730 PolarHBondContact OG1-OD2 2.76Å
731	I	92.2	Very high	84.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.3	-178.6	-49.9	-62.2	0	0	0	109.7	W708 L709 I710 G729 W768 I783 C792	W708-I731 HydrophobicContact CE3-CG2 4.03Å; L709-I731 WeakPolarHBondContact O-CA 3.22Å; I710-I731 HydrophobicContact CB-CD1 3.82Å; I710-I731 HydrophobicContact CD1-CD1 3.83Å; I710-I731 HydrophobicContact CG1-CD1 3.71Å; G729-I731 WeakPolarHBondContact O-CD1 3.4Å; I731-W768 HydrophobicContact CB-CD2 4.39Å; I731-W768 HydrophobicContact CB-CZ2 3.88Å; I731-W768 HydrophobicContact CG1-CH2 4.07Å; I731-W768 HydrophobicContact CG1-CZ2 3.4Å; I731-I783 HydrophobicContact CD1-CD1 3.88Å; I731-I783 HydrophobicContact CG2-CD1 4.07Å; I731-C792 HydrophobicContact CD1-CB 3.99Å; I731-C792 HydrophobicContact CG1-CB 4.04Å
732	L	93.8	Very high	82.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.1	-178.4	-51	178.3	0	0	0	111.1	W708 L709 V711 L724 L726 C765 E766 N767 A775 V780	W708-L732 WeakPolarHBondContact CA-O 3.27Å; L709-L732 HydrophobicContact CB-CB 4.32Å; L709-L732 PolarHBondContact N-O 2.89Å; L709-L732 PolarHBondContact O-N 3.31Å; V711-L732 HydrophobicContact CG2-CD1 4.07Å; V711-L732 HydrophobicContact CG2-CG 4.24Å; L724-L732 HydrophobicContact CD1-CD2 4.25Å; L726-L732 HydrophobicContact CD1-CD1 4.39Å; L726-L732 HydrophobicContact CD2-CD1 3.85Å; L726-L732 HydrophobicContact CD2-CD2 3.86Å; L726-L732 HydrophobicContact CD2-CG 4.37Å; L732-C765 HydrophobicContact CB-CB 4.08Å; L732-C765 HydrophobicContact CD1-CB 3.98Å; L732-E766 CarbonylContact C-O 3.56Å; L732-E766 VanDerWaalsContact CA-O 3.24Å; L732-E766 WeakPolarHBondContact CA-O 3.28Å; L732-N767 HydrophobicContact CD2-CB 3.69Å; L732-A775 HydrophobicContact CD1-CB 3.98Å; L732-V780 HydrophobicContact CD1-CG1 4.14Å
733	K	92.9	Very high	80.1	Confident	31 Å²	31	49.6 Å²	49.6	14%	0.135	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	168.4	-168.3	178.2	-175.6	-178.9	0	108	W708 I735 C765 E766 E835	W708-K733 HydrophobicContact CE3-CB 4.08Å; W708-K733 HydrophobicContact CE3-CG 4.5Å; W708-K733 HydrophobicContact CH2-CB 4.3Å; W708-K733 HydrophobicContact CH2-CD 4.05Å; W708-K733 HydrophobicContact CH2-CG 4.32Å; W708-K733 HydrophobicContact CZ2-CD 4.29Å; W708-K733 HydrophobicContact CZ2-CG 4.49Å; W708-K733 HydrophobicContact CZ3-CB 3.86Å; W708-K733 HydrophobicContact CZ3-CD 4.45Å; W708-K733 HydrophobicContact CZ3-CG 4.32Å; K733-I735 HydrophobicContact CG-CG2 4.46Å; K733-I735 PolarHBondContact O-N 2.94Å; K733-C765 CarbonylContact O-C 3.59Å; K733-C765 WeakPolarHBondContact O-CA 3.41Å; K733-E766 HydrophobicContact CB-CB 4.48Å; K733-E766 PolarHBondContact N-O 3.32Å; K733-E766 PolarHBondContact O-N 3.14Å; K733-E835 IonicContact NZ-OE1 2.7Å; K733-E835 PolarHBondContact NZ-OE1 3.43Å; K733-E835 IonicContact NZ-OE2 2.74Å
734	C	93.3	Very high	77.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.9	173.1	176.4	0	0	0	0	109.6	I703 A704 N706 D707 L709	I703-C734 HydrophobicContact CG2-CB 4Å; A704-C734 WeakPolarHBondContact O-CB 3.38Å; A704-C734 PolarHBondContact O-SG 3.12Å; N706-C734 VanDerWaalsContact CA-O 3.24Å; N706-C734 WeakPolarHBondContact CA-O 3.19Å; N706-C734 PolarHBondContact N-O 3.3Å; D707-C734 HydrophobicContact CB-CB 4.36Å; D707-C734 WeakPolarHBondContact O-CB 3.46Å; D707-C734 PolarHBondContact O-N 3.49Å; L709-C734 HydrophobicContact CD1-CB 4.38Å
735	I	91.4	Very high	75.2	Confident	33 Å²	33	63.4 Å²	63.4	17%	0.169	35%	0.35	C	S	.	.			trans	-126.9	17.8	176.6	62.9	160.9	0	0	0	112	K733 K764 E766 I772	K733-I735 HydrophobicContact CG-CG2 4.46Å; K733-I735 PolarHBondContact O-N 2.94Å; I735-K764 CarbonylContact C-O 3.51Å; I735-K764 HydrophobicContact CD1-CD 4.24Å; I735-K764 HydrophobicContact CD1-CG 4.36Å; I735-K764 HydrophobicContact CG1-CD 4.2Å; I735-K764 HydrophobicContact CG1-CG 4.11Å; I735-K764 PolarHBondContact N-O 3.31Å; I735-E766 HydrophobicContact CD1-CB 4.26Å; I735-E766 HydrophobicContact CG2-CB 4.31Å; I735-I772 HydrophobicContact CD1-CB 4.3Å; I735-I772 HydrophobicContact CD1-CD1 3.64Å; I735-I772 HydrophobicContact CD1-CG1 3.65Å; I735-I772 HydrophobicContact CD1-CG2 3.78Å
736	D	87.5	Confident	72.6	Confident	34 Å²	34	63 Å²	63	18%	0.182	36%	0.36	C	S	.	.			trans	-71.1	137.7	173.7	-153.2	-54.3	0	0	0	110	T705 N738 P739 I763 K764	T705-D736 WeakPolarHBondContact CB-O 3.3Å; T705-D736 WeakPolarHBondContact CG2-O 3.33Å; T705-D736 PolarHBondContact OG1-O 3.31Å; D736-N738 PolarHBondContact OD1-N 3.37Å; D736-P739 HydrophobicContact CB-CB 4.3Å; D736-I763 HydrophobicContact CB-CG1 3.9Å; D736-K764 HydrophobicContact CB-CB 4.08Å; D736-K764 PolarHBondContact N-O 2.91Å; D736-K764 VanDerWaalsContact N-O 3.09Å; D736-K764 PolarHBondContact OD2-N 2.92Å
737	S	77.3	Confident	69.8	Low	116 Å²	116	70.5 Å²	70.5	81%	0.811	40%	0.4	S	S	*	.	S	Bend	trans	-88	-8.8	-178.7	-47	0	0	0	0	113
738	N	73.2	Confident	67.5	Low	90 Å²	90	74.5 Å²	74.5	48%	0.481	43%	0.425	S	S	.	.	S	Bend	trans	-145.7	66.4	173.3	-172.4	-12.1	0	0	0	110.1	D736 Q740 R760	D736-N738 PolarHBondContact OD1-N 3.37Å; N738-Q740 PolarHBondContact O-N 3.34Å; N738-Q740 WeakPolarHBondContact OD1-CG 3.41Å; N738-R760 VanDerWaalsContact CG-NH1 3.25Å; N738-R760 PolarHBondContact O-NH1 2.73Å; N738-R760 PolarHBondContact OD1-NH1 3.47Å; N738-R760 VanDerWaalsContact OD1-NH1 3.1Å
739	P	66.3	Low	64.9	Low	18 Å²	18	79.9 Å²	79.9	12%	0.117	45%	0.445	C	S	.	.			trans	-74.3	116.8	174.1	33	-32.2	0	0	0	108.8	I703 D736 I763	I703-P739 HydrophobicContact CG2-CB 4.46Å; I703-P739 VanDerWaalsContact O-CB 3.31Å; I703-P739 WeakPolarHBondContact O-CB 3.47Å; I703-P739 WeakPolarHBondContact O-CG 3.49Å; D736-P739 HydrophobicContact CB-CB 4.3Å; P739-I763 HydrophobicContact CB-CD1 4.12Å
740	Q	56.7	Low	62.5	Low	109 Å²	109	87 Å²	87	51%	0.509	47%	0.468	S	S	.	.			trans	-143.3	109.1	178.2	-68.8	-76	-85.1	0	0	105.8	N738	N738-Q740 PolarHBondContact O-N 3.34Å; N738-Q740 WeakPolarHBondContact OD1-CG 3.41Å
741	V	54.2	Low	59.5	Low	37 Å²	37	93.6 Å²	93.6	22%	0.224	50%	0.498	C	S	.	.			trans	-83.5	134.3	174.6	-176.8	0	0	0	0	107.7	L702 I703 I777	L702-V741 HydrophobicContact CD2-CB 4.06Å; I703-V741 HydrophobicContact CD1-CG2 4.28Å; I703-V741 HydrophobicContact CG1-CG2 4.26Å; V741-I777 HydrophobicContact CG1-CG2 4.07Å; V741-I777 HydrophobicContact CG2-CG2 4.02Å
742	C	40.4	Very low	56.7	Low	81 Å²	81	103.9 Å²	103.9	55%	0.547	54%	0.538	S	S	.	.			trans	-75.9	125.4	178.2	-60.5	0	0	0	0	110.6	T744	C742-T744 PolarHBondContact O-N 3.12Å; C742-T744 VanDerWaalsContact O-N 3.13Å
743	D	37.9	Very low	53.6	Low	137 Å²	137	109.4 Å²	109.4	73%	0.733	58%	0.577	S	S	*	*			trans	-61.2	111.1	175.6	-67.5	-62.7	0	0	0	112.3	R745	D743-R745 PolarHBondContact O-N 3.26Å
744	T	39.9	Very low	50.9	Low	148 Å²	148	116.3 Å²	116.3	91%	0.908	61%	0.614	S	S	*	*	S	Bend	trans	-79.7	56.5	163.8	49.8	0	0	0	0	110.6	C742	C742-T744 PolarHBondContact O-N 3.12Å; C742-T744 VanDerWaalsContact O-N 3.13Å
745	R	36.3	Very low	47.9	Very low	194 Å²	194	121.4 Å²	121.4	73%	0.732	65%	0.65	S	S	*	*			trans	-153.9	48.5	178.3	-142.2	170.7	-168.5	147.7	4.2	113.8	E696 D743	E696-R745 IonicContact OE1-CZ 2.66Å; E696-R745 IonicContact OE1-NH1 2.7Å; E696-R745 PolarHBondContact OE1-NH1 3.37Å; E696-R745 IonicContact OE1-NH2 2.64Å; E696-R745 PolarHBondContact OE1-NH2 3.47Å; D743-R745 PolarHBondContact O-N 3.26Å
746	S	35.2	Very low	45	Very low	102 Å²	102	124.4 Å²	124.4	71%	0.713	67%	0.673	S	S	*	*			trans	-111.9	40.9	174.7	75	0	0	0	0	113.3	T748	S746-T748 PolarHBondContact O-N 3.04Å
747	D	33.8	Very low	42.7	Very low	160 Å²	160	128 Å²	128	86%	0.856	70%	0.701	S	S	*	*			trans	-76.2	66.1	171.5	-79.7	-46.7	0	0	0	111.1
748	T	43.2	Very low	41	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	70%	0.702	S	S	*	*	S	Bend	trans	-164.3	147.2	156.9	-0.1	0	0	0	0	110.4	S746 H750	S746-T748 PolarHBondContact O-N 3.04Å; T748-H750 PolarHBondContact O-N 3.4Å
749	H	36.4	Very low	39.9	Very low	181 Å²	181	127.9 Å²	127.9	84%	0.838	71%	0.707	S	S	*	*			trans	-52.8	118.8	179.6	-84.1	-116.9	0	0	0	112.7
750	H	38.4	Very low	39.6	Very low	183 Å²	183	132.5 Å²	132.5	85%	0.847	72%	0.723	S	S	*	*				-150.4	139.4	129.9	-101	-62.9	0	0	0	112.4	T748	T748-H750 PolarHBondContact O-N 3.4Å
751	Q	29.1	Very low	40.8	Very low	176 Å²	176	133 Å²	133	82%	0.822	72%	0.723	S	S	*	*			trans	-103.3	91.7	-163	-178.9	-177	5.4	0	0	110.7
752	Y	33.9	Very low	42.3	Very low	218 Å²	218	135.2 Å²	135.2	86%	0.855	73%	0.727	S	S	*	*			trans	-132.1	128.9	171.4	-80.7	-72.9	0	0	0	112.8
753	S	28.9	Very low	44.8	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	70%	0.702	S	S	*	*			trans	-90.7	107.6	-167.1	-52.3	0	0	0	0	112.4
754	L	36.5	Very low	47.4	Very low	177 Å²	177	129.1 Å²	129.1	93%	0.927	69%	0.686	S	S	*	*			trans	-130	146.7	163.8	-77.6	174.8	0	0	0	111.3
755	S	28.4	Very low	49.9	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	64%	0.642	S	S	*	*			trans	-81.1	138.3	-166.2	50.6	0	0	0	0	114.4
756	S	30.8	Very low	52.6	Low	96 Å²	96	113.3 Å²	113.3	67%	0.671	61%	0.609	S	S	*	*			trans	50.9	89.9	159.6	57.8	0	0	0	0	116.9	S759	S756-S759 PolarHBondContact O-OG 3.35Å
757	S	39.7	Very low	55.3	Low	109 Å²	109	110 Å²	110	76%	0.762	58%	0.584	S	S	*	*			trans	-108.5	29.6	178.7	-146.8	0	0	0	0	115	S759	S757-S759 PolarHBondContact O-N 3.28Å
758	S	42.6	Very low	57.9	Low	120 Å²	120	104.4 Å²	104.4	84%	0.839	55%	0.551	S	S	*	*			trans	-80.5	12.6	169.4	-53.2	0	0	0	0	113
759	S	48.4	Very low	60.1	Low	84 Å²	84	101.9 Å²	101.9	59%	0.587	53%	0.529	S	S	*	.			trans	-103.3	-11.5	-141	-48.2	0	0	0	0	115.1	S756 S757	S756-S759 PolarHBondContact O-OG 3.35Å; S757-S759 PolarHBondContact O-N 3.28Å
760	R	60.5	Low	62.5	Low	115 Å²	115	94.4 Å²	94.4	43%	0.434	50%	0.5	S	S	.	.			trans	-139.1	65.2	174.1	-79.2	-168.8	-76.4	-179.1	-2.1	111.6	N738 I777	N738-R760 VanDerWaalsContact CG-NH1 3.25Å; N738-R760 PolarHBondContact O-NH1 2.73Å; N738-R760 PolarHBondContact OD1-NH1 3.47Å; N738-R760 VanDerWaalsContact OD1-NH1 3.1Å; R760-I777 WeakPolarHBondContact O-CD1 3.31Å
761	K	81.1	Confident	64.9	Low	121 Å²	121	89.3 Å²	89.3	53%	0.526	48%	0.482	S	S	.	.	S	Bend	trans	-77.8	-13.2	162.1	-178.8	161.3	-178.5	167.1	0	112.3	K776 I777 S778	K761-K776 WeakPolarHBondContact O-CA 3.27Å; K761-I777 PolarHBondContact O-N 3.39Å; K761-S778 WeakPolarHBondContact CE-OG 3.45Å
762	W	87.6	Confident	67.9	Low	82 Å²	82	85.1 Å²	85.1	31%	0.311	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.8	-174.1	-55.4	94.2	0	0	0	110.9	Q715 E723 L774 A775 K776	Q715-W762 VanDerWaalsContact OE1-CZ3 3.32Å; E723-W762 HydrophobicContact CB-CZ3 4.31Å; E723-W762 HydrophobicContact CG-CE3 4.37Å; E723-W762 HydrophobicContact CG-CH2 3.58Å; E723-W762 HydrophobicContact CG-CZ2 4.35Å; E723-W762 HydrophobicContact CG-CZ3 3.58Å; E723-W762 WeakPolarHBondContact OE2-CH2 3.47Å; W762-L774 HydrophobicContact CB-CB 4.43Å; W762-L774 HydrophobicContact CB-CD2 4.47Å; W762-L774 HydrophobicContact CD2-CB 4.46Å; W762-L774 HydrophobicContact CE3-CB 3.88Å; W762-A775 CarbonylContact C-O 3.41Å; W762-A775 VanDerWaalsContact CA-O 3.29Å; W762-A775 WeakPolarHBondContact CA-O 3.43Å; W762-K776 HydrophobicContact CD2-CG 4.34Å; W762-K776 HydrophobicContact CE3-CG 3.88Å; W762-K776 HydrophobicContact CH2-CD 4.14Å; W762-K776 HydrophobicContact CH2-CG 3.78Å; W762-K776 HydrophobicContact CZ2-CG 4.24Å; W762-K776 HydrophobicContact CZ3-CD 4.27Å; W762-K776 HydrophobicContact CZ3-CG 3.59Å
763	I	91.1	Very high	70.6	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.4	172	-175	167.6	0	0	0	109.3	I703 D736 P739 A775 I777	I703-I763 HydrophobicContact CB-CD1 3.99Å; I703-I763 HydrophobicContact CD1-CD1 3.7Å; I703-I763 HydrophobicContact CG1-CD1 4.44Å; I703-I763 HydrophobicContact CG2-CD1 3.51Å; D736-I763 HydrophobicContact CB-CG1 3.9Å; P739-I763 HydrophobicContact CB-CD1 4.12Å; I763-A775 HydrophobicContact CG2-CB 4.29Å; I763-A775 PolarHBondContact N-O 3.29Å; I763-A775 PolarHBondContact O-N 3.09Å; I763-I777 HydrophobicContact CB-CD1 4.39Å; I763-I777 HydrophobicContact CB-CG1 3.83Å; I763-I777 HydrophobicContact CG2-CG1 3.84Å
764	K	92.9	Very high	73.6	Confident	87 Å²	87	72.3 Å²	72.3	38%	0.378	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.5	177.4	-167.8	-165.9	175.3	-162.2	0	111.1	I735 D736 I772 L774	I735-K764 CarbonylContact C-O 3.51Å; I735-K764 HydrophobicContact CD1-CD 4.24Å; I735-K764 HydrophobicContact CD1-CG 4.36Å; I735-K764 HydrophobicContact CG1-CD 4.2Å; I735-K764 HydrophobicContact CG1-CG 4.11Å; I735-K764 PolarHBondContact N-O 3.31Å; D736-K764 HydrophobicContact CB-CB 4.08Å; D736-K764 PolarHBondContact N-O 2.91Å; D736-K764 VanDerWaalsContact N-O 3.09Å; D736-K764 PolarHBondContact OD2-N 2.92Å; K764-I772 VanDerWaalsContact CE-CG2 3.47Å; K764-I772 HydrophobicContact CG-CG2 4.49Å; K764-L774 HydrophobicContact CB-CD2 4.36Å
765	C	93.5	Very high	76.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.5	-175.6	-67.2	0	0	0	0	112.1	L724 L732 K733 I772 G773	L724-C765 HydrophobicContact CD1-CB 4.44Å; L732-C765 HydrophobicContact CB-CB 4.08Å; L732-C765 HydrophobicContact CD1-CB 3.98Å; K733-C765 CarbonylContact O-C 3.59Å; K733-C765 WeakPolarHBondContact O-CA 3.41Å; C765-I772 WeakPolarHBondContact O-CA 3.38Å; C765-G773 PolarHBondContact N-O 3.17Å; C765-G773 PolarHBondContact O-N 3.47Å
766	E	93.6	Very high	79.2	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.4	174.6	180	173	-128.1	0	0	109.4	L732 K733 I735 V771 I772 R842	L732-E766 CarbonylContact C-O 3.56Å; L732-E766 VanDerWaalsContact CA-O 3.24Å; L732-E766 WeakPolarHBondContact CA-O 3.28Å; K733-E766 HydrophobicContact CB-CB 4.48Å; K733-E766 PolarHBondContact N-O 3.32Å; K733-E766 PolarHBondContact O-N 3.14Å; I735-E766 HydrophobicContact CD1-CB 4.26Å; I735-E766 HydrophobicContact CG2-CB 4.31Å; E766-V771 WeakPolarHBondContact CA-O 3.21Å; E766-I772 HydrophobicContact CB-CG1 4.05Å; E766-I772 HydrophobicContact CG-CG1 4Å; E766-R842 IonicContact OE1-CZ 3.17Å; E766-R842 VanDerWaalsContact OE1-CZ 3.26Å; E766-R842 IonicContact OE1-NH1 3.33Å; E766-R842 PolarHBondContact OE1-NH1 3.39Å; E766-R842 IonicContact OE1-NH2 3.4Å; E766-R842 PolarHBondContact OE1-NH2 3.16Å; E766-R842 IonicContact OE2-CZ 3.85Å; E766-R842 IonicContact OE2-NH1 3.71Å; E766-R842 IonicContact OE2-NH2 2.72Å; E766-R842 PolarHBondContact OE2-NH2 3.42Å
767	N	91.5	Very high	82	Confident	34 Å²	34	58.1 Å²	58.1	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	175.4	177.3	76.4	1	0	0	0	112.8	L732 F769 G770 V771	L732-N767 HydrophobicContact CD2-CB 3.69Å; N767-F769 PolarHBondContact O-N 3.42Å; N767-F769 VanDerWaalsContact O-N 3.07Å; N767-F769 WeakPolarHBondContact OD1-CA 3.34Å; N767-F769 PolarHBondContact OD1-N 2.76Å; N767-G770 PolarHBondContact O-N 2.87Å; N767-G770 PolarHBondContact OD1-N 3.39Å; N767-V771 PolarHBondContact N-O 2.71Å; N767-V771 WeakPolarHBondContact OD1-CB 3Å; N767-V771 PolarHBondContact OD1-N 3.17Å
768	W	88.8	Confident	84.3	Confident	41 Å²	41	55.4 Å²	55.4	16%	0.155	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-32.2	176.5	-84.2	-18.6	0	0	0	114.9	I731 G770 C792 A795 R796 F824	I731-W768 HydrophobicContact CB-CD2 4.39Å; I731-W768 HydrophobicContact CB-CZ2 3.88Å; I731-W768 HydrophobicContact CG1-CH2 4.07Å; I731-W768 HydrophobicContact CG1-CZ2 3.4Å; W768-G770 VanDerWaalsContact C-N 3.33Å; W768-C792 WeakPolarHBondContact CZ2-O 3.43Å; W768-A795 HydrophobicContact CH2-CB 4.28Å; W768-A795 HydrophobicContact CZ2-CB 4.48Å; W768-R796 HydrophobicContact CB-CG 4.24Å; W768-R796 HydrophobicContact CD2-CB 4.35Å; W768-R796 HydrophobicContact CD2-CG 4.1Å; W768-R796 HydrophobicContact CG-CB 4.44Å; W768-R796 HydrophobicContact CG-CG 3.74Å; W768-R796 HydrophobicContact CZ2-CB 4.41Å; W768-R796 PolarHBondContact O-NE 2.79Å; W768-R796 PolarHBondContact O-NH2 2.83Å; W768-F824 WeakPolarHBondContact O-CD1 3.35Å
769	F	88.2	Confident	86.6	Confident	81 Å²	81	50.5 Å²	50.5	36%	0.355	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	7.2	-178.3	-52.1	-77.3	0	0	0	113.5	N767 V771 P797 F824 L856	N767-F769 PolarHBondContact O-N 3.42Å; N767-F769 VanDerWaalsContact O-N 3.07Å; N767-F769 WeakPolarHBondContact OD1-CA 3.34Å; N767-F769 PolarHBondContact OD1-N 2.76Å; F769-V771 VanDerWaalsContact C-N 3.28Å; F769-V771 HydrophobicContact CB-CG2 4.41Å; F769-V771 PolarHBondContact O-N 2.85Å; F769-P797 HydrophobicContact CE1-CG 4.32Å; F769-F824 WeakPolarHBondContact O-CD1 3.37Å; F769-L856 HydrophobicContact CD1-CD2 4.06Å; F769-L856 HydrophobicContact CE1-CD2 4.11Å
770	G	86.8	Confident	88.7	Confident	23 Å²	23	46.7 Å²	46.7	24%	0.237	23%	0.228	C	C	.	.			trans	78.2	10.8	178	0	0	0	0	0	113.9	N767 W768 I772 F824	N767-G770 PolarHBondContact O-N 2.87Å; N767-G770 PolarHBondContact OD1-N 3.39Å; W768-G770 VanDerWaalsContact C-N 3.33Å; G770-I772 PolarHBondContact O-N 3.15Å; G770-F824 VanDerWaalsContact N-CD1 3.34Å
771	V	88.6	Confident	90.2	Very high	76 Å²	76	43.4 Å²	43.4	46%	0.461	22%	0.216	S	C	.	.			trans	-79.7	119.4	176.7	-173.3	0	0	0	0	109	L724 E766 N767 F769	L724-V771 HydrophobicContact CD2-CB 4.49Å; L724-V771 HydrophobicContact CD2-CG1 3.95Å; E766-V771 WeakPolarHBondContact CA-O 3.21Å; N767-V771 PolarHBondContact N-O 2.71Å; N767-V771 WeakPolarHBondContact OD1-CB 3Å; N767-V771 PolarHBondContact OD1-N 3.17Å; F769-V771 VanDerWaalsContact C-N 3.28Å; F769-V771 HydrophobicContact CB-CG2 4.41Å; F769-V771 PolarHBondContact O-N 2.85Å
772	I	91.5	Very high	90.8	Very high	88 Å²	88	38.3 Å²	38.3	45%	0.451	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.8	-179.6	-70.2	173.8	0	0	0	110.4	I735 K764 C765 E766 G770	I735-I772 HydrophobicContact CD1-CB 4.3Å; I735-I772 HydrophobicContact CD1-CD1 3.64Å; I735-I772 HydrophobicContact CD1-CG1 3.65Å; I735-I772 HydrophobicContact CD1-CG2 3.78Å; K764-I772 VanDerWaalsContact CE-CG2 3.47Å; K764-I772 HydrophobicContact CG-CG2 4.49Å; C765-I772 WeakPolarHBondContact O-CA 3.38Å; E766-I772 HydrophobicContact CB-CG1 4.05Å; E766-I772 HydrophobicContact CG-CG1 4Å; G770-I772 PolarHBondContact O-N 3.15Å
773	G	91.8	Very high	91	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-161.5	174.8	0	0	0	0	0	113.7	G722 C765	G722-G773 CarbonylContact O-C 3.6Å; G722-G773 VanDerWaalsContact O-CA 3.27Å; G722-G773 WeakPolarHBondContact O-CA 3.41Å; C765-G773 PolarHBondContact N-O 3.17Å; C765-G773 PolarHBondContact O-N 3.47Å
774	L	92	Very high	90.9	Very high	57 Å²	57	40 Å²	40	30%	0.298	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.5	-176.8	-61	178.1	0	0	0	111.8	Q715 G722 L724 W762 K764	Q715-L774 PolarHBondContact NE2-O 2.87Å; G722-L774 PolarHBondContact O-N 3.3Å; L724-L774 PolarHBondContact N-O 3.17Å; W762-L774 HydrophobicContact CB-CB 4.43Å; W762-L774 HydrophobicContact CB-CD2 4.47Å; W762-L774 HydrophobicContact CD2-CB 4.46Å; W762-L774 HydrophobicContact CE3-CB 3.88Å; K764-L774 HydrophobicContact CB-CD2 4.36Å
775	A	91.5	Very high	90.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.4	168.9	0	0	0	0	0	109.8	L726 L732 W762 I763 V780	L726-A775 HydrophobicContact CD1-CB 3.73Å; L732-A775 HydrophobicContact CD1-CB 3.98Å; W762-A775 CarbonylContact C-O 3.41Å; W762-A775 VanDerWaalsContact CA-O 3.29Å; W762-A775 WeakPolarHBondContact CA-O 3.43Å; I763-A775 HydrophobicContact CG2-CB 4.29Å; I763-A775 PolarHBondContact N-O 3.29Å; I763-A775 PolarHBondContact O-N 3.09Å; A775-V780 HydrophobicContact CB-CG1 4.42Å
776	K	90.5	Very high	90.6	Very high	50 Å²	50	42.7 Å²	42.7	22%	0.217	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132	166.7	-73.3	154.7	-156.4	159.9	0	109.2	Q715 K761 W762 S778 N779	Q715-K776 VanDerWaalsContact OE1-CG 3.25Å; Q715-K776 VanDerWaalsContact OE1-N 3.16Å; K761-K776 WeakPolarHBondContact O-CA 3.27Å; W762-K776 HydrophobicContact CD2-CG 4.34Å; W762-K776 HydrophobicContact CE3-CG 3.88Å; W762-K776 HydrophobicContact CH2-CD 4.14Å; W762-K776 HydrophobicContact CH2-CG 3.78Å; W762-K776 HydrophobicContact CZ2-CG 4.24Å; W762-K776 HydrophobicContact CZ3-CD 4.27Å; W762-K776 HydrophobicContact CZ3-CG 3.59Å; K776-S778 PolarHBondContact O-N 2.8Å; K776-N779 HydrophobicContact CB-CB 4.05Å; K776-N779 VanDerWaalsContact CB-OD1 3.25Å; K776-N779 WeakPolarHBondContact CB-OD1 3.26Å; K776-N779 WeakPolarHBondContact CD-OD1 3.44Å; K776-N779 WeakPolarHBondContact O-CB 3.34Å; K776-N779 PolarHBondContact O-N 3.26Å
777	I	89.1	Confident	90.4	Very high	32 Å²	32	48 Å²	48	16%	0.164	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.7	-33.8	174.7	-62	170.7	0	0	0	110.4	I703 V741 R760 K761 I763 N779 V780	I703-I777 HydrophobicContact CD1-CG2 4.35Å; V741-I777 HydrophobicContact CG1-CG2 4.07Å; V741-I777 HydrophobicContact CG2-CG2 4.02Å; R760-I777 WeakPolarHBondContact O-CD1 3.31Å; K761-I777 PolarHBondContact O-N 3.39Å; I763-I777 HydrophobicContact CB-CD1 4.39Å; I763-I777 HydrophobicContact CB-CG1 3.83Å; I763-I777 HydrophobicContact CG2-CG1 3.84Å; I777-N779 PolarHBondContact O-N 3.01Å; I777-N779 VanDerWaalsContact O-N 3.13Å; I777-V780 PolarHBondContact O-N 2.89Å
778	S	88.1	Confident	90.4	Very high	52 Å²	52	48.7 Å²	48.7	36%	0.364	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.3	-0.4	175.4	60.2	0	0	0	0	115.6	K761 K776	K761-S778 WeakPolarHBondContact CE-OG 3.45Å; K776-S778 PolarHBondContact O-N 2.8Å
779	N	90.9	Very high	90.5	Very high	16 Å²	16	48.3 Å²	48.3	9%	0.086	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-114.7	-0.6	-176.3	-74.6	59.8	0	0	0	112.6	V711 E712 H713 E714 K776 I777	V711-N779 WeakPolarHBondContact CA-O 3.41Å; E712-N779 PolarHBondContact N-O 3.02Å; H713-N779 HydrophobicContact CB-CB 4.27Å; H713-N779 PolarHBondContact N-O 2.93Å; H713-N779 WeakPolarHBondContact O-CB 3.26Å; H713-N779 PolarHBondContact O-ND2 2.89Å; E714-N779 PolarHBondContact O-ND2 3.13Å; K776-N779 HydrophobicContact CB-CB 4.05Å; K776-N779 VanDerWaalsContact CB-OD1 3.25Å; K776-N779 WeakPolarHBondContact CB-OD1 3.26Å; K776-N779 WeakPolarHBondContact CD-OD1 3.44Å; K776-N779 WeakPolarHBondContact O-CB 3.34Å; K776-N779 PolarHBondContact O-N 3.26Å; I777-N779 PolarHBondContact O-N 3.01Å; I777-N779 VanDerWaalsContact O-N 3.13Å
780	V	92.7	Very high	90.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	-172.7	-64.1	0	0	0	0	111.3	I703 L709 I710 V711 L732 A775 I777	I703-V780 HydrophobicContact CD1-CG2 4.39Å; L709-V780 HydrophobicContact CB-CB 4.35Å; L709-V780 HydrophobicContact CD1-CB 4.45Å; L709-V780 HydrophobicContact CD1-CG2 4.11Å; I710-V780 VanDerWaalsContact O-CA 3.28Å; I710-V780 WeakPolarHBondContact O-CA 3.47Å; V711-V780 HydrophobicContact CG2-CG1 4.02Å; L732-V780 HydrophobicContact CD1-CG1 4.14Å; A775-V780 HydrophobicContact CB-CG1 4.42Å; I777-V780 PolarHBondContact O-N 2.89Å
781	R	92.8	Very high	90.6	Very high	47 Å²	47	49.3 Å²	49.3	18%	0.177	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.8	162.6	68.1	167.3	162.6	92	5.2	111.2	L709 I710 E712 E788	L709-R781 CarbonylContact C-O 3.57Å; L709-R781 WeakPolarHBondContact CA-O 3.49Å; L709-R781 WeakPolarHBondContact CB-O 3.11Å; I710-R781 HydrophobicContact CG2-CG 3.55Å; I710-R781 VanDerWaalsContact CG2-CZ 3.49Å; I710-R781 PolarHBondContact N-O 3.41Å; I710-R781 PolarHBondContact O-N 3.07Å; E712-R781 HydrophobicContact CG-CG 4.01Å; E712-R781 WeakPolarHBondContact OE1-CD 3.29Å; E712-R781 IonicContact OE1-CZ 3.82Å; E712-R781 IonicContact OE1-NE 3.8Å; E712-R781 PolarHBondContact OE1-NE 3.42Å; R781-E788 IonicContact CZ-OE1 3.59Å; R781-E788 IonicContact CZ-OE2 3.57Å; R781-E788 IonicContact NH1-OE1 3.18Å; R781-E788 PolarHBondContact NH1-OE1 3.29Å; R781-E788 IonicContact NH1-OE2 3.04Å; R781-E788 PolarHBondContact NH1-OE2 3.07Å; R781-E788 IonicContact NH2-OE1 3.48Å; R781-E788 PolarHBondContact NH2-OE1 3.38Å; R781-E788 IonicContact NH2-OE2 2.7Å
782	V	93.3	Very high	90.6	Very high	13 Å²	13	46.6 Å²	46.6	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.9	168.9	-176.4	0	0	0	0	109.9	K701 I703 D707 L709	K701-V782 HydrophobicContact CD-CB 4.07Å; K701-V782 HydrophobicContact CD-CG1 4.03Å; K701-V782 HydrophobicContact CD-CG2 4.35Å; K701-V782 HydrophobicContact CG-CG2 4.42Å; I703-V782 HydrophobicContact CB-CG2 4.28Å; I703-V782 HydrophobicContact CG1-CG2 3.69Å; D707-V782 HydrophobicContact CB-CG1 4.28Å; L709-V782 HydrophobicContact CD2-CB 4.32Å; L709-V782 HydrophobicContact CD2-CG2 3.85Å
783	I	92.9	Very high	90.4	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.041	25%	0.25	C	S	.	.			trans	-90.4	96.6	167	-48.5	172.7	0	0	0	107.1	W708 I710 I731 E788 L789	W708-I783 HydrophobicContact CB-CD1 4.26Å; W708-I783 PolarHBondContact O-N 3.05Å; I710-I783 HydrophobicContact CB-CD1 3.96Å; I710-I783 HydrophobicContact CB-CG1 3.9Å; I710-I783 HydrophobicContact CG2-CD1 4.42Å; I710-I783 HydrophobicContact CG2-CG1 3.82Å; I731-I783 HydrophobicContact CD1-CD1 3.88Å; I731-I783 HydrophobicContact CG2-CD1 4.07Å; I783-E788 HydrophobicContact CG2-CB 3.97Å; I783-E788 HydrophobicContact CG2-CG 3.84Å; I783-L789 HydrophobicContact CD1-CD1 4.43Å; I783-L789 HydrophobicContact CG2-CB 3.79Å
784	D	88.8	Confident	90.2	Very high	113 Å²	113	48.2 Å²	48.2	60%	0.604	27%	0.269	S	S	*	.			trans	-94.2	-27.1	-179.1	66.8	-18.8	0	0	0	113.2	K701 S786	K701-D784 HydrophobicContact CD-CB 4.22Å; K701-D784 VanDerWaalsContact NZ-CB 3.33Å; D784-S786 PolarHBondContact O-N 2.87Å
785	N	89.4	Confident	90	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	27%	0.269	S	S	.	.			trans	-71.6	111.3	174.3	-179.3	-6.3	0	0	0	111.3	N787 E788 L789	N785-N787 PolarHBondContact O-N 2.73Å; N785-N787 VanDerWaalsContact O-N 3.11Å; N785-N787 WeakPolarHBondContact OD1-CB 3.44Å; N785-N787 PolarHBondContact OD1-N 3.21Å; N785-E788 HydrophobicContact CB-CB 3.97Å; N785-E788 WeakPolarHBondContact O-CB 3.49Å; N785-E788 PolarHBondContact O-N 3.02Å; N785-E788 VanDerWaalsContact O-N 3.11Å; N785-L789 PolarHBondContact O-N 2.95Å
786	S	89.6	Confident	90	Very high	67 Å²	67	47.4 Å²	47.4	47%	0.469	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-24.9	179.4	-170.9	0	0	0	0	114.4	D784 A790	D784-S786 PolarHBondContact O-N 2.87Å; S786-A790 VanDerWaalsContact O-CB 3.25Å; S786-A790 WeakPolarHBondContact O-CB 3.45Å; S786-A790 PolarHBondContact O-N 3.2Å
787	N	90.5	Very high	90.1	Very high	119 Å²	119	45.3 Å²	45.3	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-81.3	-35.3	178.2	-64.2	-28.6	0	0	0	111.9	N785 S791	N785-N787 PolarHBondContact O-N 2.73Å; N785-N787 VanDerWaalsContact O-N 3.11Å; N785-N787 WeakPolarHBondContact OD1-CB 3.44Å; N785-N787 PolarHBondContact OD1-N 3.21Å; N787-S791 WeakPolarHBondContact O-CB 3.28Å; N787-S791 PolarHBondContact O-N 2.94Å; N787-S791 VanDerWaalsContact O-N 3.14Å; N787-S791 PolarHBondContact O-OG 2.78Å
788	E	91.5	Very high	90.4	Very high	50 Å²	50	45.6 Å²	45.6	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-50.9	169.4	-175.1	178.8	-157.2	0	0	109.2	R781 I783 N785 A790 S791 C792	R781-E788 IonicContact CZ-OE1 3.59Å; R781-E788 IonicContact CZ-OE2 3.57Å; R781-E788 IonicContact NH1-OE1 3.18Å; R781-E788 PolarHBondContact NH1-OE1 3.29Å; R781-E788 IonicContact NH1-OE2 3.04Å; R781-E788 PolarHBondContact NH1-OE2 3.07Å; R781-E788 IonicContact NH2-OE1 3.48Å; R781-E788 PolarHBondContact NH2-OE1 3.38Å; R781-E788 IonicContact NH2-OE2 2.7Å; I783-E788 HydrophobicContact CG2-CB 3.97Å; I783-E788 HydrophobicContact CG2-CG 3.84Å; N785-E788 HydrophobicContact CB-CB 3.97Å; N785-E788 WeakPolarHBondContact O-CB 3.49Å; N785-E788 PolarHBondContact O-N 3.02Å; N785-E788 VanDerWaalsContact O-N 3.11Å; E788-A790 PolarHBondContact O-N 2.88Å; E788-S791 WeakPolarHBondContact O-CB 3.47Å; E788-S791 PolarHBondContact O-N 3.49Å; E788-S791 VanDerWaalsContact O-N 3.09Å; E788-C792 PolarHBondContact O-N 3.02Å; E788-C792 PolarHBondContact O-SG 3.32Å; E788-C792 VanDerWaalsContact O-SG 3.33Å
789	L	89.2	Confident	90.9	Very high	33 Å²	33	43.1 Å²	43.1	17%	0.173	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-43.3	177.9	-179.2	56.5	0	0	0	112.7	W708 I783 N785 S791 C792 L793	W708-L789 HydrophobicContact CB-CD1 3.56Å; W708-L789 HydrophobicContact CB-CD2 4.5Å; W708-L789 HydrophobicContact CD2-CD1 4.1Å; W708-L789 HydrophobicContact CG-CD1 3.48Å; W708-L789 VanDerWaalsContact CG-CD1 3.48Å; W708-L789 HydrophobicContact CG-CD2 4.26Å; I783-L789 HydrophobicContact CD1-CD1 4.43Å; I783-L789 HydrophobicContact CG2-CB 3.79Å; N785-L789 PolarHBondContact O-N 2.95Å; L789-S791 VanDerWaalsContact C-N 3.3Å; L789-S791 PolarHBondContact O-N 2.64Å; L789-C792 PolarHBondContact O-N 3.36Å; L789-L793 HydrophobicContact CD1-CD1 3.88Å; L789-L793 HydrophobicContact CD1-CG 3.95Å; L789-L793 HydrophobicContact CG-CD1 3.91Å; L789-L793 HydrophobicContact CG-CG 4.39Å; L789-L793 WeakPolarHBondContact O-CB 3.25Å; L789-L793 VanDerWaalsContact O-CG 3.32Å; L789-L793 WeakPolarHBondContact O-CG 3.34Å; L789-L793 PolarHBondContact O-N 2.98Å
790	A	88.6	Confident	91.2	Very high	44 Å²	44	45.8 Å²	45.8	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-41.4	176	0	0	0	0	0	111.8	S786 E788 L793 E794	S786-A790 VanDerWaalsContact O-CB 3.25Å; S786-A790 WeakPolarHBondContact O-CB 3.45Å; S786-A790 PolarHBondContact O-N 3.2Å; E788-A790 PolarHBondContact O-N 2.88Å; A790-L793 PolarHBondContact O-N 3.4Å; A790-E794 WeakPolarHBondContact O-CB 3.47Å; A790-E794 PolarHBondContact O-N 2.78Å
791	S	89.4	Confident	91.4	Very high	80 Å²	80	45.7 Å²	45.7	56%	0.559	25%	0.253	S	S	*	.	H	α-helix	trans	-67.8	-41	178.3	-58	0	0	0	0	111.7	N787 E788 L789 E794 A795	N787-S791 WeakPolarHBondContact O-CB 3.28Å; N787-S791 PolarHBondContact O-N 2.94Å; N787-S791 VanDerWaalsContact O-N 3.14Å; N787-S791 PolarHBondContact O-OG 2.78Å; E788-S791 WeakPolarHBondContact O-CB 3.47Å; E788-S791 PolarHBondContact O-N 3.49Å; E788-S791 VanDerWaalsContact O-N 3.09Å; L789-S791 VanDerWaalsContact C-N 3.3Å; L789-S791 PolarHBondContact O-N 2.64Å; S791-E794 PolarHBondContact O-N 2.94Å; S791-A795 WeakPolarHBondContact O-CB 3.36Å; S791-A795 PolarHBondContact O-N 3.35Å
792	C	89.1	Confident	91.5	Very high	19 Å²	19	46.9 Å²	46.9	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-40.3	172.6	-68.5	0	0	0	0	112.5	I731 W768 E788 L789 A795 R796	I731-C792 HydrophobicContact CD1-CB 3.99Å; I731-C792 HydrophobicContact CG1-CB 4.04Å; W768-C792 WeakPolarHBondContact CZ2-O 3.43Å; E788-C792 PolarHBondContact O-N 3.02Å; E788-C792 PolarHBondContact O-SG 3.32Å; E788-C792 VanDerWaalsContact O-SG 3.33Å; L789-C792 PolarHBondContact O-N 3.36Å; C792-A795 PolarHBondContact O-N 3.33Å; C792-R796 PolarHBondContact O-N 3.01Å
793	L	87	Confident	91.6	Very high	26 Å²	26	52.9 Å²	52.9	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-74.7	-27	177.1	-70.5	173.6	0	0	0	112.9	W708 L789 A790 A795 R796	W708-L793 HydrophobicContact CH2-CD2 3.99Å; W708-L793 HydrophobicContact CZ2-CD2 3.98Å; W708-L793 HydrophobicContact CZ3-CD2 4.31Å; L789-L793 HydrophobicContact CD1-CD1 3.88Å; L789-L793 HydrophobicContact CD1-CG 3.95Å; L789-L793 HydrophobicContact CG-CD1 3.91Å; L789-L793 HydrophobicContact CG-CG 4.39Å; L789-L793 WeakPolarHBondContact O-CB 3.25Å; L789-L793 VanDerWaalsContact O-CG 3.32Å; L789-L793 WeakPolarHBondContact O-CG 3.34Å; L789-L793 PolarHBondContact O-N 2.98Å; A790-L793 PolarHBondContact O-N 3.4Å; L793-A795 VanDerWaalsContact C-N 3.34Å; L793-R796 PolarHBondContact O-N 3.12Å
794	E	87.8	Confident	91.7	Very high	104 Å²	104	58 Å²	58	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-69.1	-33.8	168.4	-175.6	119.2	-82.2	0	0	111.7	A790 S791 R796 R798	A790-E794 WeakPolarHBondContact O-CB 3.47Å; A790-E794 PolarHBondContact O-N 2.78Å; S791-E794 PolarHBondContact O-N 2.94Å; E794-R796 VanDerWaalsContact C-N 3.3Å; E794-R796 PolarHBondContact O-N 3.05Å; E794-R798 IonicContact OE1-CZ 3.93Å; E794-R798 VanDerWaalsContact OE1-CZ 3.24Å; E794-R798 IonicContact OE1-NH1 2.86Å; E794-R798 PolarHBondContact OE1-NH1 2.91Å; E794-R798 IonicContact OE1-NH2 2.8Å; E794-R798 PolarHBondContact OE1-NH2 2.97Å
795	A	87.7	Confident	92	Very high	34 Å²	34	53.8 Å²	53.8	28%	0.281	28%	0.283	S	S	.	.	S	Bend	trans	-76.8	-6.4	175.6	0	0	0	0	0	114.7	W768 S791 C792 L793 K854	W768-A795 HydrophobicContact CH2-CB 4.28Å; W768-A795 HydrophobicContact CZ2-CB 4.48Å; S791-A795 WeakPolarHBondContact O-CB 3.36Å; S791-A795 PolarHBondContact O-N 3.35Å; C792-A795 PolarHBondContact O-N 3.33Å; L793-A795 VanDerWaalsContact C-N 3.34Å; A795-K854 WeakPolarHBondContact O-CD 3.31Å; A795-K854 WeakPolarHBondContact O-CE 3.43Å; A795-K854 PolarHBondContact O-NZ 3.3Å
796	R	90.2	Very high	92.2	Very high	6 Å²	6	55 Å²	55	2%	0.023	29%	0.29	C	S	.	.	S	Bend	trans	-78.2	140.9	177.6	-171.1	174.3	178.8	-154.8	-3.8	111.7	W768 C792 L793 E794 R798 Y822	W768-R796 HydrophobicContact CB-CG 4.24Å; W768-R796 HydrophobicContact CD2-CB 4.35Å; W768-R796 HydrophobicContact CD2-CG 4.1Å; W768-R796 HydrophobicContact CG-CB 4.44Å; W768-R796 HydrophobicContact CG-CG 3.74Å; W768-R796 HydrophobicContact CZ2-CB 4.41Å; W768-R796 PolarHBondContact O-NE 2.79Å; W768-R796 PolarHBondContact O-NH2 2.83Å; C792-R796 PolarHBondContact O-N 3.01Å; L793-R796 PolarHBondContact O-N 3.12Å; E794-R796 VanDerWaalsContact C-N 3.3Å; E794-R796 PolarHBondContact O-N 3.05Å; R796-R798 PolarHBondContact O-N 3.05Å; R796-Y822 HydrophobicContact CB-CD1 4Å; R796-Y822 HydrophobicContact CB-CE1 4.17Å; R796-Y822 VanDerWaalsContact CD-CD1 3.49Å; R796-Y822 HydrophobicContact CG-CD1 3.84Å; R796-Y822 HydrophobicContact CG-CE1 4.45Å; R796-Y822 VanDerWaalsContact NH1-CG 3.32Å
797	P	93.7	Very high	92.3	Very high	7 Å²	7	57.5 Å²	57.5	5%	0.045	29%	0.294	C	S	.	.			trans	-47.2	124.9	167.3	-32.3	38.5	0	0	0	112.2	F769 Y822 L823 P855 L856	F769-P797 HydrophobicContact CE1-CG 4.32Å; P797-Y822 WeakPolarHBondContact O-CA 3.46Å; P797-L823 HydrophobicContact CB-CB 3.99Å; P797-L823 PolarHBondContact O-N 3.41Å; P797-P855 VanDerWaalsContact CB-O 3.28Å; P797-P855 WeakPolarHBondContact CB-O 3.15Å; P797-P855 WeakPolarHBondContact CG-O 3.42Å; P797-L856 HydrophobicContact CB-CD2 4.05Å; P797-L856 HydrophobicContact CB-CG 4.35Å; P797-L856 HydrophobicContact CG-CD2 4.47Å
798	R	95.7	Very high	92.2	Very high	37 Å²	37	58 Å²	58	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	147.5	-173.3	70	-171.1	-178.2	168.8	1.9	113.3	E794 R796 I820 V821 Y822 I853 K854	E794-R798 IonicContact OE1-CZ 3.93Å; E794-R798 VanDerWaalsContact OE1-CZ 3.24Å; E794-R798 IonicContact OE1-NH1 2.86Å; E794-R798 PolarHBondContact OE1-NH1 2.91Å; E794-R798 IonicContact OE1-NH2 2.8Å; E794-R798 PolarHBondContact OE1-NH2 2.97Å; R796-R798 PolarHBondContact O-N 3.05Å; R798-I820 HydrophobicContact CB-CG2 4.3Å; R798-V821 CarbonylContact C-O 3.6Å; R798-V821 VanDerWaalsContact CA-O 3.3Å; R798-V821 WeakPolarHBondContact CA-O 3.08Å; R798-Y822 HydrophobicContact CB-CD1 3.89Å; R798-Y822 HydrophobicContact CB-CE1 4.37Å; R798-I853 HydrophobicContact CG-CB 4.15Å; R798-I853 HydrophobicContact CG-CG2 4.37Å; R798-I853 PolarHBondContact O-N 3.03Å; R798-I853 VanDerWaalsContact O-N 3.08Å; R798-K854 HydrophobicContact CG-CB 4.46Å; R798-K854 PolarHBondContact N-O 3.36Å; R798-K854 PolarHBondContact O-N 3.36Å; R798-K854 VanDerWaalsContact O-O 3.13Å
799	V	97.3	Very high	92.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	165.1	174.6	-58.9	0	0	0	0	110.9	I820 V821 L823 F845 V850 E851 V852	V799-I820 WeakPolarHBondContact O-CA 3.43Å; V799-V821 HydrophobicContact CG2-CB 3.85Å; V799-V821 PolarHBondContact N-O 3.31Å; V799-V821 PolarHBondContact O-N 3.29Å; V799-L823 HydrophobicContact CG1-CD1 3.75Å; V799-L823 HydrophobicContact CG1-CD2 3.71Å; V799-L823 HydrophobicContact CG1-CG 3.86Å; V799-L823 HydrophobicContact CG2-CD2 4.1Å; V799-F845 HydrophobicContact CG2-CE2 3.9Å; V799-F845 HydrophobicContact CG2-CZ 3.9Å; V799-V850 HydrophobicContact CB-CB 3.91Å; V799-V850 HydrophobicContact CB-CG2 3.94Å; V799-V850 HydrophobicContact CG1-CB 4.48Å; V799-V850 HydrophobicContact CG1-CG2 3.96Å; V799-V850 HydrophobicContact CG2-CB 3.95Å; V799-V850 HydrophobicContact CG2-CG1 4.02Å; V799-V850 HydrophobicContact CG2-CG2 4.08Å; V799-E851 CarbonylContact C-O 3.55Å; V799-E851 WeakPolarHBondContact CA-O 3.46Å; V799-E851 WeakPolarHBondContact CB-O 3.41Å; V799-V852 HydrophobicContact CG1-CB 4.47Å; V799-V852 HydrophobicContact CG1-CG2 4.04Å
800	K	97.4	Very high	92.1	Very high	73 Å²	73	62.5 Å²	62.5	32%	0.317	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.5	169.6	170.1	174.1	149.7	-123.4	0	109.7	L802 E819 I820 V850 E851 I853	K800-L802 PolarHBondContact O-N 2.9Å; K800-E819 CarbonylContact C-O 3.59Å; K800-E819 VanDerWaalsContact CA-O 3.29Å; K800-E819 WeakPolarHBondContact CA-O 3.41Å; K800-I820 HydrophobicContact CB-CD1 3.92Å; K800-I820 HydrophobicContact CG-CD1 4.29Å; K800-V850 CarbonylContact O-C 3.47Å; K800-V850 VanDerWaalsContact O-CA 3.29Å; K800-V850 WeakPolarHBondContact O-CA 3.35Å; K800-E851 PolarHBondContact N-O 2.84Å; K800-E851 IonicContact NZ-OE2 2.63Å; K800-E851 PolarHBondContact NZ-OE2 3.2Å; K800-E851 PolarHBondContact O-N 3Å; K800-I853 HydrophobicContact CB-CD1 3.81Å; K800-I853 HydrophobicContact CB-CG1 4.25Å
801	A	97.3	Very high	92.2	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	128.7	175.9	0	0	0	0	0	111.1	L815 S816 G818 E819	A801-L815 HydrophobicContact CB-CB 4Å; A801-L815 HydrophobicContact CB-CD1 4.32Å; A801-S816 VanDerWaalsContact CB-O 3.25Å; A801-S816 WeakPolarHBondContact CB-O 3.48Å; A801-G818 PolarHBondContact O-N 2.8Å; A801-E819 HydrophobicContact CB-CB 4.32Å; A801-E819 PolarHBondContact N-O 2.93Å
802	L	95.5	Very high	92.5	Very high	72 Å²	72	62 Å²	62	38%	0.377	30%	0.302	S	S	.	.			trans	-92.1	-35.7	175.4	-67.6	176.9	0	0	0	111.6	K800 F849 E851	K800-L802 PolarHBondContact O-N 2.9Å; L802-F849 PolarHBondContact N-O 3.15Å; L802-E851 HydrophobicContact CD1-CB 4.11Å; L802-E851 HydrophobicContact CD2-CB 3.88Å; L802-E851 HydrophobicContact CG-CB 3.95Å
803	Y	94.4	Very high	92.8	Very high	140 Å²	140	61.2 Å²	61.2	55%	0.549	30%	0.296	S	S	.	.	S	Bend	trans	-127.5	162.3	-178.3	-49.2	-63.7	0	0	0	110.9	F849	Y803-F849 HydrophobicContact CD2-CG 4.45Å; Y803-F849 PolarHBondContact N-O 2.8Å
804	K	95.9	Very high	93.2	Very high	116 Å²	116	60.9 Å²	60.9	50%	0.504	30%	0.299	S	S	.	.			trans	-73.4	132.1	170.9	-177.5	164.3	179.1	-84.2	0	109.2	D806 L815 P817 F849	K804-D806 IonicContact NZ-OD1 3.15Å; K804-D806 PolarHBondContact NZ-OD1 3.09Å; K804-D806 IonicContact NZ-OD2 2.78Å; K804-D806 PolarHBondContact NZ-OD2 3.38Å; K804-L815 VanDerWaalsContact CA-O 3.31Å; K804-L815 WeakPolarHBondContact CA-O 3.31Å; K804-P817 HydrophobicContact CB-CG 4.27Å; K804-F849 WeakPolarHBondContact O-CE1 3.18Å
805	F	94.8	Very high	93.6	Very high	23 Å²	23	56 Å²	56	10%	0.101	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-122.1	126.2	170	-178.1	-116.7	0	0	0	107.7	D812 L813 G814 L815 W831 F845 P846 F849	F805-D812 HydrophobicContact CE1-CB 4.19Å; F805-L813 WeakPolarHBondContact CD1-O 3.29Å; F805-G814 CarbonylContact O-C 3.55Å; F805-G814 WeakPolarHBondContact O-CA 3.37Å; F805-L815 HydrophobicContact CB-CB 3.89Å; F805-L815 HydrophobicContact CB-CD1 4.06Å; F805-L815 HydrophobicContact CB-CG 3.97Å; F805-L815 HydrophobicContact CD1-CG 4.49Å; F805-L815 PolarHBondContact N-O 2.91Å; F805-L815 PolarHBondContact O-N 3.34Å; F805-W831 HydrophobicContact CE1-CZ3 4.4Å; F805-W831 AromaticContact CZ-CH2 3.98Å; F805-W831 HydrophobicContact CZ-CH2 3.98Å; F805-W831 AromaticContact CZ-CZ3 3.97Å; F805-W831 HydrophobicContact CZ-CZ3 3.97Å; F805-F845 HydrophobicContact CD1-CB 4.18Å; F805-F845 HydrophobicContact CE1-CB 4.31Å; F805-P846 HydrophobicContact CD2-CG 4.12Å; F805-P846 HydrophobicContact CE2-CG 3.82Å; F805-P846 HydrophobicContact CZ-CG 4.12Å; F805-F849 HydrophobicContact CB-CD1 3.84Å; F805-F849 HydrophobicContact CB-CE1 4.23Å; F805-F849 HydrophobicContact CD2-CD1 4.26Å; F805-F849 HydrophobicContact CD2-CE1 4.1Å; F805-F849 HydrophobicContact CG-CD1 4.42Å
806	D	93.7	Very high	94	Very high	103 Å²	103	57.6 Å²	57.6	55%	0.551	29%	0.286	S	S	*	.			trans	-92.8	134.4	176.8	-74.8	-78.7	0	0	0	109.6	K804 E808	K804-D806 IonicContact NZ-OD1 3.15Å; K804-D806 PolarHBondContact NZ-OD1 3.09Å; K804-D806 IonicContact NZ-OD2 2.78Å; K804-D806 PolarHBondContact NZ-OD2 3.38Å; D806-E808 PolarHBondContact O-N 3.01Å
807	E	91.8	Very high	94.3	Very high	120 Å²	120	61.3 Å²	61.3	56%	0.561	31%	0.31	S	S	*	.			trans	-69.5	113.5	178.5	53.5	-163.8	-152	0	0	111	D812 G814	E807-D812 HydrophobicContact CB-CB 4.36Å; E807-G814 PolarHBondContact OE2-N 3.42Å
808	E	88.9	Confident	94.3	Very high	129 Å²	129	63.1 Å²	63.1	60%	0.603	33%	0.33	S	S	*	.			trans	-87	-24.4	178.8	-76	-172.7	-177.3	0	0	112.8	R400 D806	R400-E808 WeakPolarHBondContact CD-OE2 3.28Å; R400-E808 IonicContact CZ-OE2 3.03Å; R400-E808 IonicContact NE-OE2 2.73Å; R400-E808 IonicContact NH1-OE2 3.34Å; R400-E808 PolarHBondContact NH1-OE2 2.89Å; D806-E808 PolarHBondContact O-N 3.01Å
809	T	89.1	Confident	94.3	Very high	47 Å²	47	62.4 Å²	62.4	29%	0.288	33%	0.329	S	S	.	.	S	Bend	trans	-149.2	159.4	179.7	60.9	0	0	0	0	111.2	R400 E811 D812	R400-T809 PolarHBondContact NH2-OG1 2.9Å; R400-T809 VanDerWaalsContact NH2-OG1 3.16Å; T809-E811 PolarHBondContact O-N 2.82Å; T809-D812 WeakPolarHBondContact CB-OD2 3.32Å; T809-D812 PolarHBondContact N-OD2 2.92Å; T809-D812 WeakPolarHBondContact O-CB 3.26Å; T809-D812 PolarHBondContact O-N 2.98Å; T809-D812 PolarHBondContact OG1-OD2 2.9Å
810	D	88.6	Confident	94.3	Very high	131 Å²	131	64.8 Å²	64.8	70%	0.701	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	0	-179.5	-25	-27.2	0	0	0	115.8	K633	K633-D810 VanDerWaalsContact NZ-CG 3.32Å; K633-D810 IonicContact NZ-OD2 3.28Å; K633-D810 PolarHBondContact NZ-OD2 2.96Å
811	E	91.4	Very high	94.2	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.5	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-14.2	172.1	-62.4	-177.3	-145.7	0	0	112.7	T809 G843 M844	T809-E811 PolarHBondContact O-N 2.82Å; E811-G843 CarbonylContact O-C 3.48Å; E811-G843 WeakPolarHBondContact O-CA 3.35Å; E811-M844 HydrophobicContact CB-CE 4.05Å; E811-M844 PolarHBondContact O-N 3.13Å
812	D	94.9	Very high	94.1	Very high	7 Å²	7	62 Å²	62	4%	0.037	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-82.8	153	177	-57.8	-53.2	0	0	0	110.2	R400 F805 E807 T809 M844	R400-D812 IonicContact CZ-OD1 2.73Å; R400-D812 IonicContact CZ-OD2 2.73Å; R400-D812 IonicContact NH1-OD2 2.67Å; R400-D812 PolarHBondContact NH1-OD2 3.08Å; R400-D812 VanDerWaalsContact NH2-CG 3.3Å; R400-D812 IonicContact NH2-OD1 2.94Å; R400-D812 PolarHBondContact NH2-OD1 2.93Å; R400-D812 IonicContact NH2-OD2 3.24Å; R400-D812 PolarHBondContact NH2-OD2 3.25Å; F805-D812 HydrophobicContact CE1-CB 4.19Å; E807-D812 HydrophobicContact CB-CB 4.36Å; T809-D812 WeakPolarHBondContact CB-OD2 3.32Å; T809-D812 PolarHBondContact N-OD2 2.92Å; T809-D812 WeakPolarHBondContact O-CB 3.26Å; T809-D812 PolarHBondContact O-N 2.98Å; T809-D812 PolarHBondContact OG1-OD2 2.9Å; D812-M844 CarbonylContact C-O 3.49Å; D812-M844 WeakPolarHBondContact CA-O 3.41Å
813	L	95.6	Very high	94.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	31%	0.311	C	S	.	.			trans	-112	111.5	173.6	178.5	61.2	0	0	0	110	F805 L815 V821 N841 M844 F845	F805-L813 WeakPolarHBondContact CD1-O 3.29Å; L813-L815 HydrophobicContact CD2-CD2 4.45Å; L813-L815 HydrophobicContact CG-CD2 4.35Å; L813-L815 PolarHBondContact O-N 3.09Å; L813-V821 HydrophobicContact CD2-CG1 3.72Å; L813-V821 HydrophobicContact CD2-CG2 4.35Å; L813-N841 HydrophobicContact CD1-CB 3.64Å; L813-M844 PolarHBondContact N-O 3.27Å; L813-F845 HydrophobicContact CB-CD1 4.16Å; L813-F845 HydrophobicContact CD2-CD1 4Å; L813-F845 HydrophobicContact CD2-CE1 4.17Å
814	G	94.8	Very high	94.1	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	29%	0.288	C	S	.	.			trans	-56.6	136.3	171.8	0	0	0	0	0	112	F805 E807	F805-G814 CarbonylContact O-C 3.55Å; F805-G814 WeakPolarHBondContact O-CA 3.37Å; E807-G814 PolarHBondContact OE2-N 3.42Å
815	L	96.5	Very high	93.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-120.4	137.4	-179	-57.2	-179.4	0	0	0	111.4	A801 K804 F805 L813 V821 F845 F849 V850	A801-L815 HydrophobicContact CB-CB 4Å; A801-L815 HydrophobicContact CB-CD1 4.32Å; K804-L815 VanDerWaalsContact CA-O 3.31Å; K804-L815 WeakPolarHBondContact CA-O 3.31Å; F805-L815 HydrophobicContact CB-CB 3.89Å; F805-L815 HydrophobicContact CB-CD1 4.06Å; F805-L815 HydrophobicContact CB-CG 3.97Å; F805-L815 HydrophobicContact CD1-CG 4.49Å; F805-L815 PolarHBondContact N-O 2.91Å; F805-L815 PolarHBondContact O-N 3.34Å; L813-L815 HydrophobicContact CD2-CD2 4.45Å; L813-L815 HydrophobicContact CG-CD2 4.35Å; L813-L815 PolarHBondContact O-N 3.09Å; L815-V821 HydrophobicContact CD2-CG2 3.69Å; L815-F845 HydrophobicContact CD1-CB 3.9Å; L815-F845 HydrophobicContact CD1-CD2 3.96Å; L815-F845 HydrophobicContact CD1-CG 4.07Å; L815-F845 HydrophobicContact CD2-CB 4.35Å; L815-F845 HydrophobicContact CD2-CD1 4.43Å; L815-F845 HydrophobicContact CD2-CG 4.17Å; L815-F845 HydrophobicContact CG-CB 4.18Å; L815-F845 HydrophobicContact CG-CG 4.45Å; L815-F849 HydrophobicContact CD1-CB 4.23Å; L815-V850 HydrophobicContact CD1-CG1 3.75Å
816	S	95.6	Very high	93.9	Very high	67 Å²	67	51.9 Å²	51.9	47%	0.469	29%	0.292	S	S	.	.			trans	-107.9	138.4	167.9	-62.7	0	0	0	0	112	A801 G818 E819	A801-S816 VanDerWaalsContact CB-O 3.25Å; A801-S816 WeakPolarHBondContact CB-O 3.48Å; S816-G818 PolarHBondContact O-N 3.4Å; S816-E819 PolarHBondContact N-OE2 3.03Å; S816-E819 WeakPolarHBondContact O-CB 3.26Å; S816-E819 PolarHBondContact O-N 2.86Å
817	P	96.5	Very high	93.7	Very high	83 Å²	83	50 Å²	50	54%	0.539	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128.8	179.1	-26	33.6	0	0	0	113.1	K804 E819	K804-P817 HydrophobicContact CB-CG 4.27Å; P817-E819 VanDerWaalsContact C-N 3.35Å
818	G	95.2	Very high	93.6	Very high	45 Å²	45	48 Å²	48	46%	0.464	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-8.7	-175.5	0	0	0	0	0	115.2	A801 S816	A801-G818 PolarHBondContact O-N 2.8Å; S816-G818 PolarHBondContact O-N 3.4Å
819	E	95.9	Very high	93.4	Very high	23 Å²	23	47.9 Å²	47.9	11%	0.107	27%	0.273	C	S	.	.			trans	-65.7	141.6	176.8	-178.5	167.3	-160.5	0	0	112.3	K800 A801 S816 P817 V821 S836 S838	K800-E819 CarbonylContact C-O 3.59Å; K800-E819 VanDerWaalsContact CA-O 3.29Å; K800-E819 WeakPolarHBondContact CA-O 3.41Å; A801-E819 HydrophobicContact CB-CB 4.32Å; A801-E819 PolarHBondContact N-O 2.93Å; S816-E819 PolarHBondContact N-OE2 3.03Å; S816-E819 WeakPolarHBondContact O-CB 3.26Å; S816-E819 PolarHBondContact O-N 2.86Å; P817-E819 VanDerWaalsContact C-N 3.35Å; E819-V821 HydrophobicContact CG-CG2 4.47Å; E819-S836 WeakPolarHBondContact OE1-CB 3.22Å; E819-S836 PolarHBondContact OE1-OG 3.26Å; E819-S838 WeakPolarHBondContact OE1-CB 3.28Å; E819-S838 PolarHBondContact OE1-OG 2.95Å
820	I	96.6	Very high	93.5	Very high	50 Å²	50	49.3 Å²	49.3	26%	0.256	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.4	172.4	-56.1	-56.2	0	0	0	109.5	R798 V799 K800 A837 I853	R798-I820 HydrophobicContact CB-CG2 4.3Å; V799-I820 WeakPolarHBondContact O-CA 3.43Å; K800-I820 HydrophobicContact CB-CD1 3.92Å; K800-I820 HydrophobicContact CG-CD1 4.29Å; I820-A837 HydrophobicContact CB-CB 4.1Å; I820-A837 HydrophobicContact CG2-CB 4.26Å; I820-A837 WeakPolarHBondContact O-CB 3.38Å; I820-A837 PolarHBondContact O-N 2.67Å; I820-I853 HydrophobicContact CD1-CD1 3.79Å
821	V	96.2	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.1	173.9	-177.7	0	0	0	0	108.5	R798 V799 L813 L815 E819 F845	R798-V821 CarbonylContact C-O 3.6Å; R798-V821 VanDerWaalsContact CA-O 3.3Å; R798-V821 WeakPolarHBondContact CA-O 3.08Å; V799-V821 HydrophobicContact CG2-CB 3.85Å; V799-V821 PolarHBondContact N-O 3.31Å; V799-V821 PolarHBondContact O-N 3.29Å; L813-V821 HydrophobicContact CD2-CG1 3.72Å; L813-V821 HydrophobicContact CD2-CG2 4.35Å; L815-V821 HydrophobicContact CD2-CG2 3.69Å; E819-V821 HydrophobicContact CG-CG2 4.47Å; V821-F845 HydrophobicContact CB-CZ 4.36Å; V821-F845 HydrophobicContact CG1-CE1 3.61Å; V821-F845 HydrophobicContact CG1-CZ 3.83Å
822	Y	95.2	Very high	94	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.3	173.8	-64.2	-71.2	0	0	0	110	R796 P797 R798 G834 E835 A837	R796-Y822 HydrophobicContact CB-CD1 4Å; R796-Y822 HydrophobicContact CB-CE1 4.17Å; R796-Y822 VanDerWaalsContact CD-CD1 3.49Å; R796-Y822 HydrophobicContact CG-CD1 3.84Å; R796-Y822 HydrophobicContact CG-CE1 4.45Å; R796-Y822 VanDerWaalsContact NH1-CG 3.32Å; P797-Y822 WeakPolarHBondContact O-CA 3.46Å; R798-Y822 HydrophobicContact CB-CD1 3.89Å; R798-Y822 HydrophobicContact CB-CE1 4.37Å; Y822-G834 CarbonylContact O-C 3.6Å; Y822-G834 WeakPolarHBondContact O-CA 3.26Å; Y822-E835 PolarHBondContact N-O 3.15Å; Y822-E835 PolarHBondContact O-N 2.86Å; Y822-A837 HydrophobicContact CD2-CB 4.04Å; Y822-A837 HydrophobicContact CE2-CB 3.58Å
823	L	95.4	Very high	94	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	147.1	-179.2	-63.2	-178.3	0	0	0	111.7	P797 V799 Y832 F845 L856	P797-L823 HydrophobicContact CB-CB 3.99Å; P797-L823 PolarHBondContact O-N 3.41Å; V799-L823 HydrophobicContact CG1-CD1 3.75Å; V799-L823 HydrophobicContact CG1-CD2 3.71Å; V799-L823 HydrophobicContact CG1-CG 3.86Å; V799-L823 HydrophobicContact CG2-CD2 4.1Å; L823-Y832 HydrophobicContact CD1-CD1 4.44Å; L823-Y832 HydrophobicContact CD2-CD1 4.22Å; L823-Y832 HydrophobicContact CD2-CD2 4.34Å; L823-Y832 HydrophobicContact CD2-CG 3.89Å; L823-F845 HydrophobicContact CD2-CZ 3.81Å; L823-L856 HydrophobicContact CB-CD1 4.12Å; L823-L856 HydrophobicContact CB-CD2 3.65Å; L823-L856 HydrophobicContact CB-CG 3.69Å; L823-L856 HydrophobicContact CD1-CD1 4.06Å; L823-L856 HydrophobicContact CD1-CG 3.79Å; L823-L856 HydrophobicContact CG-CG 4.4Å
824	F	93.1	Very high	94	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-49.8	170.9	-67.6	-49.3	0	0	0	111.8	W768 F769 G770 R833 G834 E835 R842 L856	W768-F824 WeakPolarHBondContact O-CD1 3.35Å; F769-F824 WeakPolarHBondContact O-CD1 3.37Å; G770-F824 VanDerWaalsContact N-CD1 3.34Å; F824-R833 HydrophobicContact CD2-CG 4.39Å; F824-R833 PolarHBondContact N-O 2.99Å; F824-G834 VanDerWaalsContact CD2-C 3.48Å; F824-G834 VanDerWaalsContact CD2-CA 3.47Å; F824-G834 VanDerWaalsContact CE2-C 3.43Å; F824-E835 HydrophobicContact CE2-CB 3.78Å; F824-E835 HydrophobicContact CZ-CB 3.65Å; F824-R842 HydrophobicContact CE2-CB 4.5Å; F824-R842 HydrophobicContact CE2-CG 3.97Å; F824-R842 HydrophobicContact CZ-CG 4.47Å; F824-L856 WeakPolarHBondContact O-CD2 3.49Å
825	E	92.3	Very high	94	Very high	86 Å²	86	45.5 Å²	45.5	40%	0.402	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.1	-178.8	56.1	174.7	-164.6	0	0	110.7	I827 R833	E825-I827 HydrophobicContact CG-CG1 4.38Å; E825-R833 HydrophobicContact CG-CB 3.61Å; E825-R833 PolarHBondContact O-N 3.44Å; E825-R833 IonicContact OE1-CZ 2.61Å; E825-R833 VanDerWaalsContact OE1-CZ 3.31Å; E825-R833 IonicContact OE1-NE 3.68Å; E825-R833 PolarHBondContact OE1-NE 2.89Å; E825-R833 IonicContact OE1-NH2 3.26Å; E825-R833 PolarHBondContact OE1-NH2 3.29Å
826	A	93.7	Very high	93.9	Very high	34 Å²	34	45.4 Å²	45.4	28%	0.281	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.5	158.8	0	0	0	0	0	107.1	Y832 L856	A826-Y832 HydrophobicContact CB-CD1 3.93Å; A826-Y832 HydrophobicContact CB-CE1 3.9Å; A826-L856 HydrophobicContact CB-CD1 4.21Å
827	I	89.5	Confident	93.8	Very high	62 Å²	62	42.8 Å²	42.8	32%	0.318	23%	0.226	S	C	.	.			trans	-76.3	-41.9	179	-58.3	172.8	0	0	0	108.8	E825 W831 R833 M844	E825-I827 HydrophobicContact CG-CG1 4.38Å; I827-W831 HydrophobicContact CB-CB 4.18Å; I827-W831 HydrophobicContact CD1-CB 4.35Å; I827-W831 PolarHBondContact N-O 3.22Å; I827-R833 HydrophobicContact CD1-CB 4.24Å; I827-R833 HydrophobicContact CG1-CB 4.39Å; I827-M844 HydrophobicContact CD1-CB 3.54Å; I827-M844 HydrophobicContact CD1-CE 4.34Å; I827-M844 HydrophobicContact CD1-SD 4.26Å
828	D	89.6	Confident	93.4	Very high	78 Å²	78	42.3 Å²	42.3	42%	0.417	23%	0.225	S	C	.	.	S	Bend	trans	-157.4	-170.8	170.4	58.8	36.5	0	0	0	109.8	N830 W831	D828-N830 PolarHBondContact O-N 3.07Å; D828-N830 VanDerWaalsContact O-N 3.11Å; D828-N830 VanDerWaalsContact OD1-CA 3.28Å; D828-N830 WeakPolarHBondContact OD1-CA 3.37Å; D828-N830 WeakPolarHBondContact OD1-CB 3.19Å; D828-N830 PolarHBondContact OD1-N 3.09Å; D828-W831 PolarHBondContact N-O 3.33Å; D828-W831 PolarHBondContact OD1-N 3.16Å
829	E	86.2	Confident	93.2	Very high	127 Å²	127	43.1 Å²	43.1	59%	0.593	22%	0.221	S	C	*	.	S	Bend	trans	-64.1	-8.5	177.1	-63.1	169.9	-153.8	0	0	114.1	G171	G171-E829 WeakPolarHBondContact CA-OE1 3.32Å
830	N	91.4	Very high	93	Very high	78 Å²	78	43 Å²	43	42%	0.417	23%	0.226	S	C	.	.	S	Bend	trans	-121.4	-15.8	-172.9	-59.5	162	0	0	0	113.1	D828 P846 A847	D828-N830 PolarHBondContact O-N 3.07Å; D828-N830 VanDerWaalsContact O-N 3.11Å; D828-N830 VanDerWaalsContact OD1-CA 3.28Å; D828-N830 WeakPolarHBondContact OD1-CA 3.37Å; D828-N830 WeakPolarHBondContact OD1-CB 3.19Å; D828-N830 PolarHBondContact OD1-N 3.09Å; N830-P846 CarbonylContact O-C 3.53Å; N830-P846 VanDerWaalsContact O-CA 3.26Å; N830-P846 WeakPolarHBondContact O-CA 3.34Å; N830-A847 PolarHBondContact O-N 3.39Å
831	W	92.9	Very high	92.8	Very high	62 Å²	62	44.7 Å²	44.7	24%	0.235	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.6	-177	-66.5	88.5	0	0	0	113.2	F805 I827 D828 M844 F845 P846	F805-W831 HydrophobicContact CE1-CZ3 4.4Å; F805-W831 AromaticContact CZ-CH2 3.98Å; F805-W831 HydrophobicContact CZ-CH2 3.98Å; F805-W831 AromaticContact CZ-CZ3 3.97Å; F805-W831 HydrophobicContact CZ-CZ3 3.97Å; I827-W831 HydrophobicContact CB-CB 4.18Å; I827-W831 HydrophobicContact CD1-CB 4.35Å; I827-W831 PolarHBondContact N-O 3.22Å; D828-W831 PolarHBondContact N-O 3.33Å; D828-W831 PolarHBondContact OD1-N 3.16Å; W831-M844 HydrophobicContact CE3-CB 4.09Å; W831-M844 HydrophobicContact CE3-CG 3.8Å; W831-M844 HydrophobicContact CE3-SD 4.14Å; W831-M844 HydrophobicContact CZ3-CG 3.98Å; W831-M844 HydrophobicContact CZ3-SD 4.46Å; W831-F845 WeakPolarHBondContact CA-O 3.22Å; W831-P846 HydrophobicContact CE3-CG 4.36Å; W831-P846 HydrophobicContact CH2-CG 3.92Å; W831-P846 HydrophobicContact CZ2-CG 4.33Å; W831-P846 HydrophobicContact CZ3-CG 3.94Å
832	Y	96.4	Very high	92.7	Very high	47 Å²	47	49.2 Å²	49.2	18%	0.184	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	157.2	166.2	-69	-59.9	0	0	0	110.6	L823 A826 M844 F845 A847 V850 V852 L856	L823-Y832 HydrophobicContact CD1-CD1 4.44Å; L823-Y832 HydrophobicContact CD2-CD1 4.22Å; L823-Y832 HydrophobicContact CD2-CD2 4.34Å; L823-Y832 HydrophobicContact CD2-CG 3.89Å; A826-Y832 HydrophobicContact CB-CD1 3.93Å; A826-Y832 HydrophobicContact CB-CE1 3.9Å; Y832-M844 CarbonylContact O-C 3.59Å; Y832-M844 WeakPolarHBondContact O-CA 3.39Å; Y832-F845 HydrophobicContact CD2-CE2 4.08Å; Y832-F845 HydrophobicContact CG-CE2 4.37Å; Y832-F845 PolarHBondContact N-O 3.42Å; Y832-F845 PolarHBondContact O-N 2.94Å; Y832-A847 HydrophobicContact CD2-CB 3.72Å; Y832-A847 HydrophobicContact CE2-CB 3.46Å; Y832-A847 VanDerWaalsContact CE2-CB 3.46Å; Y832-V850 HydrophobicContact CD2-CG2 4.08Å; Y832-V850 HydrophobicContact CE2-CG2 4.18Å; Y832-V852 HydrophobicContact CE2-CG2 4.4Å; Y832-L856 HydrophobicContact CD1-CD1 4.28Å; Y832-L856 HydrophobicContact CE1-CD1 4.42Å
833	R	95.6	Very high	92.7	Very high	72 Å²	72	48.6 Å²	48.6	27%	0.272	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.5	161.3	-161.8	-174.3	-58.3	-72.7	-6.3	110.3	F824 E825 I827 G843	F824-R833 HydrophobicContact CD2-CG 4.39Å; F824-R833 PolarHBondContact N-O 2.99Å; E825-R833 HydrophobicContact CG-CB 3.61Å; E825-R833 PolarHBondContact O-N 3.44Å; E825-R833 IonicContact OE1-CZ 2.61Å; E825-R833 VanDerWaalsContact OE1-CZ 3.31Å; E825-R833 IonicContact OE1-NE 3.68Å; E825-R833 PolarHBondContact OE1-NE 2.89Å; E825-R833 IonicContact OE1-NH2 3.26Å; E825-R833 PolarHBondContact OE1-NH2 3.29Å; I827-R833 HydrophobicContact CD1-CB 4.24Å; I827-R833 HydrophobicContact CG1-CB 4.39Å; R833-G843 WeakPolarHBondContact CA-O 3.26Å; R833-G843 VanDerWaalsContact CG-O 3.31Å; R833-G843 WeakPolarHBondContact CG-O 3.41Å
834	G	95.3	Very high	92.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-176.7	178.4	0	0	0	0	0	115.9	Y822 F824 R842 G843	Y822-G834 CarbonylContact O-C 3.6Å; Y822-G834 WeakPolarHBondContact O-CA 3.26Å; F824-G834 VanDerWaalsContact CD2-C 3.48Å; F824-G834 VanDerWaalsContact CD2-CA 3.47Å; F824-G834 VanDerWaalsContact CE2-C 3.43Å; G834-R842 VanDerWaalsContact O-CA 3.3Å; G834-R842 WeakPolarHBondContact O-CA 3.15Å; G834-G843 PolarHBondContact N-O 3.09Å; G834-G843 VanDerWaalsContact N-O 3.12Å; G834-G843 PolarHBondContact O-N 2.96Å
835	E	95	Very high	92.9	Very high	5 Å²	5	49.2 Å²	49.2	2%	0.023	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.7	170.7	178.4	169.1	136.2	0	0	109.3	K733 Y822 F824 A837 N841 R842	K733-E835 IonicContact NZ-OE1 2.7Å; K733-E835 PolarHBondContact NZ-OE1 3.43Å; K733-E835 IonicContact NZ-OE2 2.74Å; Y822-E835 PolarHBondContact N-O 3.15Å; Y822-E835 PolarHBondContact O-N 2.86Å; F824-E835 HydrophobicContact CE2-CB 3.78Å; F824-E835 HydrophobicContact CZ-CB 3.65Å; E835-A837 PolarHBondContact O-N 3.31Å; E835-N841 CarbonylContact C-O 3.54Å; E835-N841 WeakPolarHBondContact CA-O 3.22Å; E835-R842 HydrophobicContact CB-CG 4.04Å; E835-R842 HydrophobicContact CG-CG 4.21Å; E835-R842 IonicContact OE2-CZ 2.97Å; E835-R842 IonicContact OE2-NE 2.93Å; E835-R842 PolarHBondContact OE2-NE 2.79Å; E835-R842 IonicContact OE2-NH2 2.69Å; E835-R842 PolarHBondContact OE2-NH2 3.5Å
836	S	95	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	125.8	173.4	153.8	0	0	0	0	109.8	E819 S838 T839 G840 N841	E819-S836 WeakPolarHBondContact OE1-CB 3.22Å; E819-S836 PolarHBondContact OE1-OG 3.26Å; S836-S838 PolarHBondContact O-N 2.81Å; S836-S838 PolarHBondContact OG-N 2.72Å; S836-S838 VanDerWaalsContact OG-N 3.16Å; S836-S838 PolarHBondContact OG-OG 3.13Å; S836-T839 VanDerWaalsContact CB-OG1 3.23Å; S836-T839 WeakPolarHBondContact CB-OG1 3.41Å; S836-T839 PolarHBondContact OG-N 3.12Å; S836-T839 PolarHBondContact OG-OG1 3.26Å; S836-G840 WeakPolarHBondContact O-CA 3.38Å; S836-G840 PolarHBondContact O-N 3.17Å; S836-N841 PolarHBondContact N-O 2.67Å
837	A	92.3	Very high	93.1	Very high	12 Å²	12	45 Å²	45	10%	0.099	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.1	175.5	0	0	0	0	0	112.8	Y644 I820 Y822 E835	Y644-A837 WeakPolarHBondContact CD1-O 3.44Å; Y644-A837 WeakPolarHBondContact CD2-O 3.13Å; Y644-A837 HydrophobicContact CE1-CB 4.24Å; Y644-A837 WeakPolarHBondContact CE1-O 3.3Å; Y644-A837 WeakPolarHBondContact CE2-O 3.4Å; I820-A837 HydrophobicContact CB-CB 4.1Å; I820-A837 HydrophobicContact CG2-CB 4.26Å; I820-A837 WeakPolarHBondContact O-CB 3.38Å; I820-A837 PolarHBondContact O-N 2.67Å; Y822-A837 HydrophobicContact CD2-CB 4.04Å; Y822-A837 HydrophobicContact CE2-CB 3.58Å; E835-A837 PolarHBondContact O-N 3.31Å
838	S	89.7	Confident	93.3	Very high	74 Å²	74	44.6 Å²	44.6	52%	0.517	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-38.4	177.4	84.5	0	0	0	0	112.8	E819 S836	E819-S838 WeakPolarHBondContact OE1-CB 3.28Å; E819-S838 PolarHBondContact OE1-OG 2.95Å; S836-S838 PolarHBondContact O-N 2.81Å; S836-S838 PolarHBondContact OG-N 2.72Å; S836-S838 VanDerWaalsContact OG-N 3.16Å; S836-S838 PolarHBondContact OG-OG 3.13Å
839	T	90.8	Very high	93.6	Very high	62 Å²	62	42.7 Å²	42.7	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-30.5	-175.4	59	0	0	0	0	113.6	T640 S836 N841	T640-T839 PolarHBondContact OG1-O 2.89Å; S836-T839 VanDerWaalsContact CB-OG1 3.23Å; S836-T839 WeakPolarHBondContact CB-OG1 3.41Å; S836-T839 PolarHBondContact OG-N 3.12Å; S836-T839 PolarHBondContact OG-OG1 3.26Å; T839-N841 VanDerWaalsContact OG1-CB 3.29Å; T839-N841 WeakPolarHBondContact OG1-CB 3.5Å; T839-N841 PolarHBondContact OG1-N 2.79Å
840	G	90.6	Very high	94.1	Very high	21 Å²	21	37.3 Å²	37.3	22%	0.216	20%	0.198	C	C	.	.			trans	78.4	2.8	-163.3	0	0	0	0	0	114.1	S836	S836-G840 WeakPolarHBondContact O-CA 3.38Å; S836-G840 PolarHBondContact O-N 3.17Å
841	N	92.8	Very high	94.3	Very high	84 Å²	84	37.8 Å²	37.8	45%	0.449	20%	0.198	S	C	.	.			trans	-64.8	152.5	173.1	-70.5	2.1	0	0	0	110.5	L813 E835 S836 T839	L813-N841 HydrophobicContact CD1-CB 3.64Å; E835-N841 CarbonylContact C-O 3.54Å; E835-N841 WeakPolarHBondContact CA-O 3.22Å; S836-N841 PolarHBondContact N-O 2.67Å; T839-N841 VanDerWaalsContact OG1-CB 3.29Å; T839-N841 WeakPolarHBondContact OG1-CB 3.5Å; T839-N841 PolarHBondContact OG1-N 2.79Å
842	R	94.2	Very high	94.4	Very high	95 Å²	95	38 Å²	38	36%	0.358	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.5	-178.4	-61.2	-178.1	176.2	-178.8	-0.7	111	E766 F824 G834 E835	E766-R842 IonicContact OE1-CZ 3.17Å; E766-R842 VanDerWaalsContact OE1-CZ 3.26Å; E766-R842 IonicContact OE1-NH1 3.33Å; E766-R842 PolarHBondContact OE1-NH1 3.39Å; E766-R842 IonicContact OE1-NH2 3.4Å; E766-R842 PolarHBondContact OE1-NH2 3.16Å; E766-R842 IonicContact OE2-CZ 3.85Å; E766-R842 IonicContact OE2-NH1 3.71Å; E766-R842 IonicContact OE2-NH2 2.72Å; E766-R842 PolarHBondContact OE2-NH2 3.42Å; F824-R842 HydrophobicContact CE2-CB 4.5Å; F824-R842 HydrophobicContact CE2-CG 3.97Å; F824-R842 HydrophobicContact CZ-CG 4.47Å; G834-R842 VanDerWaalsContact O-CA 3.3Å; G834-R842 WeakPolarHBondContact O-CA 3.15Å; E835-R842 HydrophobicContact CB-CG 4.04Å; E835-R842 HydrophobicContact CG-CG 4.21Å; E835-R842 IonicContact OE2-CZ 2.97Å; E835-R842 IonicContact OE2-NE 2.93Å; E835-R842 PolarHBondContact OE2-NE 2.79Å; E835-R842 IonicContact OE2-NH2 2.69Å; E835-R842 PolarHBondContact OE2-NH2 3.5Å
843	G	95.2	Very high	94.4	Very high	4 Å²	4	39.4 Å²	39.4	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-174.4	179.1	0	0	0	0	0	111.8	E811 R833 G834	E811-G843 CarbonylContact O-C 3.48Å; E811-G843 WeakPolarHBondContact O-CA 3.35Å; R833-G843 WeakPolarHBondContact CA-O 3.26Å; R833-G843 VanDerWaalsContact CG-O 3.31Å; R833-G843 WeakPolarHBondContact CG-O 3.41Å; G834-G843 PolarHBondContact N-O 3.09Å; G834-G843 VanDerWaalsContact N-O 3.12Å; G834-G843 PolarHBondContact O-N 2.96Å
844	M	96.1	Very high	94.3	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	149.7	173.9	71	-178.5	79.3	0	0	112.1	E811 D812 L813 I827 W831 Y832	E811-M844 HydrophobicContact CB-CE 4.05Å; E811-M844 PolarHBondContact O-N 3.13Å; D812-M844 CarbonylContact C-O 3.49Å; D812-M844 WeakPolarHBondContact CA-O 3.41Å; L813-M844 PolarHBondContact N-O 3.27Å; I827-M844 HydrophobicContact CD1-CB 3.54Å; I827-M844 HydrophobicContact CD1-CE 4.34Å; I827-M844 HydrophobicContact CD1-SD 4.26Å; W831-M844 HydrophobicContact CE3-CB 4.09Å; W831-M844 HydrophobicContact CE3-CG 3.8Å; W831-M844 HydrophobicContact CE3-SD 4.14Å; W831-M844 HydrophobicContact CZ3-CG 3.98Å; W831-M844 HydrophobicContact CZ3-SD 4.46Å; Y832-M844 CarbonylContact O-C 3.59Å; Y832-M844 WeakPolarHBondContact O-CA 3.39Å
845	F	96.6	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	155.8	177.1	55.8	-89	0	0	0	111	V799 F805 L813 L815 V821 L823 W831 Y832 A847 V850	V799-F845 HydrophobicContact CG2-CE2 3.9Å; V799-F845 HydrophobicContact CG2-CZ 3.9Å; F805-F845 HydrophobicContact CD1-CB 4.18Å; F805-F845 HydrophobicContact CE1-CB 4.31Å; L813-F845 HydrophobicContact CB-CD1 4.16Å; L813-F845 HydrophobicContact CD2-CD1 4Å; L813-F845 HydrophobicContact CD2-CE1 4.17Å; L815-F845 HydrophobicContact CD1-CB 3.9Å; L815-F845 HydrophobicContact CD1-CD2 3.96Å; L815-F845 HydrophobicContact CD1-CG 4.07Å; L815-F845 HydrophobicContact CD2-CB 4.35Å; L815-F845 HydrophobicContact CD2-CD1 4.43Å; L815-F845 HydrophobicContact CD2-CG 4.17Å; L815-F845 HydrophobicContact CG-CB 4.18Å; L815-F845 HydrophobicContact CG-CG 4.45Å; V821-F845 HydrophobicContact CB-CZ 4.36Å; V821-F845 HydrophobicContact CG1-CE1 3.61Å; V821-F845 HydrophobicContact CG1-CZ 3.83Å; L823-F845 HydrophobicContact CD2-CZ 3.81Å; W831-F845 WeakPolarHBondContact CA-O 3.22Å; Y832-F845 HydrophobicContact CD2-CE2 4.08Å; Y832-F845 HydrophobicContact CG-CE2 4.37Å; Y832-F845 PolarHBondContact N-O 3.42Å; Y832-F845 PolarHBondContact O-N 2.94Å; F845-A847 PolarHBondContact O-N 2.97Å; F845-V850 HydrophobicContact CD2-CG1 3.71Å; F845-V850 HydrophobicContact CE2-CB 4.47Å; F845-V850 HydrophobicContact CE2-CG1 3.65Å; F845-V850 HydrophobicContact CE2-CG2 4.08Å
846	P	95.1	Very high	93.7	Very high	11 Å²	11	45 Å²	45	7%	0.071	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.6	-176.1	-19.7	32.3	0	0	0	112.6	F805 N830 W831 T848 F849	F805-P846 HydrophobicContact CD2-CG 4.12Å; F805-P846 HydrophobicContact CE2-CG 3.82Å; F805-P846 HydrophobicContact CZ-CG 4.12Å; N830-P846 CarbonylContact O-C 3.53Å; N830-P846 VanDerWaalsContact O-CA 3.26Å; N830-P846 WeakPolarHBondContact O-CA 3.34Å; W831-P846 HydrophobicContact CE3-CG 4.36Å; W831-P846 HydrophobicContact CH2-CG 3.92Å; W831-P846 HydrophobicContact CZ2-CG 4.33Å; W831-P846 HydrophobicContact CZ3-CG 3.94Å; P846-T848 PolarHBondContact O-N 3.24Å; P846-F849 HydrophobicContact CB-CB 4.38Å; P846-F849 HydrophobicContact CB-CD2 3.72Å; P846-F849 HydrophobicContact CB-CE2 4.38Å; P846-F849 HydrophobicContact CB-CG 4.29Å; P846-F849 HydrophobicContact CG-CD2 3.98Å; P846-F849 HydrophobicContact CG-CE2 4.35Å; P846-F849 HydrophobicContact CG-CG 4.36Å; P846-F849 PolarHBondContact O-N 2.83Å
847	A	94.5	Very high	93.7	Very high	19 Å²	19	47.3 Å²	47.3	16%	0.157	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58.6	-28.5	173.9	0	0	0	0	0	112.6	N830 Y832 F845 F849 V850	N830-A847 PolarHBondContact O-N 3.39Å; Y832-A847 HydrophobicContact CD2-CB 3.72Å; Y832-A847 HydrophobicContact CE2-CB 3.46Å; Y832-A847 VanDerWaalsContact CE2-CB 3.46Å; F845-A847 PolarHBondContact O-N 2.97Å; A847-F849 VanDerWaalsContact C-N 3.26Å; A847-F849 PolarHBondContact O-N 2.74Å; A847-V850 WeakPolarHBondContact O-CG2 3.45Å
848	T	94.5	Very high	93.7	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.331	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-75.4	-8.6	176.5	53.3	0	0	0	0	114.4	P846	P846-T848 PolarHBondContact O-N 3.24Å
849	F	96.1	Very high	94	Very high	39 Å²	39	47.8 Å²	47.8	17%	0.171	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-94.8	-0.3	178.3	-83.5	-122.7	0	0	0	113.2	L802 Y803 K804 F805 L815 P846 A847	L802-F849 PolarHBondContact N-O 3.15Å; Y803-F849 HydrophobicContact CD2-CG 4.45Å; Y803-F849 PolarHBondContact N-O 2.8Å; K804-F849 WeakPolarHBondContact O-CE1 3.18Å; F805-F849 HydrophobicContact CB-CD1 3.84Å; F805-F849 HydrophobicContact CB-CE1 4.23Å; F805-F849 HydrophobicContact CD2-CD1 4.26Å; F805-F849 HydrophobicContact CD2-CE1 4.1Å; F805-F849 HydrophobicContact CG-CD1 4.42Å; L815-F849 HydrophobicContact CD1-CB 4.23Å; P846-F849 HydrophobicContact CB-CB 4.38Å; P846-F849 HydrophobicContact CB-CD2 3.72Å; P846-F849 HydrophobicContact CB-CE2 4.38Å; P846-F849 HydrophobicContact CB-CG 4.29Å; P846-F849 HydrophobicContact CG-CD2 3.98Å; P846-F849 HydrophobicContact CG-CE2 4.35Å; P846-F849 HydrophobicContact CG-CG 4.36Å; P846-F849 PolarHBondContact O-N 2.83Å; A847-F849 VanDerWaalsContact C-N 3.26Å; A847-F849 PolarHBondContact O-N 2.74Å
850	V	96.3	Very high	94.1	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161	-171	-54.8	0	0	0	0	113.4	V799 K800 L815 Y832 F845 A847	V799-V850 HydrophobicContact CB-CB 3.91Å; V799-V850 HydrophobicContact CB-CG2 3.94Å; V799-V850 HydrophobicContact CG1-CB 4.48Å; V799-V850 HydrophobicContact CG1-CG2 3.96Å; V799-V850 HydrophobicContact CG2-CB 3.95Å; V799-V850 HydrophobicContact CG2-CG1 4.02Å; V799-V850 HydrophobicContact CG2-CG2 4.08Å; K800-V850 CarbonylContact O-C 3.47Å; K800-V850 VanDerWaalsContact O-CA 3.29Å; K800-V850 WeakPolarHBondContact O-CA 3.35Å; L815-V850 HydrophobicContact CD1-CG1 3.75Å; Y832-V850 HydrophobicContact CD2-CG2 4.08Å; Y832-V850 HydrophobicContact CE2-CG2 4.18Å; F845-V850 HydrophobicContact CD2-CG1 3.71Å; F845-V850 HydrophobicContact CE2-CB 4.47Å; F845-V850 HydrophobicContact CE2-CG1 3.65Å; F845-V850 HydrophobicContact CE2-CG2 4.08Å; A847-V850 WeakPolarHBondContact O-CG2 3.45Å
851	E	96.3	Very high	94.4	Very high	89 Å²	89	48.6 Å²	48.6	42%	0.416	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.7	172.7	171.7	177.5	-138.6	0	0	108.6	V799 K800 L802 I853	V799-E851 CarbonylContact C-O 3.55Å; V799-E851 WeakPolarHBondContact CA-O 3.46Å; V799-E851 WeakPolarHBondContact CB-O 3.41Å; K800-E851 PolarHBondContact N-O 2.84Å; K800-E851 IonicContact NZ-OE2 2.63Å; K800-E851 PolarHBondContact NZ-OE2 3.2Å; K800-E851 PolarHBondContact O-N 3Å; L802-E851 HydrophobicContact CD1-CB 4.11Å; L802-E851 HydrophobicContact CD2-CB 3.88Å; L802-E851 HydrophobicContact CG-CB 3.95Å; E851-I853 PolarHBondContact O-N 3.25Å
852	V	95.2	Very high	94.5	Very high	66 Å²	66	46.2 Å²	46.2	40%	0.4	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109.4	178.6	-178	0	0	0	0	109.9	V799 Y832 P855	V799-V852 HydrophobicContact CG1-CB 4.47Å; V799-V852 HydrophobicContact CG1-CG2 4.04Å; Y832-V852 HydrophobicContact CE2-CG2 4.4Å; V852-P855 HydrophobicContact CG1-CB 4.18Å
853	I	95.3	Very high	94.5	Very high	77 Å²	77	42.7 Å²	42.7	40%	0.395	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-45.1	173	-63.6	176	0	0	0	109.8	R798 K800 I820 E851	R798-I853 HydrophobicContact CG-CB 4.15Å; R798-I853 HydrophobicContact CG-CG2 4.37Å; R798-I853 PolarHBondContact O-N 3.03Å; R798-I853 VanDerWaalsContact O-N 3.08Å; K800-I853 HydrophobicContact CB-CD1 3.81Å; K800-I853 HydrophobicContact CB-CG1 4.25Å; I820-I853 HydrophobicContact CD1-CD1 3.79Å; E851-I853 PolarHBondContact O-N 3.25Å
854	K	93.3	Very high	94.4	Very high	77 Å²	77	45.7 Å²	45.7	34%	0.335	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	124.8	171.8	-167.8	174.6	-179.1	-179.6	0	109.1	A795 R798	A795-K854 WeakPolarHBondContact O-CD 3.31Å; A795-K854 WeakPolarHBondContact O-CE 3.43Å; A795-K854 PolarHBondContact O-NZ 3.3Å; R798-K854 HydrophobicContact CG-CB 4.46Å; R798-K854 PolarHBondContact N-O 3.36Å; R798-K854 PolarHBondContact O-N 3.36Å; R798-K854 VanDerWaalsContact O-O 3.13Å
855	P	92	Very high	94.3	Very high	77 Å²	77	46.9 Å²	46.9	50%	0.5	26%	0.256	S	S	.	.			trans	-65.3	167.6	178.6	29.5	-36.2	0	0	0	111.8	P797 V852	P797-P855 VanDerWaalsContact CB-O 3.28Å; P797-P855 WeakPolarHBondContact CB-O 3.15Å; P797-P855 WeakPolarHBondContact CG-O 3.42Å; V852-P855 HydrophobicContact CG1-CB 4.18Å
856	L	86.5	Confident	94.1	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.215	28%	0.279	C	S	.	.			trans	-64.9	0	163	-78	158.6	0	0	0	111	T169 F769 P797 L823 F824 A826 Y832	T169-L856 HydrophobicContact CG2-CB 4.32Å; F769-L856 HydrophobicContact CD1-CD2 4.06Å; F769-L856 HydrophobicContact CE1-CD2 4.11Å; P797-L856 HydrophobicContact CB-CD2 4.05Å; P797-L856 HydrophobicContact CB-CG 4.35Å; P797-L856 HydrophobicContact CG-CD2 4.47Å; L823-L856 HydrophobicContact CB-CD1 4.12Å; L823-L856 HydrophobicContact CB-CD2 3.65Å; L823-L856 HydrophobicContact CB-CG 3.69Å; L823-L856 HydrophobicContact CD1-CD1 4.06Å; L823-L856 HydrophobicContact CD1-CG 3.79Å; L823-L856 HydrophobicContact CG-CG 4.4Å; F824-L856 WeakPolarHBondContact O-CD2 3.49Å; A826-L856 HydrophobicContact CB-CD1 4.21Å; Y832-L856 HydrophobicContact CD1-CD1 4.28Å; Y832-L856 HydrophobicContact CE1-CD1 4.42Å

Retrieved 856 of 856 residues in 642.5 ms (Link to these results)

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