G4V6X4_SCHMA Loading...

Neurexin-4

AlphaFold DB , UniProt , Accession G4V6X4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 859 aa.

						>G4V6X4_SCHMA|G4V6X4
MLDSFQINLEKSDNTIQTFKNTSQKCKVCPSSEKTSMNNGIEMTTIKDKLKTLSIMDMFRRQQSLANIHNSTSLLQTTNTRNDDNVHLYSITFKEADCYLHHPSMHLYEIFNVQFSFRTSQEDGLLLFNSNKQGIDFIMFELIKSYLHFSFDMGSGSQHYALTMYKVTDSKWHHVELSRIDLENNTLLLYIDRYTFDEQSIMIPVINGDISRNFNLNDPLFIGGISQYTFLKWREKLNSYHGFQGCFGNFSINGLPAYNLLDKAKQKYISNWTVPVCYDQIIPGCFERPNYALNCNEIERYPEHYTMKGDERKENLNSRWSKPYCLNDGLCLHSWTTNKCACELTSFEGDRCTRAGTTFLYGFNQDQMINITVNNWTLTTISETIGYLRLIYKDHLRNTRQDEFILGIQIIPMKIDSKSNHSISTIATLLFITNLKQTGDFIHLFLESDRVKLTYDMGGGIVHIIGPNLSVNDGFYHRIRGYRVDHRIILEVDNIRQMYEVNRTYGKSFNNQEVIWIGHAPILNKTDIFHGHMTGVYYNGLLLNDLAAGLSYLPFIQVERFGKVEYVPTFQPLLAISRSVDELLSFESKNVDIQSSSNIPADSATTYISQDDYNNKDVITNILERSSQSSQITNSILGFSLSTFKNYTIISNETSNNNNHTHNTNQYQMNRKKGNLYIQLKGVNKQINIWLLACLTCISLVLFIFLTFLAYKCHYTKYLNNHRSYPRKITLDKQHHQCSSRKSVDTNHSPTDHSLKLNDMNSNIVSKYFEDYTDQSVSSLNYTPTLSCSQRNPSVSNIKPTSLIFVNESVNLPINSSMTENKCIIHNNPISHICHINVNKVLIDDSEKCTLSPIQVSFD
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	27.8	Very low	235 Å²	235	168.9 Å²	168.9	100%	1.158	85%	0.847	S	S	*	*				0	120.1	0	-87	-172.4	172.8	0	0	105
2	L	28.5	Very low	27.8	Very low	160 Å²	160	164.2 Å²	164.2	84%	0.838	84%	0.841	S	S	*	*			trans	63.6	133.7	-136.9	-53	150.3	0	0	0	109.4
3	D	29.1	Very low	27.6	Very low	152 Å²	152	163.2 Å²	163.2	81%	0.813	84%	0.839	S	S	*	*			cis	-114.9	144.1	-6.8	-72.9	-51.5	0	0	0	111.8
4	S	23.9	Very low	27.7	Very low	106 Å²	106	162.4 Å²	162.4	74%	0.741	84%	0.837	S	S	*	*			trans	-159.9	49.3	179.4	68.6	0	0	0	0	113.7
5	F	27.5	Very low	27.8	Very low	186 Å²	186	161.4 Å²	161.4	82%	0.816	84%	0.842	S	S	*	*			trans	-154.5	104.3	169.5	-103.5	-71.5	0	0	0	112.6	I7	F5-I7 HydrophobicContact CD1-CD1 4.13Å; F5-I7 HydrophobicContact CD1-CG1 4.48Å; F5-I7 HydrophobicContact CE1-CD1 3.82Å
6	Q	29.3	Very low	27.6	Very low	189 Å²	189	160.8 Å²	160.8	88%	0.883	84%	0.838	S	S	*	*			trans	-149.7	126.9	142.2	-143.4	166.6	3.3	0	0	109.4
7	I	29.3	Very low	27.6	Very low	120 Å²	120	161.3 Å²	161.3	62%	0.615	84%	0.835	S	S	*	*			trans	-117.3	141.6	-173	-70.5	174.7	0	0	0	108.9	F5	F5-I7 HydrophobicContact CD1-CD1 4.13Å; F5-I7 HydrophobicContact CD1-CG1 4.48Å; F5-I7 HydrophobicContact CE1-CD1 3.82Å
8	N	25.3	Very low	27.6	Very low	155 Å²	155	158.8 Å²	158.8	83%	0.829	83%	0.828	S	S	*	*			trans	4.1	112.8	164	-55.8	-16.5	0	0	0	117.2
9	L	26.5	Very low	27.6	Very low	166 Å²	166	161.2 Å²	161.2	87%	0.869	83%	0.832	S	S	*	*			trans	-117.1	70.6	163.6	-85.9	169	0	0	0	110.9
10	E	24.5	Very low	27.7	Very low	185 Å²	185	162.2 Å²	162.2	86%	0.864	83%	0.829	S	S	*	*			trans	-134.6	91.2	160.6	-80.8	-162.3	148.7	0	0	109.9
11	K	29.7	Very low	27.6	Very low	204 Å²	204	161.4 Å²	161.4	89%	0.887	83%	0.827	S	S	*	*			trans	-173.2	151.1	148.7	-108.1	154.2	-172.6	172.1	0	112.7
12	S	28	Very low	27.6	Very low	112 Å²	112	157.5 Å²	157.5	78%	0.783	82%	0.817	S	S	*	*			trans	51.6	87.2	172.6	59.8	0	0	0	0	117.2
13	D	25.7	Very low	27.4	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	82%	0.816	S	S	*	*				-57.8	166.4	128	-94.5	-51.3	0	0	0	111.2
14	N	28.5	Very low	27.6	Very low	152 Å²	152	157.3 Å²	157.3	81%	0.813	82%	0.82	S	S	*	*			trans	74.7	75.8	177.6	-55	-51.3	0	0	0	117.4
15	T	28.9	Very low	28	Very low	148 Å²	148	161.5 Å²	161.5	91%	0.908	83%	0.825	S	S	*	*				-150.4	142.8	112.1	-14.2	0	0	0	0	112.3
16	I	25.4	Very low	27.9	Very low	152 Å²	152	158.4 Å²	158.4	78%	0.779	83%	0.825	S	S	*	*			trans	-105.5	158.5	178.2	-81.6	174.1	0	0	0	109.6
17	Q	27.6	Very low	28	Very low	169 Å²	169	159.4 Å²	159.4	79%	0.79	83%	0.826	S	S	*	*			trans	87.2	140.8	165.7	-88	166.2	22.5	0	0	120
18	T	27.6	Very low	28.4	Very low	116 Å²	116	159.6 Å²	159.6	71%	0.712	83%	0.833	S	S	*	*			trans	53.8	111.4	157.7	51.6	0	0	0	0	119.1
19	F	27.7	Very low	28.5	Very low	205 Å²	205	158.3 Å²	158.3	90%	0.899	83%	0.834	S	S	*	*				-152.4	153.5	89.2	-114.5	-83.5	0	0	0	112
20	K	28.7	Very low	29.2	Very low	180 Å²	180	155.9 Å²	155.9	78%	0.783	83%	0.828	S	S	*	*			trans	-106	150.7	174.5	-88	-177.6	174.9	176.6	0	110.6
21	N	27	Very low	29.6	Very low	146 Å²	146	151.9 Å²	151.9	78%	0.781	82%	0.821	S	S	*	*			trans	50.2	113.9	152.2	-61.8	3.4	0	0	0	119.2
22	T	30.6	Very low	29.8	Very low	154 Å²	154	147.6 Å²	147.6	95%	0.945	82%	0.816	S	S	*	*				-152.2	153	126.5	7.3	0	0	0	0	109.2
23	S	25.6	Very low	30.1	Very low	117 Å²	117	151.3 Å²	151.3	82%	0.818	82%	0.821	S	S	*	*			trans	-136.3	140	-169.2	56.3	0	0	0	0	112.5
24	Q	32.8	Very low	30.2	Very low	190 Å²	190	153.4 Å²	153.4	89%	0.888	82%	0.824	S	S	*	*			trans	-149	94.7	175	-117.2	173.6	5.6	0	0	115.3
25	K	31.7	Very low	30.3	Very low	195 Å²	195	153.4 Å²	153.4	85%	0.848	83%	0.829	S	S	*	*			trans	40.5	99.2	139.8	-64.5	-177.9	176.9	177.8	0	121.8
26	C	25.9	Very low	30.2	Very low	121 Å²	121	151.7 Å²	151.7	82%	0.818	82%	0.823	S	S	*	*				46.2	120.9	112.1	-52.1	0	0	0	0	122.8
27	K	31.1	Very low	30.5	Very low	209 Å²	209	153.5 Å²	153.5	91%	0.909	83%	0.831	S	S	*	*			trans	172.1	141.9	132.7	-97.9	167.8	-177.2	-175.9	0	107.6
28	V	37.3	Very low	30.6	Very low	125 Å²	125	152.5 Å²	152.5	76%	0.758	83%	0.831	S	S	*	*			cis	-143	152.5	15.3	177.6	0	0	0	0	109.9
29	C	27.2	Very low	30.8	Very low	128 Å²	128	155.2 Å²	155.2	87%	0.865	84%	0.841	S	S	*	*			trans	-138.4	146.3	162	-61.2	0	0	0	0	111.1
30	P	41.9	Very low	30.7	Very low	114 Å²	114	149 Å²	149	74%	0.74	83%	0.834	S	S	*	*				-141	165.5	129	38.7	-26.6	0	0	0	112.1
31	S	32.6	Very low	30.8	Very low	102 Å²	102	148.4 Å²	148.4	71%	0.713	84%	0.838	S	S	*	*			cis	-171.8	173.9	-19.4	52.9	0	0	0	0	108.8
32	S	34.6	Very low	30.9	Very low	113 Å²	113	149.5 Å²	149.5	79%	0.79	84%	0.838	S	S	*	*			trans	71	143.8	-177.8	78.5	0	0	0	0	114.9
33	E	32.9	Very low	30.5	Very low	190 Å²	190	151.3 Å²	151.3	89%	0.888	84%	0.838	S	S	*	*			cis	-140.2	170.8	-2.7	-149.4	162.8	-138.8	0	0	111.8
34	K	27.9	Very low	30.7	Very low	196 Å²	196	152 Å²	152	85%	0.852	84%	0.837	S	S	*	*			trans	-113.6	134.5	-175.5	-68.2	178.4	179.2	176.9	0	112.2
35	T	31.2	Very low	30.3	Very low	151 Å²	151	149.6 Å²	149.6	93%	0.926	84%	0.836	S	S	*	*			trans	-142.7	148.5	135.5	35.1	0	0	0	0	109.5
36	S	28.1	Very low	30.2	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	84%	0.837	S	S	*	*			trans	-142.5	137.1	-175.1	58	0	0	0	0	110.2
37	M	31.4	Very low	30.1	Very low	191 Å²	191	151.1 Å²	151.1	94%	0.941	84%	0.835	S	S	*	*			trans	-149	133.6	153.4	-127.5	171.3	-178.7	0	0	110.9
38	N	28.6	Very low	29.9	Very low	148 Å²	148	148.2 Å²	148.2	79%	0.791	83%	0.83	S	S	*	*			trans	-79.2	150.5	173.8	-68.9	-25	0	0	0	109.9
39	N	31.9	Very low	29.4	Very low	173 Å²	173	152.2 Å²	152.2	93%	0.925	84%	0.837	S	S	*	*				-158	138.2	119.3	-93.9	-24.5	0	0	0	108.8
40	G	26.4	Very low	29.4	Very low	73 Å²	73	154.6 Å²	154.6	75%	0.753	84%	0.84	S	S	*	*			trans	-115.7	146.5	178.3	0	0	0	0	0	110.9
41	I	30.3	Very low	28.6	Very low	168 Å²	168	158.5 Å²	158.5	86%	0.862	85%	0.845	S	S	*	*			trans	-129.8	154.8	166.4	-64.2	-176.7	0	0	0	107.7
42	E	28.4	Very low	28.4	Very low	169 Å²	169	160.1 Å²	160.1	79%	0.79	85%	0.851	S	S	*	*			trans	-66	152.5	-154.2	-62.7	154.1	111.6	0	0	116.5	T44	E42-T44 PolarHBondContact O-N 3.15Å
43	M	22.6	Very low	28.2	Very low	193 Å²	193	162.8 Å²	162.8	95%	0.951	86%	0.855	S	S	*	*			trans	-68.1	123.4	154.1	-77.3	-176.7	168.9	0	0	109.7
44	T	29.6	Very low	28.2	Very low	130 Å²	130	156.7 Å²	156.7	80%	0.798	83%	0.834	S	S	*	*			trans	-125.8	143.7	154.9	47.3	0	0	0	0	109.9	E42	E42-T44 PolarHBondContact O-N 3.15Å
45	T	24.8	Very low	28.8	Very low	141 Å²	141	153.4 Å²	153.4	87%	0.865	82%	0.824	S	S	*	*			trans	-92.7	118.8	-165.2	51	0	0	0	0	112.7
46	I	29.1	Very low	28.9	Very low	166 Å²	166	152.5 Å²	152.5	85%	0.851	81%	0.811	S	S	*	*			trans	-128.7	113.3	160.5	-66.5	-177.3	0	0	0	108.3
47	K	25.3	Very low	29.4	Very low	181 Å²	181	151 Å²	151	79%	0.787	79%	0.794	S	S	*	*			trans	-76.1	169.9	160.5	-76.7	-177.1	174.1	-179.5	0	109.2
48	D	26.1	Very low	29.7	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	78%	0.784	S	S	*	*			trans	73.6	65.1	166.3	-47.9	-30.9	0	0	0	116.8
49	K	27.1	Very low	30.2	Very low	210 Å²	210	147.4 Å²	147.4	91%	0.913	77%	0.771	S	S	*	*			trans	-163.5	81.8	140.3	-110.2	162.8	-173.4	177.6	0	112.9
50	L	26.6	Very low	30.5	Very low	178 Å²	178	147.1 Å²	147.1	93%	0.932	76%	0.757	S	S	*	*			trans	-137	63.4	165.8	-107.6	165.4	0	0	0	110.2
51	K	25.6	Very low	31.1	Very low	196 Å²	196	152.8 Å²	152.8	85%	0.852	76%	0.755	S	S	*	*			trans	-124.9	153	162.1	-94.1	-173.1	171.9	-176	0	107.8
52	T	28.9	Very low	31.5	Very low	135 Å²	135	150.8 Å²	150.8	83%	0.828	74%	0.742	S	S	*	*			trans	51.2	66.4	172.3	60.6	0	0	0	0	115.5
53	L	29.3	Very low	31.9	Very low	169 Å²	169	149.9 Å²	149.9	89%	0.885	74%	0.738	S	S	*	*			trans	-73.2	135.9	133.3	-120.4	76.9	0	0	0	106.6
54	S	34.2	Very low	32.4	Very low	62 Å²	62	143.9 Å²	143.9	43%	0.434	72%	0.715	S	S	.	*			trans	-89.1	139.4	-161.2	-168.4	0	0	0	0	113.5	M56 D57	S54-M56 PolarHBondContact O-N 2.88Å; S54-M56 VanDerWaalsContact O-N 3.15Å; S54-M56 WeakPolarHBondContact OG-CB 3.26Å; S54-M56 PolarHBondContact OG-N 2.99Å; S54-D57 PolarHBondContact O-N 3.04Å
55	I	39.2	Very low	32.6	Very low	128 Å²	128	143.2 Å²	143.2	66%	0.656	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	168.4	-67.3	169.9	0	0	0	111	D57 M58 F59	I55-D57 VanDerWaalsContact C-N 3.26Å; I55-D57 PolarHBondContact O-N 3.33Å; I55-M58 WeakPolarHBondContact O-CB 3.39Å; I55-M58 PolarHBondContact O-N 3.48Å; I55-M58 VanDerWaalsContact O-N 3.08Å; I55-F59 HydrophobicContact CG2-CD2 4.11Å; I55-F59 HydrophobicContact CG2-CE2 4.01Å; I55-F59 PolarHBondContact O-N 3.11Å
56	M	34	Very low	32.8	Very low	132 Å²	132	140.1 Å²	140.1	65%	0.65	70%	0.695	S	S	*	*	H	α-helix	trans	-59.6	-29.4	173.3	-69.5	-70.4	177.5	0	0	114.1	S54 M58 F59 R60	S54-M56 PolarHBondContact O-N 2.88Å; S54-M56 VanDerWaalsContact O-N 3.15Å; S54-M56 WeakPolarHBondContact OG-CB 3.26Å; S54-M56 PolarHBondContact OG-N 2.99Å; M56-M58 VanDerWaalsContact C-N 3.29Å; M56-M58 PolarHBondContact O-N 3.17Å; M56-F59 PolarHBondContact O-N 3.43Å; M56-R60 PolarHBondContact O-N 3.22Å
57	D	37.9	Very low	32.9	Very low	80 Å²	80	139 Å²	139	43%	0.428	69%	0.69	S	S	.	*	H	α-helix	trans	-77.5	-16.4	177.9	-69.5	-48.7	0	0	0	112.5	S54 I55 R60	S54-D57 PolarHBondContact O-N 3.04Å; I55-D57 VanDerWaalsContact C-N 3.26Å; I55-D57 PolarHBondContact O-N 3.33Å; D57-R60 IonicContact OD1-CZ 2.76Å; D57-R60 IonicContact OD1-NH1 3.66Å
58	M	38.6	Very low	33.2	Very low	145 Å²	145	135.7 Å²	135.7	71%	0.714	68%	0.68	S	S	*	*	H	α-helix	trans	-75.8	-48.3	167.8	-119.1	173.7	69.3	0	0	110.9	I55 M56 R60 R61 Q62	I55-M58 WeakPolarHBondContact O-CB 3.39Å; I55-M58 PolarHBondContact O-N 3.48Å; I55-M58 VanDerWaalsContact O-N 3.08Å; M56-M58 VanDerWaalsContact C-N 3.29Å; M56-M58 PolarHBondContact O-N 3.17Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 2.73Å; M58-R61 WeakPolarHBondContact O-CB 3.33Å; M58-R61 PolarHBondContact O-N 2.68Å; M58-Q62 PolarHBondContact O-N 3.01Å
59	F	38.5	Very low	33.4	Very low	119 Å²	119	136.5 Å²	136.5	52%	0.522	68%	0.679	S	S	.	*	H	α-helix	trans	-60.6	-36.7	176.2	-84	-77.6	0	0	0	113	I55 M56 R61 Q62 Q63	I55-F59 HydrophobicContact CG2-CD2 4.11Å; I55-F59 HydrophobicContact CG2-CE2 4.01Å; I55-F59 PolarHBondContact O-N 3.11Å; M56-F59 PolarHBondContact O-N 3.43Å; F59-R61 PolarHBondContact O-N 2.77Å; F59-Q62 PolarHBondContact O-N 3.2Å; F59-Q62 VanDerWaalsContact O-N 3.08Å; F59-Q63 PolarHBondContact O-N 2.99Å; F59-Q63 VanDerWaalsContact O-N 3.09Å
60	R	37.9	Very low	33.4	Very low	167 Å²	167	134.3 Å²	134.3	63%	0.63	68%	0.677	S	S	*	*	H	α-helix	trans	-62.6	-23.3	175.9	-158.4	179.2	-66.7	163.2	2.4	113.1	M56 D57 M58 S64	M56-R60 PolarHBondContact O-N 3.22Å; D57-R60 IonicContact OD1-CZ 2.76Å; D57-R60 IonicContact OD1-NH1 3.66Å; M58-R60 VanDerWaalsContact C-N 3.3Å; M58-R60 PolarHBondContact O-N 2.73Å; R60-S64 PolarHBondContact O-N 3.25Å
61	R	38.4	Very low	33.4	Very low	192 Å²	192	130.4 Å²	130.4	73%	0.725	67%	0.665	S	S	*	*	H	α-helix	trans	-80.3	-34.9	171.5	-73.5	-172.5	172.5	-159.7	-2.6	113.3	M58 F59 S64 L65	M58-R61 WeakPolarHBondContact O-CB 3.33Å; M58-R61 PolarHBondContact O-N 2.68Å; F59-R61 PolarHBondContact O-N 2.77Å; R61-S64 PolarHBondContact O-N 3.32Å; R61-S64 PolarHBondContact O-OG 2.96Å; R61-L65 PolarHBondContact O-N 2.99Å
62	Q	40.5	Very low	33.6	Very low	126 Å²	126	127 Å²	127	59%	0.589	66%	0.66	S	S	*	*	H	α-helix	trans	-64.4	-42.1	172.4	-80.4	179.5	-46.1	0	0	111.9	M58 F59 S64 L65	M58-Q62 PolarHBondContact O-N 3.01Å; F59-Q62 PolarHBondContact O-N 3.2Å; F59-Q62 VanDerWaalsContact O-N 3.08Å; Q62-S64 PolarHBondContact O-N 3.49Å; Q62-L65 PolarHBondContact O-N 2.9Å; Q62-L65 VanDerWaalsContact O-N 3.08Å
63	Q	36.6	Very low	33.4	Very low	149 Å²	149	126 Å²	126	70%	0.696	66%	0.659	S	S	*	*	H	α-helix	trans	-65.1	-24.3	174.5	-75.1	-176.9	-22.5	0	0	113.5	F59 L65	F59-Q63 PolarHBondContact O-N 2.99Å; F59-Q63 VanDerWaalsContact O-N 3.09Å; Q63-L65 VanDerWaalsContact C-N 3.32Å
64	S	33	Very low	33.3	Very low	68 Å²	68	125.6 Å²	125.6	48%	0.476	66%	0.657	S	S	.	*	H	α-helix	trans	-73.8	-20.1	173.2	72.6	0	0	0	0	114.2	R60 R61 Q62	R60-S64 PolarHBondContact O-N 3.25Å; R61-S64 PolarHBondContact O-N 3.32Å; R61-S64 PolarHBondContact O-OG 2.96Å; Q62-S64 PolarHBondContact O-N 3.49Å
65	L	32.5	Very low	33.1	Very low	116 Å²	116	130 Å²	130	61%	0.607	68%	0.675	S	S	*	*	H	α-helix	trans	-80.7	-27.2	176.6	-72.1	163.9	0	0	0	112.7	R61 Q62 Q63 N67 I68	R61-L65 PolarHBondContact O-N 2.99Å; Q62-L65 PolarHBondContact O-N 2.9Å; Q62-L65 VanDerWaalsContact O-N 3.08Å; Q63-L65 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 2.94Å; L65-N67 VanDerWaalsContact O-N 3.17Å; L65-I68 HydrophobicContact CD2-CD1 4.19Å; L65-I68 PolarHBondContact O-N 2.97Å
66	A	30.6	Very low	32.4	Very low	76 Å²	76	132.7 Å²	132.7	63%	0.628	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-19	176.9	0	0	0	0	0	113.9
67	N	29.9	Very low	32.2	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	5.1	179.5	-78.1	-36.4	0	0	0	114.4	L65	L65-N67 PolarHBondContact O-N 2.94Å; L65-N67 VanDerWaalsContact O-N 3.17Å
68	I	31.6	Very low	31.6	Very low	113 Å²	113	134 Å²	134	58%	0.579	70%	0.703	S	S	*	*			trans	-100.9	33.9	179.4	-39	-176.7	0	0	0	111.4	L65	L65-I68 HydrophobicContact CD2-CD1 4.19Å; L65-I68 PolarHBondContact O-N 2.97Å
69	H	31.1	Very low	31	Very low	164 Å²	164	134 Å²	134	76%	0.759	71%	0.706	S	S	*	*			trans	-106.8	-0	176.1	-117.5	-55.3	0	0	0	114.7
70	N	26.6	Very low	30.4	Very low	165 Å²	165	133.5 Å²	133.5	88%	0.882	71%	0.713	S	S	*	*	S	Bend	trans	-107.8	37.7	-175.8	-84.2	-20.3	0	0	0	114.2
71	S	26.1	Very low	29.8	Very low	95 Å²	95	137 Å²	137	66%	0.664	73%	0.726	S	S	*	*			trans	-162.5	52.6	176.2	49	0	0	0	0	116.3
72	T	30	Very low	29.4	Very low	124 Å²	124	132.9 Å²	132.9	76%	0.761	72%	0.719	S	S	*	*			trans	-137.7	35.5	175.4	-3.3	0	0	0	0	115	L74	T72-L74 PolarHBondContact O-N 3.46Å
73	S	25.5	Very low	29	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	73%	0.732	S	S	*	*			trans	-80.2	69.9	178.9	60.6	0	0	0	0	113.6
74	L	27.6	Very low	29	Very low	161 Å²	161	132.4 Å²	132.4	84%	0.843	73%	0.725	S	S	*	*			trans	-171.9	76.6	158.6	-110.2	157.7	0	0	0	113.7	T72	T72-L74 PolarHBondContact O-N 3.46Å
75	L	28.3	Very low	29.6	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	74%	0.741	S	S	*	*			trans	-151.3	85	155	-116.2	166.7	0	0	0	108.3	T77	L75-T77 PolarHBondContact O-N 3.05Å
76	Q	26	Very low	30.6	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	74%	0.741	S	S	*	*			trans	-85.9	57.2	-167.6	-161.4	172.4	8.8	0	0	112
77	T	28.7	Very low	32.3	Very low	101 Å²	101	134.3 Å²	134.3	62%	0.62	72%	0.722	S	S	*	*			trans	-70.8	131.6	166.1	47	0	0	0	0	109.5	L75 N79	L75-T77 PolarHBondContact O-N 3.05Å; T77-N79 VanDerWaalsContact C-N 3.33Å; T77-N79 PolarHBondContact O-N 2.86Å
78	T	25	Very low	34.6	Very low	139 Å²	139	132.1 Å²	132.1	85%	0.853	71%	0.709	S	S	*	*			trans	-75	79.7	-174.7	50.2	0	0	0	0	111.8	T80	T78-T80 PolarHBondContact O-N 3.2Å; T78-T80 VanDerWaalsContact O-N 3.15Å
79	N	25.9	Very low	37.6	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	70%	0.704	S	S	*	*			trans	-68.9	108.6	168.6	-75	12.1	0	0	0	109.3	T77	T77-N79 VanDerWaalsContact C-N 3.33Å; T77-N79 PolarHBondContact O-N 2.86Å
80	T	27.9	Very low	40.7	Very low	109 Å²	109	125.4 Å²	125.4	67%	0.669	67%	0.673	S	S	*	*			trans	-56.4	146.7	157.3	42.6	0	0	0	0	109.3	T78 N82	T78-T80 PolarHBondContact O-N 3.2Å; T78-T80 VanDerWaalsContact O-N 3.15Å; T80-N82 PolarHBondContact O-N 3.43Å; T80-N82 PolarHBondContact OG1-OD1 3.04Å
81	R	24.9	Very low	44	Very low	240 Å²	240	117.5 Å²	117.5	91%	0.906	63%	0.631	S	S	*	*			trans	-70.5	98.3	166.5	-74.2	-178.9	178.4	160	-3.3	108.3
82	N	28.6	Very low	47.3	Very low	105 Å²	105	113 Å²	113	56%	0.561	60%	0.6	S	S	*	*			trans	-90.6	123.4	156.3	-78.7	63.3	0	0	0	106.6	T80 D84	T80-N82 PolarHBondContact O-N 3.43Å; T80-N82 PolarHBondContact OG1-OD1 3.04Å; N82-D84 HydrophobicContact CB-CB 4.29Å; N82-D84 WeakPolarHBondContact CB-OD2 3.42Å; N82-D84 PolarHBondContact ND2-OD2 3.49Å; N82-D84 PolarHBondContact O-N 2.8Å
83	D	33	Very low	50.5	Low	163 Å²	163	107.1 Å²	107.1	87%	0.872	56%	0.563	S	S	*	*			trans	-74.6	7.9	169.4	-73	-53.9	0	0	0	111.8	N85	D83-N85 PolarHBondContact O-N 2.9Å
84	D	36.1	Very low	53.8	Low	103 Å²	103	103.5 Å²	103.5	55%	0.551	53%	0.533	S	S	*	.			trans	-77.7	85.9	180	-49.2	-57.5	0	0	0	111.4	N82 V86	N82-D84 HydrophobicContact CB-CB 4.29Å; N82-D84 WeakPolarHBondContact CB-OD2 3.42Å; N82-D84 PolarHBondContact ND2-OD2 3.49Å; N82-D84 PolarHBondContact O-N 2.8Å; D84-V86 HydrophobicContact CB-CG2 3.59Å; D84-V86 PolarHBondContact O-N 3.31Å
85	N	45	Very low	56.9	Low	150 Å²	150	97.6 Å²	97.6	80%	0.802	50%	0.502	S	S	*	.			trans	-66.2	71.4	150.5	-89.4	-25.5	0	0	0	108.6	D83 H87	D83-N85 PolarHBondContact O-N 2.9Å; N85-H87 PolarHBondContact O-CD2 3.12Å; N85-H87 PolarHBondContact O-N 3.49Å
86	V	53.9	Low	59.9	Low	101 Å²	101	90.5 Å²	90.5	61%	0.612	47%	0.465	S	S	*	.			trans	-61.5	105	-179.3	-176.3	0	0	0	0	108.6	D84 L88	D84-V86 HydrophobicContact CB-CG2 3.59Å; D84-V86 PolarHBondContact O-N 3.31Å; V86-L88 WeakPolarHBondContact O-CD1 3.46Å; V86-L88 PolarHBondContact O-N 3.17Å
87	H	66.6	Low	62.9	Low	48 Å²	48	85.3 Å²	85.3	22%	0.222	44%	0.443	C	S	.	.			trans	-53.4	108.5	-179.8	-69.5	-100	0	0	0	109.8	N85 Y89 S90 S116 W172	N85-H87 PolarHBondContact O-CD2 3.12Å; N85-H87 PolarHBondContact O-N 3.49Å; H87-Y89 PolarHBondContact O-N 3.08Å; H87-S90 WeakPolarHBondContact O-CB 3.41Å; H87-S90 PolarHBondContact O-N 3.27Å; H87-S90 PolarHBondContact O-OG 3.44Å; H87-S90 VanDerWaalsContact O-OG 3.07Å; H87-S116 WeakPolarHBondContact ND1-CB 3.16Å; H87-S116 PolarHBondContact ND1-OG 3.08Å; H87-W172 HydrophobicContact CB-CD2 4.37Å; H87-W172 HydrophobicContact CB-CE3 4.48Å; H87-W172 HydrophobicContact CB-CH2 4.02Å; H87-W172 HydrophobicContact CB-CZ2 3.88Å; H87-W172 HydrophobicContact CB-CZ3 4.33Å; H87-W172 AromaticContact CD2-CD1 3.51Å; H87-W172 AromaticContact CD2-CD2 3.66Å; H87-W172 AromaticContact CD2-CE2 3.63Å; H87-W172 AromaticContact CD2-CG 3.57Å; H87-W172 AromaticContact CD2-NE1 3.56Å; H87-W172 AromaticContact CE1-CG 3.8Å; H87-W172 AromaticContact CG-CD2 3.77Å; H87-W172 AromaticContact CG-CE2 3.83Å; H87-W172 WeakPolarHBondContact NE2-CB 3.5Å; H87-W172 AromaticContact NE2-CD1 3.55Å; H87-W172 AromaticContact NE2-CD2 3.87Å; H87-W172 AromaticContact NE2-CG 3.36Å
88	L	79.4	Confident	66.1	Low	95 Å²	95	80.7 Å²	80.7	50%	0.497	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	137.9	-162.9	-80.4	87.9	0	0	0	111.1	V86 S90 N249 A257	V86-L88 WeakPolarHBondContact O-CD1 3.46Å; V86-L88 PolarHBondContact O-N 3.17Å; L88-S90 PolarHBondContact O-N 3.42Å; L88-N249 PolarHBondContact O-N 3.09Å; L88-A257 HydrophobicContact CB-CB 4.43Å
89	Y	93.2	Very high	69.5	Low	120 Å²	120	75.4 Å²	75.4	47%	0.471	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.3	-179.7	-46.7	-76.2	0	0	0	113.7	H87 A257 Y258 N259	H87-Y89 PolarHBondContact O-N 3.08Å; Y89-A257 WeakPolarHBondContact CE2-O 3.36Å; Y89-Y258 VanDerWaalsContact CD2-C 3.49Å; Y89-N259 HydrophobicContact CD1-CB 3.73Å; Y89-N259 HydrophobicContact CE1-CB 4.42Å; Y89-N259 HydrophobicContact CG-CB 4.1Å
90	S	95.9	Very high	72.9	Confident	16 Å²	16	68.5 Å²	68.5	11%	0.112	34%	0.343	C	S	.	.			trans	-58.9	147.1	172.7	39.5	0	0	0	0	111.9	H87 L88 F247 G284	H87-S90 WeakPolarHBondContact O-CB 3.41Å; H87-S90 PolarHBondContact O-N 3.27Å; H87-S90 PolarHBondContact O-OG 3.44Å; H87-S90 VanDerWaalsContact O-OG 3.07Å; L88-S90 PolarHBondContact O-N 3.42Å; S90-F247 CarbonylContact C-O 3.41Å; S90-F247 VanDerWaalsContact CA-O 3.22Å; S90-F247 WeakPolarHBondContact CA-O 3.29Å; S90-G284 WeakPolarHBondContact O-CA 3.28Å; S90-G284 PolarHBondContact O-N 2.72Å
91	I	96.5	Very high	76.1	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.6	177.8	58.9	175.1	0	0	0	108.8	F93 L100 C246 F247 L260 L261 I282 G284	I91-F93 HydrophobicContact CD1-CE2 3.64Å; I91-F93 HydrophobicContact CD1-CZ 3.78Å; I91-F93 HydrophobicContact CG1-CE2 3.95Å; I91-L100 HydrophobicContact CD1-CD2 4.13Å; I91-C246 CarbonylContact O-C 3.5Å; I91-C246 VanDerWaalsContact O-CA 3.26Å; I91-C246 WeakPolarHBondContact O-CA 3.31Å; I91-F247 HydrophobicContact CG1-CB 4.06Å; I91-F247 PolarHBondContact N-O 3.22Å; I91-F247 PolarHBondContact O-N 3.38Å; I91-L260 HydrophobicContact CD1-CB 4.39Å; I91-L260 HydrophobicContact CD1-CD1 4.39Å; I91-L261 HydrophobicContact CG2-CB 4.06Å; I91-I282 CarbonylContact C-O 3.54Å; I91-I282 WeakPolarHBondContact CA-O 3.2Å; I91-G284 CarbonylContact C-O 3.26Å; I91-G284 VanDerWaalsContact C-O 3.26Å; I91-G284 WeakPolarHBondContact CA-O 3.49Å
92	T	96.2	Very high	79.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.3	177	-55.7	0	0	0	0	110.2	G245 I281 I282 G284 C285 F286 W335	T92-G245 CarbonylContact C-O 3.49Å; T92-G245 WeakPolarHBondContact CA-O 3.47Å; T92-I281 WeakPolarHBondContact O-CA 3.24Å; T92-I282 PolarHBondContact N-O 2.74Å; T92-I282 PolarHBondContact O-N 3.27Å; T92-I282 VanDerWaalsContact O-N 3.07Å; T92-G284 PolarHBondContact N-O 3.06Å; T92-G284 VanDerWaalsContact N-O 3.1Å; T92-G284 PolarHBondContact OG1-O 3.09Å; T92-C285 WeakPolarHBondContact OG1-CA 3.5Å; T92-F286 PolarHBondContact OG1-N 3.17Å; T92-W335 HydrophobicContact CG2-CE3 4.31Å; T92-W335 HydrophobicContact CG2-CH2 3.79Å; T92-W335 HydrophobicContact CG2-CZ3 3.54Å
93	F	96.4	Very high	82.6	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.4	164.3	-64.7	-91.1	0	0	0	108.4	I91 C98 L100 I222 F243 Q244 G245 F247 I281	I91-F93 HydrophobicContact CD1-CE2 3.64Å; I91-F93 HydrophobicContact CD1-CZ 3.78Å; I91-F93 HydrophobicContact CG1-CE2 3.95Å; F93-C98 WeakPolarHBondContact CD1-O 3.37Å; F93-L100 HydrophobicContact CE1-CB 4.23Å; F93-L100 HydrophobicContact CZ-CB 4.1Å; F93-I222 WeakPolarHBondContact CE1-O 3.46Å; F93-I222 HydrophobicContact CE2-CG2 4.21Å; F93-I222 HydrophobicContact CZ-CB 4.5Å; F93-I222 HydrophobicContact CZ-CG2 4.06Å; F93-I222 WeakPolarHBondContact CZ-O 3.49Å; F93-F243 HydrophobicContact CD2-CE1 4.03Å; F93-F243 HydrophobicContact CD2-CZ 4.14Å; F93-F243 HydrophobicContact CE2-CE1 4.35Å; F93-Q244 PolarHBondContact O-NE2 3.08Å; F93-G245 PolarHBondContact N-O 3.28Å; F93-G245 PolarHBondContact O-N 3.04Å; F93-F247 HydrophobicContact CD2-CB 4.47Å; F93-F247 HydrophobicContact CE2-CB 3.95Å; F93-I281 HydrophobicContact CD1-CD1 4.11Å; F93-I281 HydrophobicContact CD1-CG1 3.89Å; F93-I281 HydrophobicContact CD1-CG2 4.41Å; F93-I281 HydrophobicContact CE1-CD1 3.81Å; F93-I281 HydrophobicContact CE1-CG1 4.02Å; F93-I281 HydrophobicContact CE1-CG2 4.12Å; F93-I281 HydrophobicContact CZ-CG2 4.46Å
94	K	94.2	Very high	85.6	Confident	38 Å²	38	43.7 Å²	43.7	17%	0.165	23%	0.226	C	C	.	.			trans	-78.2	-27.5	-179	-72.8	-170.9	-163.8	155.9	0	113.9	Q244 D279 Q280 W335	K94-Q244 VanDerWaalsContact O-CG 3.27Å; K94-Q244 WeakPolarHBondContact O-CG 3.27Å; K94-D279 PolarHBondContact NZ-O 2.82Å; K94-Q280 HydrophobicContact CB-CB 4.19Å; K94-Q280 WeakPolarHBondContact CB-O 3.43Å; K94-Q280 WeakPolarHBondContact CG-O 3.41Å; K94-Q280 PolarHBondContact N-O 3.19Å; K94-W335 HydrophobicContact CB-CB 3.88Å; K94-W335 HydrophobicContact CB-CD2 4.25Å; K94-W335 HydrophobicContact CB-CE3 4.27Å; K94-W335 HydrophobicContact CB-CG 4.08Å; K94-W335 HydrophobicContact CD-CB 4.41Å; K94-W335 HydrophobicContact CD-CD2 4.23Å; K94-W335 HydrophobicContact CD-CG 3.96Å; K94-W335 HydrophobicContact CG-CB 4.24Å; K94-W335 HydrophobicContact CG-CD2 3.77Å; K94-W335 HydrophobicContact CG-CE3 3.96Å; K94-W335 HydrophobicContact CG-CG 3.87Å; K94-W335 WeakPolarHBondContact O-CB 3.35Å; K94-W335 PolarHBondContact O-N 3.25Å; K94-W335 VanDerWaalsContact O-N 3.1Å
95	E	92.6	Very high	88.4	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.178	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-138.4	136.3	-172.7	-64	-58.9	146.2	0	0	110.1	D97 C98 S334 W335	E95-D97 PolarHBondContact O-N 3.49Å; E95-C98 WeakPolarHBondContact O-CB 3.42Å; E95-C98 PolarHBondContact O-N 3.08Å; E95-S334 WeakPolarHBondContact OE1-CB 3.39Å; E95-S334 PolarHBondContact OE1-OG 2.85Å; E95-S334 WeakPolarHBondContact OE2-CB 3.43Å; E95-S334 PolarHBondContact OE2-OG 3.01Å; E95-W335 PolarHBondContact OE1-N 3.14Å
96	A	91.3	Very high	90.7	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.033	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.8	-175.9	0	0	0	0	0	114.6	C98 H241 G242	A96-C98 VanDerWaalsContact C-N 3.27Å; A96-H241 HydrophobicContact CB-CB 4.24Å; A96-G242 WeakPolarHBondContact CB-O 3.47Å; A96-G242 CarbonylContact O-C 3.56Å; A96-G242 WeakPolarHBondContact O-CA 3.34Å; A96-G242 PolarHBondContact O-N 3.35Å
97	D	90.4	Very high	92.5	Very high	76 Å²	76	31.9 Å²	31.9	41%	0.406	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.7	173.8	-54.8	-44.6	0	0	0	112.6	E95 H241 K339	E95-D97 PolarHBondContact O-N 3.49Å; D97-H241 IonicContact OD1-ND1 3.95Å; D97-H241 PolarHBondContact OD1-ND1 2.73Å; D97-K339 VanDerWaalsContact CG-NZ 3.32Å; D97-K339 IonicContact OD1-NZ 3.17Å; D97-K339 PolarHBondContact OD1-NZ 3.37Å; D97-K339 IonicContact OD2-NZ 2.71Å; D97-K339 PolarHBondContact OD2-NZ 3.04Å
98	C	95.1	Very high	93.5	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.027	17%	0.172	C	C	.	.			trans	-96	132.5	-175.2	-66.9	0	0	0	0	113.1	F93 E95 A96 G223 C277 Q280 I281	F93-C98 WeakPolarHBondContact CD1-O 3.37Å; E95-C98 WeakPolarHBondContact O-CB 3.42Å; E95-C98 PolarHBondContact O-N 3.08Å; A96-C98 VanDerWaalsContact C-N 3.27Å; C98-G223 CarbonylContact O-C 3.54Å; C98-C277 WeakPolarHBondContact CA-SG 2.98Å; C98-C277 HydrophobicContact CB-CB 3.67Å; C98-C277 WeakPolarHBondContact CB-SG 3.45Å; C98-C277 WeakPolarHBondContact SG-CB 3.01Å; C98-C277 CovalentContact SG-SG 2.03Å; C98-C277 PolarHBondContact SG-SG 3.33Å; C98-Q280 VanDerWaalsContact SG-CB 3.59Å; C98-I281 HydrophobicContact CB-CD1 4.3Å; C98-I281 HydrophobicContact CB-CG1 4.13Å
99	Y	96.7	Very high	93.8	Very high	29 Å²	29	37 Å²	37	11%	0.114	17%	0.173	C	C	.	.			trans	-136.4	151.7	-177.6	63.1	-93.7	0	0	0	112.1	H101 F221 I222 G224 I225 S226 T273 V274 I281	Y99-H101 HydrophobicContact CE2-CB 4.49Å; Y99-F221 AromaticContact CD2-CD1 3.67Å; Y99-F221 HydrophobicContact CD2-CD1 3.67Å; Y99-F221 AromaticContact CD2-CE1 3.99Å; Y99-F221 HydrophobicContact CD2-CE1 3.99Å; Y99-F221 HydrophobicContact CE2-CD1 4Å; Y99-F221 AromaticContact CE2-CE1 3.81Å; Y99-F221 HydrophobicContact CE2-CE1 3.81Å; Y99-F221 HydrophobicContact CG-CD1 4.42Å; Y99-I222 CarbonylContact C-O 3.58Å; Y99-I222 WeakPolarHBondContact CA-O 3.48Å; Y99-G224 VanDerWaalsContact CB-O 3.31Å; Y99-G224 WeakPolarHBondContact CB-O 3.22Å; Y99-I225 VanDerWaalsContact CD1-C 3.45Å; Y99-I225 WeakPolarHBondContact CD1-O 3.15Å; Y99-S226 WeakPolarHBondContact OH-CB 3.44Å; Y99-T273 WeakPolarHBondContact O-CB 3.46Å; Y99-T273 PolarHBondContact O-OG1 3.35Å; Y99-V274 HydrophobicContact CE1-CG1 3.88Å; Y99-V274 VanDerWaalsContact OH-CG1 3.31Å; Y99-V274 WeakPolarHBondContact OH-CG1 3.45Å; Y99-I281 WeakPolarHBondContact O-CD1 3.5Å
100	L	96.9	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.1	173.3	-169.6	68.4	0	0	0	110.2	I91 F93 F221 I222 L260 L261 A264 W272	I91-L100 HydrophobicContact CD1-CD2 4.13Å; F93-L100 HydrophobicContact CE1-CB 4.23Å; F93-L100 HydrophobicContact CZ-CB 4.1Å; L100-F221 WeakPolarHBondContact O-CA 3.42Å; L100-I222 HydrophobicContact CB-CB 4.37Å; L100-I222 PolarHBondContact N-O 3.08Å; L100-I222 PolarHBondContact O-N 2.72Å; L100-I222 VanDerWaalsContact O-N 3.1Å; L100-L260 HydrophobicContact CD2-CB 3.77Å; L100-L261 HydrophobicContact CD1-CD1 3.86Å; L100-A264 HydrophobicContact CD1-CB 3.56Å; L100-A264 HydrophobicContact CD2-CB 4.16Å; L100-A264 HydrophobicContact CG-CB 3.83Å; L100-W272 HydrophobicContact CD1-CE3 3.82Å; L100-W272 HydrophobicContact CD1-CZ3 4.34Å
101	H	95.7	Very high	93.6	Very high	34 Å²	34	36.1 Å²	36.1	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.4	177.3	178.8	-121.9	0	0	0	109.4	Y99 P219 F221 A264 Y268 N271 W272	Y99-H101 HydrophobicContact CE2-CB 4.49Å; H101-P219 VanDerWaalsContact CD2-CB 3.41Å; H101-P219 WeakPolarHBondContact CD2-CB 3.23Å; H101-P219 VanDerWaalsContact NE2-CB 3.31Å; H101-P219 WeakPolarHBondContact NE2-CB 3.22Å; H101-P219 WeakPolarHBondContact NE2-CG 3.34Å; H101-F221 AromaticContact CD2-CE1 3.95Å; H101-F221 AromaticContact CD2-CZ 3.95Å; H101-A264 WeakPolarHBondContact O-CB 3.41Å; H101-Y268 AromaticContact CE1-CD1 3.6Å; H101-Y268 AromaticContact CE1-CE1 3.43Å; H101-Y268 VanDerWaalsContact CE1-CE1 3.43Å; H101-Y268 WeakPolarHBondContact CE1-CE1 3.31Å; H101-Y268 AromaticContact CE1-CE2 3.94Å; H101-Y268 AromaticContact CE1-CG 3.93Å; H101-Y268 AromaticContact CE1-CZ 3.61Å; H101-Y268 AromaticContact ND1-CD1 3.71Å; H101-Y268 AromaticContact ND1-CD2 3.55Å; H101-Y268 AromaticContact ND1-CE1 3.88Å; H101-Y268 AromaticContact ND1-CE2 3.73Å; H101-Y268 AromaticContact ND1-CG 3.53Å; H101-Y268 AromaticContact ND1-CZ 3.88Å; H101-Y268 WeakPolarHBondContact O-CD2 3.37Å; H101-N271 PolarHBondContact ND1-O 2.81Å; H101-W272 WeakPolarHBondContact CB-O 3Å; H101-W272 PolarHBondContact N-O 3.47Å
102	H	95.6	Very high	93.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154	-167	-179.2	-83	0	0	0	111.3	S104 L220 Y258 K263	H102-S104 PolarHBondContact O-N 2.99Å; H102-L220 HydrophobicContact CB-CB 4.21Å; H102-L220 HydrophobicContact CB-CD2 4.34Å; H102-L220 HydrophobicContact CB-CG 4.36Å; H102-L220 PolarHBondContact N-O 3.26Å; H102-L220 PolarHBondContact O-N 2.76Å; H102-Y258 PolarHBondContact CE1-OH 2.72Å; H102-Y258 AromaticContact NE2-CE2 3.57Å; H102-K263 WeakPolarHBondContact NE2-CD 3.44Å
103	P	94.4	Very high	93.6	Very high	29 Å²	29	37.4 Å²	37.4	19%	0.188	18%	0.18	C	C	.	.			trans	-42.6	136.6	166.7	-30.8	31.1	0	0	0	114.2	L220 K267	P103-L220 VanDerWaalsContact O-CB 3.29Å; P103-L220 WeakPolarHBondContact O-CB 3.36Å; P103-K267 HydrophobicContact CG-CB 4.1Å; P103-K267 HydrophobicContact CG-CD 4.43Å; P103-K267 HydrophobicContact CG-CG 3.92Å
104	S	95.3	Very high	93.7	Very high	30 Å²	30	39.7 Å²	39.7	21%	0.21	19%	0.191	C	C	.	.			trans	-56.5	156	178.3	-46.4	0	0	0	0	113.6	H102 L216 D218	H102-S104 PolarHBondContact O-N 2.99Å; S104-L216 VanDerWaalsContact CB-O 3.23Å; S104-L216 WeakPolarHBondContact CB-O 3.4Å; S104-D218 WeakPolarHBondContact CB-O 3.29Å; S104-D218 PolarHBondContact OG-O 3.23Å
105	M	95	Very high	93.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	18%	0.183	C	C	.	.			trans	-86.6	140	175.7	-55.7	-164.3	-67.9	0	0	111.2	L107 V113 L127 N129 I138 L216 L220 F250 I252	M105-L107 HydrophobicContact CB-CD1 4.38Å; M105-L107 HydrophobicContact CB-CD2 4.14Å; M105-L107 HydrophobicContact CB-CG 3.97Å; M105-L107 HydrophobicContact CE-CD1 4.03Å; M105-V113 HydrophobicContact SD-CG1 4.32Å; M105-V113 HydrophobicContact SD-CG2 4.35Å; M105-L127 HydrophobicContact CE-CD2 3.94Å; M105-N129 WeakPolarHBondContact CB-OD1 3.45Å; M105-N129 HydrophobicContact CE-CB 3.97Å; M105-N129 PolarHBondContact N-OD1 2.9Å; M105-I138 HydrophobicContact CE-CD1 4.46Å; M105-I138 HydrophobicContact CE-CG2 3.55Å; M105-L216 HydrophobicContact CB-CD1 4.21Å; M105-L216 HydrophobicContact CE-CD1 4.27Å; M105-L220 HydrophobicContact CE-CD1 4.21Å; M105-L220 HydrophobicContact CG-CD1 4.12Å; M105-L220 HydrophobicContact CG-CD2 3.9Å; M105-L220 HydrophobicContact CG-CG 4.41Å; M105-L220 HydrophobicContact SD-CD1 4.11Å; M105-L220 HydrophobicContact SD-CD2 4.25Å; M105-F250 HydrophobicContact SD-CZ 4.01Å; M105-I252 HydrophobicContact CB-CD1 4.18Å; M105-I252 HydrophobicContact CG-CD1 3.7Å; M105-I252 HydrophobicContact SD-CD1 3.99Å
106	H	93.1	Very high	94	Very high	104 Å²	104	36.1 Å²	36.1	48%	0.481	18%	0.175	S	C	.	.			trans	-108.3	84	178.3	-63.1	-42.3	0	0	0	109.7	Y108 N253	H106-Y108 HydrophobicContact CB-CD2 4.43Å; H106-Y108 HydrophobicContact CB-CE2 3.76Å; H106-N253 PolarHBondContact O-ND2 2.77Å
107	L	93.2	Very high	94.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.173	C	C	.	.			trans	-102.6	86.3	-174.2	-52	-174	0	0	0	110.2	M105 F111 V113 I138 F214 L216 I252	M105-L107 HydrophobicContact CB-CD1 4.38Å; M105-L107 HydrophobicContact CB-CD2 4.14Å; M105-L107 HydrophobicContact CB-CG 3.97Å; M105-L107 HydrophobicContact CE-CD1 4.03Å; L107-F111 HydrophobicContact CB-CB 4.27Å; L107-F111 HydrophobicContact CB-CD1 4.22Å; L107-F111 HydrophobicContact CB-CD2 4.2Å; L107-F111 HydrophobicContact CB-CG 3.99Å; L107-F111 HydrophobicContact CD1-CD2 4.15Å; L107-F111 HydrophobicContact CD1-CE2 4.07Å; L107-F111 HydrophobicContact CD2-CB 4.15Å; L107-F111 HydrophobicContact CD2-CD2 3.88Å; L107-F111 HydrophobicContact CD2-CG 4.21Å; L107-F111 HydrophobicContact CG-CD2 4.29Å; L107-V113 HydrophobicContact CD1-CG2 4.04Å; L107-V113 HydrophobicContact CD2-CG2 3.51Å; L107-V113 HydrophobicContact CG-CG2 4.45Å; L107-I138 HydrophobicContact CD1-CD1 3.89Å; L107-F214 HydrophobicContact CB-CB 4.28Å; L107-F214 HydrophobicContact CB-CD2 4.2Å; L107-F214 HydrophobicContact CD1-CD2 4.38Å; L107-F214 PolarHBondContact O-N 3.1Å; L107-L216 HydrophobicContact CD1-CD1 4.03Å; L107-L216 HydrophobicContact CG-CD1 4.3Å; L107-I252 HydrophobicContact CD2-CG2 4.03Å
108	Y	86.6	Confident	94.6	Very high	142 Å²	142	34.7 Å²	34.7	56%	0.557	16%	0.163	S	C	*	.			trans	-89	-154.4	180	-57.7	-60.8	0	0	0	111.6	H106 I110 F111 R179 N213	H106-Y108 HydrophobicContact CB-CD2 4.43Å; H106-Y108 HydrophobicContact CB-CE2 3.76Å; Y108-I110 PolarHBondContact O-N 2.82Å; Y108-F111 WeakPolarHBondContact O-CD1 3.29Å; Y108-R179 PolarHBondContact O-NH2 2.78Å; Y108-N213 WeakPolarHBondContact CA-OD1 3.34Å
109	E	85.7	Confident	94.6	Very high	109 Å²	109	34.7 Å²	34.7	51%	0.509	16%	0.163	S	C	.	.	S	Bend	trans	-54.3	-56.1	-169.9	-65.8	-168.8	150.3	0	0	113	R179 L182 N213	E109-R179 PolarHBondContact O-NE 3.1Å; E109-R179 PolarHBondContact O-NH2 2.86Å; E109-L182 HydrophobicContact CB-CD1 3.8Å; E109-L182 HydrophobicContact CB-CD2 3.66Å; E109-L182 HydrophobicContact CB-CG 4.29Å; E109-L182 HydrophobicContact CG-CD2 4.21Å; E109-L182 WeakPolarHBondContact O-CD2 3.19Å; E109-N213 WeakPolarHBondContact CA-OD1 3.36Å; E109-N213 PolarHBondContact N-OD1 3.04Å
110	I	91.1	Very high	94.2	Very high	111 Å²	111	34.3 Å²	34.3	57%	0.569	17%	0.165	S	C	*	.	S	Bend	trans	-106.7	128.4	169.3	-69	170.4	0	0	0	107.8	Y108 R179 L182	Y108-I110 PolarHBondContact O-N 2.82Å; I110-R179 WeakPolarHBondContact CA-O 3.28Å; I110-R179 WeakPolarHBondContact CG2-O 3.33Å; I110-L182 HydrophobicContact CD1-CD1 4.43Å; I110-L182 HydrophobicContact CG1-CD1 4.12Å
111	F	94.5	Very high	93.9	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.8	-179	76.7	-95.3	0	0	0	112.4	L107 Y108 V113 L177 S178 R179 L187 F214 N253	L107-F111 HydrophobicContact CB-CB 4.27Å; L107-F111 HydrophobicContact CB-CD1 4.22Å; L107-F111 HydrophobicContact CB-CD2 4.2Å; L107-F111 HydrophobicContact CB-CG 3.99Å; L107-F111 HydrophobicContact CD1-CD2 4.15Å; L107-F111 HydrophobicContact CD1-CE2 4.07Å; L107-F111 HydrophobicContact CD2-CB 4.15Å; L107-F111 HydrophobicContact CD2-CD2 3.88Å; L107-F111 HydrophobicContact CD2-CG 4.21Å; L107-F111 HydrophobicContact CG-CD2 4.29Å; Y108-F111 WeakPolarHBondContact O-CD1 3.29Å; F111-V113 HydrophobicContact CD2-CG2 4.27Å; F111-L177 HydrophobicContact CE2-CD2 4.02Å; F111-L177 HydrophobicContact CE2-CG 4.01Å; F111-L177 HydrophobicContact CZ-CD2 4.47Å; F111-S178 WeakPolarHBondContact O-CA 3.43Å; F111-R179 HydrophobicContact CD1-CB 3.79Å; F111-R179 HydrophobicContact CE1-CB 3.58Å; F111-R179 HydrophobicContact CZ-CB 4.21Å; F111-R179 PolarHBondContact N-O 3.26Å; F111-R179 PolarHBondContact O-N 3.39Å; F111-L187 HydrophobicContact CE1-CD2 3.97Å; F111-L187 HydrophobicContact CZ-CD2 3.79Å; F111-F214 HydrophobicContact CE1-CD2 4.23Å; F111-F214 HydrophobicContact CE1-CE2 4.13Å; F111-F214 HydrophobicContact CZ-CD2 4.25Å; F111-F214 AromaticContact CZ-CE2 3.85Å; F111-F214 HydrophobicContact CZ-CE2 3.85Å; F111-N253 WeakPolarHBondContact CA-OD1 3.4Å; F111-N253 WeakPolarHBondContact CB-OD1 3.23Å
112	N	95.6	Very high	93.6	Very high	26 Å²	26	35 Å²	35	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.8	176.1	175.6	-99	0	0	0	108	Q114 E176 L177 I252 N253	N112-Q114 WeakPolarHBondContact OD1-CG 3.43Å; N112-E176 PolarHBondContact ND2-OE1 2.81Å; N112-L177 CarbonylContact C-O 3.59Å; N112-L177 WeakPolarHBondContact CA-O 3.27Å; N112-I252 CarbonylContact O-C 3.38Å; N112-I252 WeakPolarHBondContact O-CA 3.31Å; N112-N253 PolarHBondContact N-OD1 3.29Å; N112-N253 PolarHBondContact O-N 3.25Å
113	V	97.1	Very high	93.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125	174.7	178.5	0	0	0	0	106.5	M105 L107 F111 L177 F250	M105-V113 HydrophobicContact SD-CG1 4.32Å; M105-V113 HydrophobicContact SD-CG2 4.35Å; L107-V113 HydrophobicContact CD1-CG2 4.04Å; L107-V113 HydrophobicContact CD2-CG2 3.51Å; L107-V113 HydrophobicContact CG-CG2 4.45Å; F111-V113 HydrophobicContact CD2-CG2 4.27Å; V113-L177 PolarHBondContact N-O 3.2Å; V113-L177 PolarHBondContact O-N 3.22Å; V113-F250 HydrophobicContact CG1-CE2 4.22Å
114	Q	97	Very high	93.3	Very high	48 Å²	48	35.3 Å²	35.3	22%	0.224	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.5	177.1	-40.6	162.2	-41.5	0	0	110	N112 V175 E176 F250 S251	N112-Q114 WeakPolarHBondContact OD1-CG 3.43Å; Q114-V175 CarbonylContact C-O 3.51Å; Q114-V175 VanDerWaalsContact CA-O 3.23Å; Q114-V175 WeakPolarHBondContact CA-O 3.37Å; Q114-E176 HydrophobicContact CG-CB 4.12Å; Q114-E176 HydrophobicContact CG-CG 4.09Å; Q114-E176 PolarHBondContact NE2-OE1 3.07Å; Q114-F250 WeakPolarHBondContact O-CA 3.4Å; Q114-S251 WeakPolarHBondContact CB-OG 3.37Å; Q114-S251 VanDerWaalsContact CG-OG 3.28Å; Q114-S251 WeakPolarHBondContact CG-OG 3.41Å; Q114-S251 PolarHBondContact N-O 2.92Å; Q114-S251 VanDerWaalsContact N-O 3.14Å; Q114-S251 PolarHBondContact N-OG 2.82Å; Q114-S251 PolarHBondContact O-N 3.01Å; Q114-S251 PolarHBondContact OE1-OG 3.02Å
115	F	97.4	Very high	93.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.2	172.8	61.2	-86	0	0	0	111.3	F117 L126 F140 H174 V175 F247 F250	F115-F117 HydrophobicContact CD2-CD1 4.25Å; F115-F117 AromaticContact CE2-CD1 3.85Å; F115-F117 HydrophobicContact CE2-CD1 3.85Å; F115-F117 HydrophobicContact CE2-CE1 4.48Å; F115-L126 HydrophobicContact CE2-CD1 4.33Å; F115-F140 HydrophobicContact CE1-CD1 4.33Å; F115-F140 AromaticContact CE1-CD2 3.88Å; F115-F140 HydrophobicContact CE1-CD2 3.88Å; F115-F140 HydrophobicContact CE1-CE1 4.38Å; F115-F140 AromaticContact CE1-CE2 3.95Å; F115-F140 HydrophobicContact CE1-CE2 3.95Å; F115-F140 HydrophobicContact CE1-CG 4.07Å; F115-F140 HydrophobicContact CE1-CZ 4.19Å; F115-F140 HydrophobicContact CZ-CB 4.07Å; F115-F140 AromaticContact CZ-CD1 3.88Å; F115-F140 HydrophobicContact CZ-CD1 3.88Å; F115-F140 HydrophobicContact CZ-CD2 4.02Å; F115-F140 HydrophobicContact CZ-CE1 4.28Å; F115-F140 HydrophobicContact CZ-CE2 4.42Å; F115-F140 AromaticContact CZ-CG 3.72Å; F115-F140 HydrophobicContact CZ-CG 3.72Å; F115-H174 WeakPolarHBondContact O-CA 3.13Å; F115-H174 PolarHBondContact O-ND1 2.84Å; F115-V175 HydrophobicContact CD1-CB 4.15Å; F115-V175 HydrophobicContact CD2-CB 4.36Å; F115-V175 HydrophobicContact CD2-CG2 4.44Å; F115-V175 HydrophobicContact CE1-CB 3.76Å; F115-V175 HydrophobicContact CE1-CG1 3.79Å; F115-V175 HydrophobicContact CE1-CG2 4.42Å; F115-V175 HydrophobicContact CE2-CB 3.98Å; F115-V175 HydrophobicContact CE2-CG2 3.82Å; F115-V175 HydrophobicContact CG-CB 4.44Å; F115-V175 HydrophobicContact CZ-CB 3.66Å; F115-V175 HydrophobicContact CZ-CG1 3.85Å; F115-V175 HydrophobicContact CZ-CG2 3.81Å; F115-V175 PolarHBondContact N-O 2.82Å; F115-V175 PolarHBondContact O-N 2.83Å; F115-F247 HydrophobicContact CB-CE1 3.93Å; F115-F247 HydrophobicContact CB-CE2 4.23Å; F115-F247 HydrophobicContact CB-CZ 3.56Å; F115-F247 HydrophobicContact CD1-CZ 4.47Å; F115-F247 HydrophobicContact CD2-CD2 4.4Å; F115-F247 AromaticContact CD2-CE2 3.51Å; F115-F247 HydrophobicContact CD2-CE2 3.51Å; F115-F247 AromaticContact CD2-CZ 3.69Å; F115-F247 HydrophobicContact CD2-CZ 3.69Å; F115-F247 HydrophobicContact CE2-CE2 4.05Å; F115-F247 HydrophobicContact CE2-CZ 4.49Å; F115-F247 HydrophobicContact CG-CE2 4.02Å; F115-F247 AromaticContact CG-CZ 3.69Å; F115-F247 HydrophobicContact CG-CZ 3.69Å; F115-F250 HydrophobicContact CB-CD2 4.07Å
116	S	97.4	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146	166.4	-60.1	0	0	0	0	110.2	H87 H173 H174 F247 G248	H87-S116 WeakPolarHBondContact ND1-CB 3.16Å; H87-S116 PolarHBondContact ND1-OG 3.08Å; S116-H173 CarbonylContact C-O 3.49Å; S116-H173 WeakPolarHBondContact CA-O 3.19Å; S116-H173 WeakPolarHBondContact CB-O 3.19Å; S116-H174 PolarHBondContact OG-ND1 2.81Å; S116-F247 CarbonylContact O-C 3.52Å; S116-F247 WeakPolarHBondContact O-CA 3.26Å; S116-G248 PolarHBondContact N-O 3.18Å; S116-G248 PolarHBondContact O-N 2.93Å
117	F	97.6	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159.4	175.1	71.7	-84	0	0	0	111.5	F115 T119 L126 L142 L147 V167 W172 H173 V175 C246 F247	F115-F117 HydrophobicContact CD2-CD1 4.25Å; F115-F117 AromaticContact CE2-CD1 3.85Å; F115-F117 HydrophobicContact CE2-CD1 3.85Å; F115-F117 HydrophobicContact CE2-CE1 4.48Å; F117-T119 HydrophobicContact CD2-CG2 4.37Å; F117-L126 HydrophobicContact CD1-CD1 4.06Å; F117-L126 HydrophobicContact CD2-CD1 4.19Å; F117-L126 HydrophobicContact CE1-CD1 4.22Å; F117-L126 HydrophobicContact CE2-CD1 4.36Å; F117-L126 HydrophobicContact CG-CD1 4.05Å; F117-L126 HydrophobicContact CZ-CD1 4.37Å; F117-L142 HydrophobicContact CE2-CD1 4.49Å; F117-L142 HydrophobicContact CE2-CD2 4.09Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; F117-L147 HydrophobicContact CE1-CD1 4.18Å; F117-L147 HydrophobicContact CE1-CD2 4.38Å; F117-L147 HydrophobicContact CZ-CD1 4.18Å; F117-V167 HydrophobicContact CE2-CB 4.08Å; F117-V167 HydrophobicContact CE2-CG2 4.1Å; F117-V167 HydrophobicContact CZ-CB 3.85Å; F117-V167 HydrophobicContact CZ-CG1 4.39Å; F117-V167 HydrophobicContact CZ-CG2 3.9Å; F117-W172 WeakPolarHBondContact O-CA 3.49Å; F117-H173 HydrophobicContact CD1-CB 4.29Å; F117-H173 HydrophobicContact CE1-CB 3.75Å; F117-H173 HydrophobicContact CE2-CB 4.36Å; F117-H173 HydrophobicContact CZ-CB 3.79Å; F117-H173 PolarHBondContact N-O 3.07Å; F117-H173 PolarHBondContact O-N 3.47Å; F117-V175 HydrophobicContact CD1-CG2 4.17Å; F117-V175 HydrophobicContact CE1-CG2 3.74Å; F117-C246 CarbonylContact C-O 3.56Å; F117-C246 VanDerWaalsContact CA-O 3.26Å; F117-C246 WeakPolarHBondContact CA-O 3.36Å; F117-F247 HydrophobicContact CB-CD2 4.45Å
118	R	95.8	Very high	94	Very high	50 Å²	50	29 Å²	29	19%	0.189	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	124.8	178.5	170.7	173.8	-161	-137	-2.6	109.8	S170 K171 W172 G245 C246 E287	R118-S170 VanDerWaalsContact CZ-O 3.24Å; R118-S170 PolarHBondContact NE-O 3.2Å; R118-S170 PolarHBondContact NH2-O 3.21Å; R118-K171 WeakPolarHBondContact CA-O 3.4Å; R118-K171 WeakPolarHBondContact CB-O 3.5Å; R118-K171 VanDerWaalsContact CG-O 3.29Å; R118-K171 WeakPolarHBondContact CG-O 3.4Å; R118-W172 HydrophobicContact CB-CD2 3.78Å; R118-W172 HydrophobicContact CB-CE3 3.78Å; R118-W172 HydrophobicContact CB-CG 4.2Å; R118-W172 HydrophobicContact CB-CZ3 4.24Å; R118-G245 CarbonylContact O-C 3.59Å; R118-G245 WeakPolarHBondContact O-CA 3.45Å; R118-C246 HydrophobicContact CB-CB 4.17Å; R118-C246 PolarHBondContact N-O 2.69Å; R118-C246 PolarHBondContact O-N 3.15Å; R118-E287 IonicContact CZ-OE1 2.98Å; R118-E287 IonicContact NH1-OE1 3.8Å; R118-E287 PolarHBondContact NH1-OE1 2.92Å; R118-E287 IonicContact NH2-OE1 3.25Å; R118-E287 PolarHBondContact NH2-OE1 3.37Å
119	T	94	Very high	94.5	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.031	11%	0.109	C	C	.	.			trans	-158.8	166.2	-177.7	-176.3	0	0	0	0	113.1	F117 Q121 L142 T168 S170 F243 Q244	F117-T119 HydrophobicContact CD2-CG2 4.37Å; T119-Q121 PolarHBondContact OG1-N 3.29Å; T119-L142 HydrophobicContact CG2-CD1 3.54Å; T119-T168 HydrophobicContact CG2-CG2 4.19Å; T119-T168 CarbonylContact O-C 3.48Å; T119-T168 VanDerWaalsContact O-CA 3.3Å; T119-T168 WeakPolarHBondContact O-CA 3.46Å; T119-S170 WeakPolarHBondContact O-CA 3.38Å; T119-S170 PolarHBondContact O-N 3.3Å; T119-S170 VanDerWaalsContact O-N 3.12Å; T119-F243 HydrophobicContact CG2-CD2 4.39Å; T119-Q244 WeakPolarHBondContact CB-O 3.4Å; T119-Q244 PolarHBondContact OG1-O 2.71Å
120	S	89.9	Confident	94.9	Very high	21 Å²	21	17 Å²	17	15%	0.147	9%	0.085	C	C	.	.			trans	-113.3	-0.1	165.9	65.3	0	0	0	0	113.6	H333	S120-H333 VanDerWaalsContact C-CE1 3.44Å; S120-H333 PolarHBondContact O-CE1 3.35Å
121	Q	89.5	Confident	95	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.019	6%	0.059	C	C	.	.			trans	-86.1	126.4	-176.2	-168.1	-178.4	-55.2	0	0	110.3	T119 D123 T168 G242 H333	T119-Q121 PolarHBondContact OG1-N 3.29Å; Q121-D123 WeakPolarHBondContact CG-O 3.34Å; Q121-D123 PolarHBondContact NE2-O 2.91Å; Q121-T168 WeakPolarHBondContact O-CG2 3.44Å; Q121-G242 PolarHBondContact NE2-O 3.31Å; Q121-H333 WeakPolarHBondContact CA-ND1 3.37Å
122	E	89.5	Confident	94.6	Very high	44 Å²	44	18.1 Å²	18.1	21%	0.206	9%	0.086	C	C	.	.	S	Bend	trans	-72.9	-34.6	-170.8	-57.5	-142.3	174.2	0	0	113.8	K144 S145 K166 N296	E122-K144 PolarHBondContact O-N 2.93Å; E122-S145 VanDerWaalsContact CG-OG 3.24Å; E122-S145 WeakPolarHBondContact CG-OG 3.02Å; E122-S145 WeakPolarHBondContact O-CA 3.34Å; E122-S145 PolarHBondContact O-N 3.37Å; E122-S145 PolarHBondContact OE2-OG 2.92Å; E122-K166 IonicContact OE1-NZ 2.77Å; E122-K166 PolarHBondContact OE1-NZ 3.48Å; E122-K166 IonicContact OE2-NZ 2.72Å; E122-K166 PolarHBondContact OE2-NZ 2.94Å; E122-N296 PolarHBondContact OE1-ND2 2.65Å
123	D	90.9	Very high	94.1	Very high	35 Å²	35	22.9 Å²	22.9	19%	0.187	11%	0.107	C	C	.	.	S	Bend	trans	-123.6	144	179.7	-59.4	-85.7	0	0	0	110.3	Q121 L142 I143 K144	Q121-D123 WeakPolarHBondContact CG-O 3.34Å; Q121-D123 PolarHBondContact NE2-O 2.91Å; D123-L142 CarbonylContact C-O 3.57Å; D123-L142 VanDerWaalsContact CA-O 3.32Å; D123-L142 WeakPolarHBondContact CA-O 3.04Å; D123-I143 WeakPolarHBondContact OD1-CA 3.47Å; D123-K144 PolarHBondContact OD1-N 2.74Å
124	G	93.6	Very high	93.5	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	145.9	174	0	0	0	0	0	116.3	L126 E141 L142 G242	G124-L126 PolarHBondContact O-N 2.81Å; G124-E141 WeakPolarHBondContact O-CA 3.36Å; G124-L142 PolarHBondContact N-O 3.45Å; G124-L142 PolarHBondContact O-N 2.85Å; G124-G242 WeakPolarHBondContact CA-O 3.34Å
125	L	96.8	Very high	93	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.6	-177.9	-174.7	60.7	0	0	0	112.4	F128 M139 E141 G223 G224 I225 H241	L125-F128 HydrophobicContact CD1-CB 4.29Å; L125-F128 HydrophobicContact CD2-CB 4.1Å; L125-F128 HydrophobicContact CG-CB 4.42Å; L125-M139 HydrophobicContact CD1-CG 3.53Å; L125-M139 HydrophobicContact CD1-SD 3.5Å; L125-M139 VanDerWaalsContact CD1-SD 3.5Å; L125-E141 HydrophobicContact CD1-CB 4.11Å; L125-G223 CarbonylContact O-C 3.59Å; L125-G223 VanDerWaalsContact O-C 3.28Å; L125-G224 PolarHBondContact O-N 2.77Å; L125-I225 HydrophobicContact CD2-CB 4.18Å; L125-I225 HydrophobicContact CD2-CD1 3.85Å; L125-I225 HydrophobicContact CD2-CG1 3.76Å; L125-I225 HydrophobicContact CD2-CG2 3.58Å; L125-H241 PolarHBondContact N-O 3Å
126	L	97.6	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-49.6	-179.1	-56.5	-176.1	0	0	0	112.1	F115 F117 G124 F140 L142 L147 I222 G223 F243	F115-L126 HydrophobicContact CE2-CD1 4.33Å; F117-L126 HydrophobicContact CD1-CD1 4.06Å; F117-L126 HydrophobicContact CD2-CD1 4.19Å; F117-L126 HydrophobicContact CE1-CD1 4.22Å; F117-L126 HydrophobicContact CE2-CD1 4.36Å; F117-L126 HydrophobicContact CG-CD1 4.05Å; F117-L126 HydrophobicContact CZ-CD1 4.37Å; G124-L126 PolarHBondContact O-N 2.81Å; L126-F140 HydrophobicContact CB-CB 4.32Å; L126-F140 WeakPolarHBondContact CB-O 3.01Å; L126-F140 PolarHBondContact N-O 2.83Å; L126-L142 HydrophobicContact CD1-CD2 4.41Å; L126-L142 HydrophobicContact CD1-CG 4.19Å; L126-L142 HydrophobicContact CD2-CD1 3.93Å; L126-L142 HydrophobicContact CD2-CG 4.07Å; L126-L142 HydrophobicContact CG-CG 4.2Å; L126-L147 HydrophobicContact CD1-CD1 3.58Å; L126-I222 WeakPolarHBondContact O-CA 3.14Å; L126-G223 PolarHBondContact O-N 2.86Å; L126-F243 HydrophobicContact CD2-CB 3.85Å; L126-F243 HydrophobicContact CD2-CD1 3.44Å; L126-F243 VanDerWaalsContact CD2-CD1 3.44Å; L126-F243 HydrophobicContact CD2-CD2 3.77Å; L126-F243 HydrophobicContact CD2-CE1 3.85Å; L126-F243 HydrophobicContact CD2-CE2 4.15Å; L126-F243 HydrophobicContact CD2-CG 3.39Å; L126-F243 HydrophobicContact CD2-CZ 4.19Å
127	L	97.6	Very high	92.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.5	-174.3	-178.2	148	0	0	0	110.2	M105 M139 F140 L220 F221 F247 F250	M105-L127 HydrophobicContact CE-CD2 3.94Å; L127-M139 WeakPolarHBondContact O-CA 3.32Å; L127-F140 HydrophobicContact CB-CB 4.35Å; L127-F140 HydrophobicContact CD2-CD2 4.37Å; L127-F140 PolarHBondContact N-O 3.44Å; L127-F140 VanDerWaalsContact N-O 3.09Å; L127-F140 PolarHBondContact O-N 2.75Å; L127-L220 HydrophobicContact CD1-CD1 4.04Å; L127-L220 HydrophobicContact CD2-CD1 4.03Å; L127-L220 HydrophobicContact CG-CD1 3.81Å; L127-F221 WeakPolarHBondContact CA-O 3.16Å; L127-F247 HydrophobicContact CD1-CZ 4.3Å; L127-F250 HydrophobicContact CD1-CE2 3.71Å; L127-F250 HydrophobicContact CD1-CZ 4.38Å
128	F	97.8	Very high	92.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	127.6	176.1	-179	-99.5	0	0	0	111.5	L125 S130 F137 M139 F221 I225 T229 W233 L237	L125-F128 HydrophobicContact CD1-CB 4.29Å; L125-F128 HydrophobicContact CD2-CB 4.1Å; L125-F128 HydrophobicContact CG-CB 4.42Å; F128-S130 WeakPolarHBondContact CE1-OG 3.41Å; F128-F137 HydrophobicContact CE2-CB 4.22Å; F128-F137 HydrophobicContact CE2-CD2 4.01Å; F128-F137 HydrophobicContact CE2-CG 4.43Å; F128-F137 HydrophobicContact CZ-CB 4.44Å; F128-M139 HydrophobicContact CD2-CB 4.11Å; F128-M139 HydrophobicContact CD2-CG 4.31Å; F128-M139 HydrophobicContact CD2-SD 4.23Å; F128-F221 HydrophobicContact CB-CB 4.4Å; F128-F221 HydrophobicContact CD1-CD2 4.26Å; F128-F221 PolarHBondContact N-O 2.83Å; F128-F221 PolarHBondContact O-N 3Å; F128-I225 HydrophobicContact CB-CG2 3.93Å; F128-I225 HydrophobicContact CD1-CG2 3.83Å; F128-I225 HydrophobicContact CG-CG2 4.1Å; F128-T229 HydrophobicContact CD1-CG2 4.12Å; F128-T229 HydrophobicContact CE1-CG2 3.75Å; F128-W233 AromaticContact CE1-CD1 3.88Å; F128-W233 HydrophobicContact CE1-CG 4.31Å; F128-W233 AromaticContact CE1-NE1 3.9Å; F128-W233 HydrophobicContact CZ-CB 4.3Å; F128-W233 AromaticContact CZ-CD1 3.69Å; F128-W233 AromaticContact CZ-CD2 3.73Å; F128-W233 HydrophobicContact CZ-CD2 3.73Å; F128-W233 AromaticContact CZ-CE2 3.82Å; F128-W233 HydrophobicContact CZ-CE3 4.33Å; F128-W233 AromaticContact CZ-CG 3.68Å; F128-W233 HydrophobicContact CZ-CG 3.68Å; F128-W233 AromaticContact CZ-NE1 3.74Å; F128-L237 HydrophobicContact CD2-CD2 4.26Å; F128-L237 HydrophobicContact CE2-CD2 4.12Å
129	N	97.1	Very high	92.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.1	170.2	-168.6	-154.6	0	0	0	110.2	M105 F137 I138 L216 D218 P219 L220	M105-N129 WeakPolarHBondContact CB-OD1 3.45Å; M105-N129 HydrophobicContact CE-CB 3.97Å; M105-N129 PolarHBondContact N-OD1 2.9Å; N129-F137 CarbonylContact O-C 3.57Å; N129-F137 WeakPolarHBondContact O-CA 3.02Å; N129-I138 HydrophobicContact CB-CG2 3.98Å; N129-I138 PolarHBondContact N-O 3.28Å; N129-I138 PolarHBondContact O-N 3.37Å; N129-L216 HydrophobicContact CB-CD1 4.28Å; N129-L216 WeakPolarHBondContact OD1-CB 3.47Å; N129-L216 WeakPolarHBondContact OD1-CD1 3.45Å; N129-D218 PolarHBondContact ND2-O 2.84Å; N129-P219 PolarHBondContact ND2-O 2.82Å; N129-L220 HydrophobicContact CB-CB 4.45Å; N129-L220 HydrophobicContact CB-CD1 3.76Å; N129-L220 PolarHBondContact ND2-N 2.97Å
130	S	96	Very high	93	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	177.6	-165.5	65.1	0	0	0	0	113.8	F128 D136 L216 N217 D218 W233	F128-S130 WeakPolarHBondContact CE1-OG 3.41Å; S130-D136 CarbonylContact C-O 3.54Å; S130-D136 WeakPolarHBondContact CA-O 3.35Å; S130-L216 CarbonylContact O-C 3.31Å; S130-L216 VanDerWaalsContact O-C 3.29Å; S130-L216 WeakPolarHBondContact O-CA 3.39Å; S130-N217 PolarHBondContact O-N 2.9Å; S130-D218 WeakPolarHBondContact O-CB 3.41Å; S130-D218 PolarHBondContact O-N 3.44Å; S130-W233 WeakPolarHBondContact OG-CZ2 3.42Å; S130-W233 PolarHBondContact OG-NE1 3.45Å
131	N	92.1	Very high	93.3	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	12%	0.121	C	C	.	.			trans	-96.7	169.8	172.6	84	9.8	0	0	0	113.2	Q133 G134 I135 D136 N215 K232	N131-Q133 VanDerWaalsContact C-N 3.32Å; N131-Q133 WeakPolarHBondContact OD1-CA 3.26Å; N131-Q133 PolarHBondContact OD1-N 3.03Å; N131-G134 PolarHBondContact OD1-N 3.23Å; N131-I135 PolarHBondContact OD1-N 2.98Å; N131-D136 HydrophobicContact CB-CB 4.1Å; N131-D136 PolarHBondContact N-O 3.46Å; N131-D136 PolarHBondContact ND2-N 3.07Å; N131-D136 PolarHBondContact ND2-OD1 3.27Å; N131-N215 WeakPolarHBondContact CB-O 3.49Å; N131-K232 PolarHBondContact O-NZ 2.79Å
132	K	86.2	Confident	93.6	Very high	137 Å²	137	23.2 Å²	23.2	60%	0.596	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.5	178.9	-78.5	174.9	-177.9	176.6	0	113	D218 K232	K132-D218 WeakPolarHBondContact CE-OD1 3.34Å; K132-D218 VanDerWaalsContact CG-CG 3.49Å; K132-D218 WeakPolarHBondContact CG-OD1 3.47Å; K132-K232 PolarHBondContact O-NZ 2.95Å
133	Q	84.5	Confident	93.8	Very high	126 Å²	126	22.3 Å²	22.3	59%	0.589	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.9	-171	-66.1	77	-0	0	0	114.6	N131 I135	N131-Q133 VanDerWaalsContact C-N 3.32Å; N131-Q133 WeakPolarHBondContact OD1-CA 3.26Å; N131-Q133 PolarHBondContact OD1-N 3.03Å; Q133-I135 HydrophobicContact CB-CD1 4.31Å; Q133-I135 HydrophobicContact CB-CG1 4.28Å
134	G	84.4	Confident	93.8	Very high	33 Å²	33	23.9 Å²	23.9	34%	0.34	12%	0.121	S	C	.	.	S	Bend	trans	83.7	24.7	-174.4	0	0	0	0	0	113.9	N131 W233	N131-G134 PolarHBondContact OD1-N 3.23Å; G134-W233 VanDerWaalsContact CA-CH2 3.43Å
135	I	86.9	Confident	93.8	Very high	84 Å²	84	23.8 Å²	23.8	43%	0.431	12%	0.12	S	C	.	.			trans	-114.9	-89.1	-178	-49.8	173.6	0	0	0	109.6	N131 Q133 F137	N131-I135 PolarHBondContact OD1-N 2.98Å; Q133-I135 HydrophobicContact CB-CD1 4.31Å; Q133-I135 HydrophobicContact CB-CG1 4.28Å; I135-F137 PolarHBondContact O-N 3.46Å
136	D	93.1	Very high	93.8	Very high	18 Å²	18	27.7 Å²	27.7	10%	0.096	14%	0.135	C	C	.	.			trans	-57.3	129	179.8	-46.4	55.6	0	0	0	111.7	S130 N131 D152 N215 L216	S130-D136 CarbonylContact C-O 3.54Å; S130-D136 WeakPolarHBondContact CA-O 3.35Å; N131-D136 HydrophobicContact CB-CB 4.1Å; N131-D136 PolarHBondContact N-O 3.46Å; N131-D136 PolarHBondContact ND2-N 3.07Å; N131-D136 PolarHBondContact ND2-OD1 3.27Å; D136-D152 WeakPolarHBondContact CA-O 3.2Å; D136-N215 HydrophobicContact CB-CB 4.39Å; D136-N215 WeakPolarHBondContact OD2-CB 3.34Å; D136-N215 PolarHBondContact OD2-N 3.37Å; D136-L216 HydrophobicContact CB-CD2 4.44Å
137	F	95.9	Very high	93.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	162.7	168.9	78.3	-81.9	0	0	0	111.6	F128 N129 I135 M139 F151 D152 S157 F214 W233 K236	F128-F137 HydrophobicContact CE2-CB 4.22Å; F128-F137 HydrophobicContact CE2-CD2 4.01Å; F128-F137 HydrophobicContact CE2-CG 4.43Å; F128-F137 HydrophobicContact CZ-CB 4.44Å; N129-F137 CarbonylContact O-C 3.57Å; N129-F137 WeakPolarHBondContact O-CA 3.02Å; I135-F137 PolarHBondContact O-N 3.46Å; F137-M139 HydrophobicContact CD2-CB 4.06Å; F137-M139 HydrophobicContact CE2-CB 4.03Å; F137-M139 HydrophobicContact CE2-CE 4.4Å; F137-F151 CarbonylContact O-C 3.6Å; F137-F151 VanDerWaalsContact O-CA 3.23Å; F137-F151 WeakPolarHBondContact O-CA 3.42Å; F137-F151 WeakPolarHBondContact O-CB 3.47Å; F137-D152 HydrophobicContact CD1-CB 3.79Å; F137-D152 HydrophobicContact CE1-CB 3.76Å; F137-D152 PolarHBondContact N-O 3.34Å; F137-D152 PolarHBondContact O-N 2.79Å; F137-S157 WeakPolarHBondContact CZ-OG 3.07Å; F137-F214 WeakPolarHBondContact O-CE1 3.42Å; F137-W233 HydrophobicContact CB-CH2 3.96Å; F137-W233 HydrophobicContact CB-CZ3 3.99Å; F137-W233 AromaticContact CD1-CZ3 3.89Å; F137-W233 HydrophobicContact CD1-CZ3 3.89Å; F137-W233 HydrophobicContact CG-CZ3 4.14Å; F137-K236 HydrophobicContact CE1-CB 4.4Å; F137-K236 HydrophobicContact CE1-CD 4.08Å; F137-K236 HydrophobicContact CE1-CG 4.32Å; F137-K236 HydrophobicContact CZ-CB 4.27Å; F137-K236 HydrophobicContact CZ-CD 4.41Å
138	I	97.2	Very high	93.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130.8	172.5	-170.2	174.1	0	0	0	108.5	M105 L107 N129 F149 L177 F214 L216	M105-I138 HydrophobicContact CE-CD1 4.46Å; M105-I138 HydrophobicContact CE-CG2 3.55Å; L107-I138 HydrophobicContact CD1-CD1 3.89Å; N129-I138 HydrophobicContact CB-CG2 3.98Å; N129-I138 PolarHBondContact N-O 3.28Å; N129-I138 PolarHBondContact O-N 3.37Å; I138-F149 HydrophobicContact CD1-CE2 4.01Å; I138-F149 HydrophobicContact CD1-CZ 4.38Å; I138-F149 HydrophobicContact CG1-CE2 3.63Å; I138-F149 HydrophobicContact CG1-CZ 4.22Å; I138-L177 HydrophobicContact CD1-CD2 3.66Å; I138-F214 HydrophobicContact CB-CE1 4.28Å; I138-F214 HydrophobicContact CD1-CE2 4.47Å; I138-F214 HydrophobicContact CD1-CZ 4.36Å; I138-L216 HydrophobicContact CG2-CD1 3.59Å; I138-L216 HydrophobicContact CG2-CD2 4.24Å
139	M	97.4	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.7	-172.4	179.3	165.8	68.7	0	0	111.9	L125 L127 F128 F137 E141 F149 S150 K236 L237	L125-M139 HydrophobicContact CD1-CG 3.53Å; L125-M139 HydrophobicContact CD1-SD 3.5Å; L125-M139 VanDerWaalsContact CD1-SD 3.5Å; L127-M139 WeakPolarHBondContact O-CA 3.32Å; F128-M139 HydrophobicContact CD2-CB 4.11Å; F128-M139 HydrophobicContact CD2-CG 4.31Å; F128-M139 HydrophobicContact CD2-SD 4.23Å; F137-M139 HydrophobicContact CD2-CB 4.06Å; F137-M139 HydrophobicContact CE2-CB 4.03Å; F137-M139 HydrophobicContact CE2-CE 4.4Å; M139-E141 HydrophobicContact CE-CG 4.35Å; M139-E141 WeakPolarHBondContact CE-OE1 3.4Å; M139-E141 HydrophobicContact CG-CB 4.49Å; M139-F149 WeakPolarHBondContact O-CA 3.31Å; M139-F149 VanDerWaalsContact O-CD2 3.31Å; M139-F149 WeakPolarHBondContact O-CD2 3.23Å; M139-S150 PolarHBondContact N-O 2.9Å; M139-S150 PolarHBondContact O-N 3.02Å; M139-K236 WeakPolarHBondContact CE-O 3.5Å; M139-L237 HydrophobicContact CE-CD2 4.23Å; M139-L237 HydrophobicContact SD-CD2 3.41Å; M139-L237 WeakPolarHBondContact SD-CD2 3.45Å
140	F	98.2	Very high	93.7	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.5	161.7	-75	-89.7	0	0	0	109.3	F115 L126 L127 L147 H148 F149 L162 V175 L177 L189	F115-F140 HydrophobicContact CE1-CD1 4.33Å; F115-F140 AromaticContact CE1-CD2 3.88Å; F115-F140 HydrophobicContact CE1-CD2 3.88Å; F115-F140 HydrophobicContact CE1-CE1 4.38Å; F115-F140 AromaticContact CE1-CE2 3.95Å; F115-F140 HydrophobicContact CE1-CE2 3.95Å; F115-F140 HydrophobicContact CE1-CG 4.07Å; F115-F140 HydrophobicContact CE1-CZ 4.19Å; F115-F140 HydrophobicContact CZ-CB 4.07Å; F115-F140 AromaticContact CZ-CD1 3.88Å; F115-F140 HydrophobicContact CZ-CD1 3.88Å; F115-F140 HydrophobicContact CZ-CD2 4.02Å; F115-F140 HydrophobicContact CZ-CE1 4.28Å; F115-F140 HydrophobicContact CZ-CE2 4.42Å; F115-F140 AromaticContact CZ-CG 3.72Å; F115-F140 HydrophobicContact CZ-CG 3.72Å; L126-F140 HydrophobicContact CB-CB 4.32Å; L126-F140 WeakPolarHBondContact CB-O 3.01Å; L126-F140 PolarHBondContact N-O 2.83Å; L127-F140 HydrophobicContact CB-CB 4.35Å; L127-F140 HydrophobicContact CD2-CD2 4.37Å; L127-F140 PolarHBondContact N-O 3.44Å; L127-F140 VanDerWaalsContact N-O 3.09Å; L127-F140 PolarHBondContact O-N 2.75Å; F140-L147 HydrophobicContact CD1-CD1 4.29Å; F140-L147 HydrophobicContact CD1-CD2 4.45Å; F140-L147 HydrophobicContact CD1-CG 4.48Å; F140-H148 WeakPolarHBondContact CA-O 3.36Å; F140-F149 HydrophobicContact CD1-CB 4.18Å; F140-F149 HydrophobicContact CD1-CD2 4.04Å; F140-F149 AromaticContact CD2-CD2 3.97Å; F140-F149 HydrophobicContact CD2-CD2 3.97Å; F140-F149 HydrophobicContact CD2-CE2 4.36Å; F140-F149 HydrophobicContact CE1-CB 3.98Å; F140-F149 AromaticContact CE1-CD2 3.63Å; F140-F149 HydrophobicContact CE1-CD2 3.63Å; F140-F149 HydrophobicContact CE1-CE2 4.43Å; F140-F149 HydrophobicContact CE1-CG 4.09Å; F140-F149 AromaticContact CE2-CD2 3.54Å; F140-F149 HydrophobicContact CE2-CD2 3.54Å; F140-F149 AromaticContact CE2-CE2 3.68Å; F140-F149 HydrophobicContact CE2-CE2 3.68Å; F140-F149 HydrophobicContact CG-CD2 4.21Å; F140-F149 AromaticContact CZ-CD2 3.36Å; F140-F149 HydrophobicContact CZ-CD2 3.36Å; F140-F149 AromaticContact CZ-CE2 3.72Å; F140-F149 HydrophobicContact CZ-CE2 3.72Å; F140-F149 HydrophobicContact CZ-CG 4.15Å; F140-L162 HydrophobicContact CD1-CD1 4.31Å; F140-L162 HydrophobicContact CE1-CD1 3.85Å; F140-V175 HydrophobicContact CD1-CG1 4.46Å; F140-V175 HydrophobicContact CE1-CG1 3.75Å; F140-V175 HydrophobicContact CZ-CG1 4.08Å; F140-L177 HydrophobicContact CE2-CD2 4.23Å; F140-L177 HydrophobicContact CZ-CB 4.22Å; F140-L177 HydrophobicContact CZ-CD2 4.23Å; F140-L189 HydrophobicContact CE1-CD1 3.92Å; F140-L189 HydrophobicContact CZ-CD1 4.01Å
141	E	97.4	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.2	178.9	64.4	-178.8	155.1	0	0	111.1	G124 L125 M139 I143 H148 N238 S239	G124-E141 WeakPolarHBondContact O-CA 3.36Å; L125-E141 HydrophobicContact CD1-CB 4.11Å; M139-E141 HydrophobicContact CE-CG 4.35Å; M139-E141 WeakPolarHBondContact CE-OE1 3.4Å; M139-E141 HydrophobicContact CG-CB 4.49Å; E141-I143 HydrophobicContact CG-CD1 4.28Å; E141-I143 HydrophobicContact CG-CG1 4.13Å; E141-H148 HydrophobicContact CG-CB 4.16Å; E141-H148 PolarHBondContact N-O 3.25Å; E141-H148 PolarHBondContact O-N 3.15Å; E141-N238 PolarHBondContact OE1-ND2 3.3Å; E141-N238 PolarHBondContact OE2-N 2.62Å; E141-S239 WeakPolarHBondContact CB-OG 3.38Å; E141-S239 VanDerWaalsContact OE2-CB 3.27Å; E141-S239 WeakPolarHBondContact OE2-CB 3.47Å; E141-S239 PolarHBondContact OE2-N 3.43Å; E141-S239 PolarHBondContact OE2-OG 2.62Å
142	L	96.2	Very high	93.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.6	168.6	-64.9	172.6	0	0	0	109.1	F117 T119 D123 G124 L126 Y146 L147 V167 T168	F117-L142 HydrophobicContact CE2-CD1 4.49Å; F117-L142 HydrophobicContact CE2-CD2 4.09Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; T119-L142 HydrophobicContact CG2-CD1 3.54Å; D123-L142 CarbonylContact C-O 3.57Å; D123-L142 VanDerWaalsContact CA-O 3.32Å; D123-L142 WeakPolarHBondContact CA-O 3.04Å; G124-L142 PolarHBondContact N-O 3.45Å; G124-L142 PolarHBondContact O-N 2.85Å; L126-L142 HydrophobicContact CD1-CD2 4.41Å; L126-L142 HydrophobicContact CD1-CG 4.19Å; L126-L142 HydrophobicContact CD2-CD1 3.93Å; L126-L142 HydrophobicContact CD2-CG 4.07Å; L126-L142 HydrophobicContact CG-CG 4.2Å; L142-Y146 WeakPolarHBondContact CA-O 3.49Å; L142-L147 HydrophobicContact CD2-CB 4.46Å; L142-L147 HydrophobicContact CD2-CD1 4.18Å; L142-V167 HydrophobicContact CD2-CG2 3.47Å; L142-V167 VanDerWaalsContact CD2-CG2 3.47Å; L142-T168 HydrophobicContact CD1-CG2 4.15Å
143	I	93.4	Very high	94	Very high	24 Å²	24	23.2 Å²	23.2	12%	0.123	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.4	173.1	-53.7	-179.5	0	0	0	107.8	D123 E141 S145 Y146 H148 N238	D123-I143 WeakPolarHBondContact OD1-CA 3.47Å; E141-I143 HydrophobicContact CG-CD1 4.28Å; E141-I143 HydrophobicContact CG-CG1 4.13Å; I143-S145 PolarHBondContact O-N 3.06Å; I143-S145 VanDerWaalsContact O-N 3.14Å; I143-Y146 PolarHBondContact N-O 3.38Å; I143-Y146 PolarHBondContact O-N 2.89Å; I143-H148 HydrophobicContact CD1-CB 4.09Å; I143-H148 HydrophobicContact CG1-CB 4.35Å; I143-N238 HydrophobicContact CD1-CB 3.62Å; I143-N238 HydrophobicContact CG1-CB 4.37Å
144	K	90.8	Very high	94.2	Very high	68 Å²	68	19.5 Å²	19.5	30%	0.296	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	42.1	177.6	-59.8	175.8	-171.8	-75.4	0	113.9	E122 D123 Y146 D602 S603	E122-K144 PolarHBondContact O-N 2.93Å; D123-K144 PolarHBondContact OD1-N 2.74Å; K144-Y146 WeakPolarHBondContact O-CD2 3.45Å; K144-Y146 VanDerWaalsContact O-CE2 3.31Å; K144-Y146 WeakPolarHBondContact O-CE2 3.13Å; K144-D602 PolarHBondContact NZ-O 2.71Å; K144-S603 WeakPolarHBondContact CE-O 3.25Å; K144-S603 WeakPolarHBondContact CE-OG 3.46Å; K144-S603 PolarHBondContact NZ-OG 2.93Å
145	S	93.9	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	4.7	-175.3	-60.8	0	0	0	0	118.2	E122 I143 K166 V167 T168	E122-S145 VanDerWaalsContact CG-OG 3.24Å; E122-S145 WeakPolarHBondContact CG-OG 3.02Å; E122-S145 WeakPolarHBondContact O-CA 3.34Å; E122-S145 PolarHBondContact O-N 3.37Å; E122-S145 PolarHBondContact OE2-OG 2.92Å; I143-S145 PolarHBondContact O-N 3.06Å; I143-S145 VanDerWaalsContact O-N 3.14Å; S145-K166 VanDerWaalsContact CB-CG 3.45Å; S145-K166 CarbonylContact O-C 3.53Å; S145-K166 WeakPolarHBondContact O-CA 3.42Å; S145-K166 PolarHBondContact OG-NZ 2.82Å; S145-V167 VanDerWaalsContact O-CG2 3.29Å; S145-V167 WeakPolarHBondContact O-CG2 3.49Å; S145-V167 PolarHBondContact O-N 2.04Å; S145-T168 WeakPolarHBondContact CB-OG1 3.35Å; S145-T168 PolarHBondContact OG-OG1 2.66Å
146	Y	96.5	Very high	94.3	Very high	85 Å²	85	16.6 Å²	16.6	33%	0.333	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.5	176.9	-58.3	-84	0	0	0	110.6	L142 I143 K144 H148 T163 Y165	L142-Y146 WeakPolarHBondContact CA-O 3.49Å; I143-Y146 PolarHBondContact N-O 3.38Å; I143-Y146 PolarHBondContact O-N 2.89Å; K144-Y146 WeakPolarHBondContact O-CD2 3.45Å; K144-Y146 VanDerWaalsContact O-CE2 3.31Å; K144-Y146 WeakPolarHBondContact O-CE2 3.13Å; Y146-H148 PolarHBondContact O-CD2 3.09Å; Y146-T163 VanDerWaalsContact CD1-O 3.28Å; Y146-T163 WeakPolarHBondContact CD1-O 3.23Å; Y146-Y165 VanDerWaalsContact CD1-O 3.22Å; Y146-Y165 WeakPolarHBondContact CD1-O 3.35Å
147	L	97.8	Very high	94.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.6	172.9	-174.4	70.6	0	0	0	109.9	F117 L126 F140 L142 L162 T163 V167 V175 I191	F117-L147 HydrophobicContact CE1-CD1 4.18Å; F117-L147 HydrophobicContact CE1-CD2 4.38Å; F117-L147 HydrophobicContact CZ-CD1 4.18Å; L126-L147 HydrophobicContact CD1-CD1 3.58Å; F140-L147 HydrophobicContact CD1-CD1 4.29Å; F140-L147 HydrophobicContact CD1-CD2 4.45Å; F140-L147 HydrophobicContact CD1-CG 4.48Å; L142-L147 HydrophobicContact CD2-CB 4.46Å; L142-L147 HydrophobicContact CD2-CD1 4.18Å; L147-L162 HydrophobicContact CD2-CD1 3.89Å; L147-L162 HydrophobicContact CG-CD1 4.09Å; L147-L162 WeakPolarHBondContact O-CB 3.17Å; L147-L162 PolarHBondContact O-N 2.79Å; L147-T163 HydrophobicContact CB-CG2 3.84Å; L147-T163 PolarHBondContact N-OG1 2.03Å; L147-V167 HydrophobicContact CB-CG2 4.1Å; L147-V175 HydrophobicContact CD2-CG1 4.4Å; L147-V175 HydrophobicContact CD2-CG2 3.64Å; L147-I191 HydrophobicContact CD2-CG1 4.17Å
148	H	97.4	Very high	94	Very high	25 Å²	25	18.8 Å²	18.8	12%	0.116	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.2	175.2	-75.7	-119.9	0	0	0	110.8	F140 E141 I143 Y146 H159 Y160 A161	F140-H148 WeakPolarHBondContact CA-O 3.36Å; E141-H148 HydrophobicContact CG-CB 4.16Å; E141-H148 PolarHBondContact N-O 3.25Å; E141-H148 PolarHBondContact O-N 3.15Å; I143-H148 HydrophobicContact CD1-CB 4.09Å; I143-H148 HydrophobicContact CG1-CB 4.35Å; Y146-H148 PolarHBondContact O-CD2 3.09Å; H148-H159 AromaticContact CE1-NE2 3.73Å; H148-H159 AromaticContact CG-CE1 3.99Å; H148-H159 AromaticContact CG-NE2 3.98Å; H148-H159 AromaticContact ND1-CE1 3.33Å; H148-H159 PolarHBondContact ND1-CE1 2.77Å; H148-H159 VanDerWaalsContact ND1-CE1 3.33Å; H148-H159 AromaticContact ND1-NE2 2.92Å; H148-H159 PolarHBondContact ND1-NE2 2.81Å; H148-Y160 WeakPolarHBondContact CA-O 3.41Å; H148-A161 VanDerWaalsContact CE1-CB 3.43Å; H148-A161 WeakPolarHBondContact CE1-CB 3.37Å
149	F	97.7	Very high	93.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.7	177.5	171	-112.1	0	0	0	110.2	I138 M139 F140 F151 H159 Y160 L162 L177 L187 L189 I203	I138-F149 HydrophobicContact CD1-CE2 4.01Å; I138-F149 HydrophobicContact CD1-CZ 4.38Å; I138-F149 HydrophobicContact CG1-CE2 3.63Å; I138-F149 HydrophobicContact CG1-CZ 4.22Å; M139-F149 WeakPolarHBondContact O-CA 3.31Å; M139-F149 VanDerWaalsContact O-CD2 3.31Å; M139-F149 WeakPolarHBondContact O-CD2 3.23Å; F140-F149 HydrophobicContact CD1-CB 4.18Å; F140-F149 HydrophobicContact CD1-CD2 4.04Å; F140-F149 AromaticContact CD2-CD2 3.97Å; F140-F149 HydrophobicContact CD2-CD2 3.97Å; F140-F149 HydrophobicContact CD2-CE2 4.36Å; F140-F149 HydrophobicContact CE1-CB 3.98Å; F140-F149 AromaticContact CE1-CD2 3.63Å; F140-F149 HydrophobicContact CE1-CD2 3.63Å; F140-F149 HydrophobicContact CE1-CE2 4.43Å; F140-F149 HydrophobicContact CE1-CG 4.09Å; F140-F149 AromaticContact CE2-CD2 3.54Å; F140-F149 HydrophobicContact CE2-CD2 3.54Å; F140-F149 AromaticContact CE2-CE2 3.68Å; F140-F149 HydrophobicContact CE2-CE2 3.68Å; F140-F149 HydrophobicContact CG-CD2 4.21Å; F140-F149 AromaticContact CZ-CD2 3.36Å; F140-F149 HydrophobicContact CZ-CD2 3.36Å; F140-F149 AromaticContact CZ-CE2 3.72Å; F140-F149 HydrophobicContact CZ-CE2 3.72Å; F140-F149 HydrophobicContact CZ-CG 4.15Å; F149-F151 AromaticContact CD1-CD1 3.9Å; F149-F151 HydrophobicContact CD1-CD1 3.9Å; F149-F151 HydrophobicContact CD1-CE1 4.31Å; F149-F151 HydrophobicContact CE1-CB 4.47Å; F149-F151 AromaticContact CE1-CD1 3.27Å; F149-F151 HydrophobicContact CE1-CD1 3.27Å; F149-F151 AromaticContact CE1-CE1 3.68Å; F149-F151 HydrophobicContact CE1-CE1 3.68Å; F149-F151 HydrophobicContact CE1-CG 4.06Å; F149-F151 HydrophobicContact CZ-CB 4.1Å; F149-F151 AromaticContact CZ-CD1 3.74Å; F149-F151 HydrophobicContact CZ-CD1 3.74Å; F149-F151 HydrophobicContact CZ-CE1 4.45Å; F149-F151 HydrophobicContact CZ-CG 4.06Å; F149-H159 WeakPolarHBondContact O-CA 3.47Å; F149-Y160 PolarHBondContact N-O 2.83Å; F149-Y160 PolarHBondContact O-N 3.38Å; F149-L162 HydrophobicContact CB-CD1 3.47Å; F149-L162 VanDerWaalsContact CB-CD1 3.47Å; F149-L162 HydrophobicContact CB-CD2 4.03Å; F149-L162 HydrophobicContact CB-CG 3.84Å; F149-L162 HydrophobicContact CG-CD1 4.47Å; F149-L177 HydrophobicContact CE1-CD1 4.47Å; F149-L177 HydrophobicContact CE2-CD2 3.74Å; F149-L177 HydrophobicContact CZ-CD1 4.16Å; F149-L177 HydrophobicContact CZ-CD2 3.72Å; F149-L187 HydrophobicContact CE1-CD1 4.09Å; F149-L187 HydrophobicContact CZ-CD1 4.16Å; F149-L189 HydrophobicContact CD1-CD1 4.44Å; F149-L189 HydrophobicContact CG-CD1 4.41Å; F149-I203 HydrophobicContact CD1-CD1 3.81Å; F149-I203 HydrophobicContact CE1-CD1 3.99Å
150	S	96	Very high	93.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.5	-179.3	-47.4	0	0	0	0	110	M139 Q158 H159	M139-S150 PolarHBondContact N-O 2.9Å; M139-S150 PolarHBondContact O-N 3.02Å; S150-Q158 VanDerWaalsContact CA-O 3.3Å; S150-Q158 WeakPolarHBondContact CA-O 3.41Å; S150-H159 PolarHBondContact OG-ND1 3.21Å
151	F	95.6	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157.6	-178.3	73.9	-81.1	0	0	0	112.8	F137 F149 M153 S157 Q158 Y160 L187 I203 V205 F214	F137-F151 CarbonylContact O-C 3.6Å; F137-F151 VanDerWaalsContact O-CA 3.23Å; F137-F151 WeakPolarHBondContact O-CA 3.42Å; F137-F151 WeakPolarHBondContact O-CB 3.47Å; F149-F151 AromaticContact CD1-CD1 3.9Å; F149-F151 HydrophobicContact CD1-CD1 3.9Å; F149-F151 HydrophobicContact CD1-CE1 4.31Å; F149-F151 HydrophobicContact CE1-CB 4.47Å; F149-F151 AromaticContact CE1-CD1 3.27Å; F149-F151 HydrophobicContact CE1-CD1 3.27Å; F149-F151 AromaticContact CE1-CE1 3.68Å; F149-F151 HydrophobicContact CE1-CE1 3.68Å; F149-F151 HydrophobicContact CE1-CG 4.06Å; F149-F151 HydrophobicContact CZ-CB 4.1Å; F149-F151 AromaticContact CZ-CD1 3.74Å; F149-F151 HydrophobicContact CZ-CD1 3.74Å; F149-F151 HydrophobicContact CZ-CE1 4.45Å; F149-F151 HydrophobicContact CZ-CG 4.06Å; F151-M153 HydrophobicContact CD2-CG 4.01Å; F151-M153 HydrophobicContact CD2-SD 4.25Å; F151-M153 HydrophobicContact CE2-CG 4.28Å; F151-M153 HydrophobicContact CE2-SD 4.08Å; F151-S157 CarbonylContact O-C 3.54Å; F151-S157 WeakPolarHBondContact O-CA 3.02Å; F151-Q158 HydrophobicContact CD1-CB 4.21Å; F151-Q158 HydrophobicContact CE1-CB 3.75Å; F151-Q158 HydrophobicContact CZ-CB 4.01Å; F151-Q158 HydrophobicContact CZ-CG 4.41Å; F151-Q158 PolarHBondContact N-O 2.61Å; F151-Q158 PolarHBondContact O-N 3.26Å; F151-Y160 HydrophobicContact CE1-CD2 4.25Å; F151-Y160 AromaticContact CE1-CE2 3.99Å; F151-Y160 HydrophobicContact CE1-CE2 3.99Å; F151-L187 HydrophobicContact CD1-CD1 4.47Å; F151-L187 HydrophobicContact CD2-CD1 4.27Å; F151-L187 HydrophobicContact CE1-CD1 4.11Å; F151-L187 HydrophobicContact CE2-CD1 3.88Å; F151-L187 HydrophobicContact CZ-CD1 3.79Å; F151-I203 HydrophobicContact CE1-CG2 3.87Å; F151-I203 HydrophobicContact CZ-CG2 3.85Å; F151-V205 HydrophobicContact CE2-CG2 4.25Å; F151-V205 HydrophobicContact CZ-CG2 4.49Å; F151-F214 HydrophobicContact CB-CE1 3.93Å; F151-F214 HydrophobicContact CB-CZ 4.01Å; F151-F214 AromaticContact CD2-CE1 3.92Å; F151-F214 HydrophobicContact CD2-CE1 3.92Å; F151-F214 AromaticContact CD2-CZ 3.67Å; F151-F214 HydrophobicContact CD2-CZ 3.67Å; F151-F214 HydrophobicContact CG-CE1 4.37Å; F151-F214 HydrophobicContact CG-CZ 4.12Å
152	D	93.3	Very high	93.5	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.9	167.4	-160.9	-26.8	0	0	0	109.2	D136 F137 G154 S155 G156 S157 F214	D136-D152 WeakPolarHBondContact CA-O 3.2Å; F137-D152 HydrophobicContact CD1-CB 3.79Å; F137-D152 HydrophobicContact CE1-CB 3.76Å; F137-D152 PolarHBondContact N-O 3.34Å; F137-D152 PolarHBondContact O-N 2.79Å; D152-G154 WeakPolarHBondContact OD1-CA 3.31Å; D152-G154 PolarHBondContact OD1-N 2.83Å; D152-S155 PolarHBondContact OD1-N 3.34Å; D152-G156 PolarHBondContact OD1-N 3.33Å; D152-G156 WeakPolarHBondContact OD2-CA 3.36Å; D152-G156 PolarHBondContact OD2-N 2.79Å; D152-S157 VanDerWaalsContact CG-N 3.33Å; D152-S157 PolarHBondContact OD2-N 2.99Å; D152-F214 WeakPolarHBondContact O-CE1 3.5Å
153	M	91.4	Very high	93.4	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.034	17%	0.166	C	C	.	.	S	Bend	trans	-121.8	24.6	178	-66	178.8	78.9	0	0	111.3	F151 V205 S211 F214	F151-M153 HydrophobicContact CD2-CG 4.01Å; F151-M153 HydrophobicContact CD2-SD 4.25Å; F151-M153 HydrophobicContact CE2-CG 4.28Å; F151-M153 HydrophobicContact CE2-SD 4.08Å; M153-V205 HydrophobicContact SD-CG1 4.05Å; M153-V205 HydrophobicContact SD-CG2 3.93Å; M153-S211 WeakPolarHBondContact O-CB 3.41Å; M153-S211 PolarHBondContact O-OG 3.1Å; M153-F214 HydrophobicContact CE-CD2 3.86Å; M153-F214 HydrophobicContact CE-CE2 3.93Å; M153-F214 HydrophobicContact CE-CG 4.26Å; M153-F214 HydrophobicContact CE-CZ 4.39Å; M153-F214 HydrophobicContact CG-CD1 3.6Å; M153-F214 HydrophobicContact CG-CD2 4.27Å; M153-F214 HydrophobicContact CG-CE1 3.29Å; M153-F214 HydrophobicContact CG-CE2 4Å; M153-F214 HydrophobicContact CG-CG 4.08Å; M153-F214 HydrophobicContact CG-CZ 3.52Å; M153-F214 HydrophobicContact SD-CD2 4.18Å; M153-F214 HydrophobicContact SD-CE1 4.07Å; M153-F214 HydrophobicContact SD-CE2 3.68Å; M153-F214 HydrophobicContact SD-CZ 3.62Å
154	G	87.9	Confident	93.2	Very high	47 Å²	47	34.7 Å²	34.7	49%	0.485	20%	0.2	S	C	.	.	S	Bend	trans	91.8	-0.4	-177.6	0	0	0	0	0	114.9	D152	D152-G154 WeakPolarHBondContact OD1-CA 3.31Å; D152-G154 PolarHBondContact OD1-N 2.83Å
155	S	86.6	Confident	93.4	Very high	25 Å²	25	34 Å²	34	18%	0.175	20%	0.196	C	C	.	.	S	Bend	trans	-102.2	-11.2	178.7	50.1	0	0	0	0	114	D152 I206 S211	D152-S155 PolarHBondContact OD1-N 3.34Å; S155-I206 WeakPolarHBondContact CB-O 3.32Å; S155-I206 PolarHBondContact OG-O 2.86Å; S155-S211 WeakPolarHBondContact CB-OG 3.41Å; S155-S211 PolarHBondContact N-OG 2.98Å; S155-S211 VanDerWaalsContact N-OG 3.09Å; S155-S211 PolarHBondContact OG-OG 3.49Å
156	G	87.1	Confident	93.4	Very high	32 Å²	32	38.1 Å²	38.1	33%	0.33	21%	0.214	S	C	.	.			trans	119.2	134.9	-175.6	0	0	0	0	0	112.3	D152 Q158	D152-G156 PolarHBondContact OD1-N 3.33Å; D152-G156 WeakPolarHBondContact OD2-CA 3.36Å; D152-G156 PolarHBondContact OD2-N 2.79Å; G156-Q158 PolarHBondContact O-N 3.1Å
157	S	89.8	Confident	93.4	Very high	55 Å²	55	34.1 Å²	34.1	39%	0.385	20%	0.198	S	C	.	.			trans	-50.5	126.9	180	-169.5	0	0	0	0	112.9	F137 F151 D152	F137-S157 WeakPolarHBondContact CZ-OG 3.07Å; F151-S157 CarbonylContact O-C 3.54Å; F151-S157 WeakPolarHBondContact O-CA 3.02Å; D152-S157 VanDerWaalsContact CG-N 3.33Å; D152-S157 PolarHBondContact OD2-N 2.99Å
158	Q	92.9	Very high	93.2	Very high	9 Å²	9	34.8 Å²	34.8	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.7	169.6	-71.7	158.4	76.5	0	0	109.7	S150 F151 G156 Y160 P204 I206	S150-Q158 VanDerWaalsContact CA-O 3.3Å; S150-Q158 WeakPolarHBondContact CA-O 3.41Å; F151-Q158 HydrophobicContact CD1-CB 4.21Å; F151-Q158 HydrophobicContact CE1-CB 3.75Å; F151-Q158 HydrophobicContact CZ-CB 4.01Å; F151-Q158 HydrophobicContact CZ-CG 4.41Å; F151-Q158 PolarHBondContact N-O 2.61Å; F151-Q158 PolarHBondContact O-N 3.26Å; G156-Q158 PolarHBondContact O-N 3.1Å; Q158-Y160 HydrophobicContact CB-CE2 3.86Å; Q158-P204 PolarHBondContact OE1-O 2.95Å; Q158-I206 HydrophobicContact CG-CD1 3.65Å; Q158-I206 HydrophobicContact CG-CG1 4.09Å
159	H	93.8	Very high	93	Very high	64 Å²	64	36.8 Å²	36.8	30%	0.296	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	128.4	-177.2	176.6	89.9	0	0	0	109.8	H148 F149 S150 N238	H148-H159 AromaticContact CE1-NE2 3.73Å; H148-H159 AromaticContact CG-CE1 3.99Å; H148-H159 AromaticContact CG-NE2 3.98Å; H148-H159 AromaticContact ND1-CE1 3.33Å; H148-H159 PolarHBondContact ND1-CE1 2.77Å; H148-H159 VanDerWaalsContact ND1-CE1 3.33Å; H148-H159 AromaticContact ND1-NE2 2.92Å; H148-H159 PolarHBondContact ND1-NE2 2.81Å; F149-H159 WeakPolarHBondContact O-CA 3.47Å; S150-H159 PolarHBondContact OG-ND1 3.21Å; H159-N238 PolarHBondContact CE1-ND2 3.38Å
160	Y	95.7	Very high	92.7	Very high	51 Å²	51	39.2 Å²	39.2	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126	-177.2	-66.6	-82.5	0	0	0	110.6	H148 F149 F151 Q158 L162 I203	H148-Y160 WeakPolarHBondContact CA-O 3.41Å; F149-Y160 PolarHBondContact N-O 2.83Å; F149-Y160 PolarHBondContact O-N 3.38Å; F151-Y160 HydrophobicContact CE1-CD2 4.25Å; F151-Y160 AromaticContact CE1-CE2 3.99Å; F151-Y160 HydrophobicContact CE1-CE2 3.99Å; Q158-Y160 HydrophobicContact CB-CE2 3.86Å; Y160-L162 PolarHBondContact O-N 3.14Å; Y160-I203 HydrophobicContact CD1-CG1 4.45Å; Y160-I203 HydrophobicContact CD2-CD1 3.69Å; Y160-I203 HydrophobicContact CD2-CG1 4.06Å; Y160-I203 HydrophobicContact CD2-CG2 4.05Å; Y160-I203 HydrophobicContact CE2-CB 4.33Å; Y160-I203 HydrophobicContact CE2-CD1 4.13Å; Y160-I203 HydrophobicContact CE2-CG1 4.1Å; Y160-I203 HydrophobicContact CE2-CG2 3.35Å; Y160-I203 HydrophobicContact CG-CD1 3.99Å; Y160-I203 HydrophobicContact CG-CG1 4.25Å
161	A	95.2	Very high	92.6	Very high	62 Å²	62	45 Å²	45	51%	0.512	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.9	160.5	0	0	0	0	0	107.7	H148	H148-A161 VanDerWaalsContact CE1-CB 3.43Å; H148-A161 WeakPolarHBondContact CE1-CB 3.37Å
162	L	95.1	Very high	92.6	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	27%	0.267	C	S	.	.			trans	-95.9	-33	-169.3	-63.4	-178	0	0	0	114	F140 L147 F149 Y160 L189 I191 I201	F140-L162 HydrophobicContact CD1-CD1 4.31Å; F140-L162 HydrophobicContact CE1-CD1 3.85Å; L147-L162 HydrophobicContact CD2-CD1 3.89Å; L147-L162 HydrophobicContact CG-CD1 4.09Å; L147-L162 WeakPolarHBondContact O-CB 3.17Å; L147-L162 PolarHBondContact O-N 2.79Å; F149-L162 HydrophobicContact CB-CD1 3.47Å; F149-L162 VanDerWaalsContact CB-CD1 3.47Å; F149-L162 HydrophobicContact CB-CD2 4.03Å; F149-L162 HydrophobicContact CB-CG 3.84Å; F149-L162 HydrophobicContact CG-CD1 4.47Å; Y160-L162 PolarHBondContact O-N 3.14Å; L162-L189 HydrophobicContact CD1-CD1 3.5Å; L162-L189 HydrophobicContact CD1-CD2 3.77Å; L162-L189 HydrophobicContact CD1-CG 4.33Å; L162-L189 HydrophobicContact CD2-CD1 4Å; L162-L189 HydrophobicContact CD2-CD2 4.22Å; L162-L189 HydrophobicContact CG-CD1 4.41Å; L162-L189 HydrophobicContact CG-CD2 4.45Å; L162-I191 HydrophobicContact CB-CD1 4.05Å; L162-I201 HydrophobicContact CB-CD1 4.38Å; L162-I201 HydrophobicContact CD2-CD1 3.92Å; L162-I201 WeakPolarHBondContact O-CD1 3.37Å
163	T	94.1	Very high	92.8	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.043	27%	0.265	C	S	.	.			trans	-112.7	138.3	-174	54.1	0	0	0	0	111.2	Y146 L147 Y165 V167 I191 Q199	Y146-T163 VanDerWaalsContact CD1-O 3.28Å; Y146-T163 WeakPolarHBondContact CD1-O 3.23Å; L147-T163 HydrophobicContact CB-CG2 3.84Å; L147-T163 PolarHBondContact N-OG1 2.03Å; T163-Y165 HydrophobicContact CG2-CE2 4.47Å; T163-Y165 PolarHBondContact OG1-O 2.8Å; T163-V167 HydrophobicContact CG2-CG1 3.8Å; T163-I191 HydrophobicContact CG2-CB 4.47Å; T163-I191 HydrophobicContact CG2-CD1 4.13Å; T163-I191 HydrophobicContact CG2-CG1 4Å; T163-I191 HydrophobicContact CG2-CG2 4.18Å; T163-Q199 VanDerWaalsContact CA-OE1 3.3Å
164	M	89.1	Confident	93.1	Very high	170 Å²	170	49.5 Å²	49.5	84%	0.837	27%	0.274	S	S	*	.	S	Bend	trans	-93.8	-6.4	172.5	-69.5	-170.3	170	0	0	113.6
165	Y	93.7	Very high	93.5	Very high	54 Å²	54	47.3 Å²	47.3	21%	0.212	25%	0.251	C	S	.	.	S	Bend	trans	-111.8	163.7	171.4	52.1	-102.3	0	0	0	111.6	Y146 T163 V167 D192 D197 Q199	Y146-Y165 VanDerWaalsContact CD1-O 3.22Å; Y146-Y165 WeakPolarHBondContact CD1-O 3.35Å; T163-Y165 HydrophobicContact CG2-CE2 4.47Å; T163-Y165 PolarHBondContact OG1-O 2.8Å; Y165-V167 HydrophobicContact CD2-CG1 3.93Å; Y165-V167 HydrophobicContact CE2-CG1 3.63Å; Y165-D192 PolarHBondContact OH-OD2 2.89Å; Y165-D197 HydrophobicContact CE1-CB 4.14Å; Y165-D197 WeakPolarHBondContact CE1-O 3.31Å; Y165-D197 PolarHBondContact OH-O 2.74Å; Y165-Q199 HydrophobicContact CE1-CG 3.68Å
166	K	95.2	Very high	94	Very high	87 Å²	87	47 Å²	47	38%	0.378	25%	0.247	S	C	.	.			trans	-73.6	124.1	173.5	-71.7	-159.4	158	-137.6	0	110.2	E122 S145	E122-K166 IonicContact OE1-NZ 2.77Å; E122-K166 PolarHBondContact OE1-NZ 3.48Å; E122-K166 IonicContact OE2-NZ 2.72Å; E122-K166 PolarHBondContact OE2-NZ 2.94Å; S145-K166 VanDerWaalsContact CB-CG 3.45Å; S145-K166 CarbonylContact O-C 3.53Å; S145-K166 WeakPolarHBondContact O-CA 3.42Å; S145-K166 PolarHBondContact OG-NZ 2.82Å
167	V	95.9	Very high	94.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-97	20.8	176.9	-72.2	0	0	0	0	113.6	F117 L142 S145 L147 T163 Y165 H173	F117-V167 HydrophobicContact CE2-CB 4.08Å; F117-V167 HydrophobicContact CE2-CG2 4.1Å; F117-V167 HydrophobicContact CZ-CB 3.85Å; F117-V167 HydrophobicContact CZ-CG1 4.39Å; F117-V167 HydrophobicContact CZ-CG2 3.9Å; L142-V167 HydrophobicContact CD2-CG2 3.47Å; L142-V167 VanDerWaalsContact CD2-CG2 3.47Å; S145-V167 VanDerWaalsContact O-CG2 3.29Å; S145-V167 WeakPolarHBondContact O-CG2 3.49Å; S145-V167 PolarHBondContact O-N 2.04Å; L147-V167 HydrophobicContact CB-CG2 4.1Å; T163-V167 HydrophobicContact CG2-CG1 3.8Å; Y165-V167 HydrophobicContact CD2-CG1 3.93Å; Y165-V167 HydrophobicContact CE2-CG1 3.63Å; V167-H173 WeakPolarHBondContact CA-NE2 3.28Å; V167-H173 PolarHBondContact O-CD2 2.8Å; V167-H173 VanDerWaalsContact O-CD2 3.31Å
168	T	93.7	Very high	94.8	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.092	22%	0.215	C	C	.	.			trans	-118.8	30.8	-176.6	69.5	0	0	0	0	110.9	T119 Q121 L142 S145 S170	T119-T168 HydrophobicContact CG2-CG2 4.19Å; T119-T168 CarbonylContact O-C 3.48Å; T119-T168 VanDerWaalsContact O-CA 3.3Å; T119-T168 WeakPolarHBondContact O-CA 3.46Å; Q121-T168 WeakPolarHBondContact O-CG2 3.44Å; L142-T168 HydrophobicContact CD1-CG2 4.15Å; S145-T168 WeakPolarHBondContact CB-OG1 3.35Å; S145-T168 PolarHBondContact OG-OG1 2.66Å; T168-S170 PolarHBondContact O-N 2.91Å
169	D	93.1	Very high	94.8	Very high	67 Å²	67	42.8 Å²	42.8	36%	0.358	21%	0.213	S	C	.	.	S	Bend	trans	-86.1	10.1	-177.8	74.6	-11.4	0	0	0	112.8	K171 H173	D169-K171 VanDerWaalsContact C-N 3.28Å; D169-K171 PolarHBondContact O-N 2.75Å; D169-K171 VanDerWaalsContact OD1-CB 3.3Å; D169-K171 WeakPolarHBondContact OD1-CB 3.43Å; D169-K171 WeakPolarHBondContact OD1-CG 3.44Å; D169-K171 PolarHBondContact OD1-N 2.85Å; D169-K171 IonicContact OD2-NZ 2.65Å; D169-K171 PolarHBondContact OD2-NZ 2.91Å; D169-H173 IonicContact OD1-NE2 2.7Å; D169-H173 PolarHBondContact OD1-NE2 2.87Å
170	S	91.9	Very high	94.6	Very high	51 Å²	51	45.4 Å²	45.4	36%	0.357	23%	0.228	S	C	.	.	S	Bend	trans	60.8	26.1	-173.4	-53.3	0	0	0	0	115.2	R118 T119 T168	R118-S170 VanDerWaalsContact CZ-O 3.24Å; R118-S170 PolarHBondContact NE-O 3.2Å; R118-S170 PolarHBondContact NH2-O 3.21Å; T119-S170 WeakPolarHBondContact O-CA 3.38Å; T119-S170 PolarHBondContact O-N 3.3Å; T119-S170 VanDerWaalsContact O-N 3.12Å; T168-S170 PolarHBondContact O-N 2.91Å
171	K	94.3	Very high	94.1	Very high	125 Å²	125	45.3 Å²	45.3	54%	0.543	23%	0.231	S	C	.	.	S	Bend	trans	-96	173.9	160.6	-57	-159.1	-147.3	89.5	0	111.6	R118 D169	R118-K171 WeakPolarHBondContact CA-O 3.4Å; R118-K171 WeakPolarHBondContact CB-O 3.5Å; R118-K171 VanDerWaalsContact CG-O 3.29Å; R118-K171 WeakPolarHBondContact CG-O 3.4Å; D169-K171 VanDerWaalsContact C-N 3.28Å; D169-K171 PolarHBondContact O-N 2.75Å; D169-K171 VanDerWaalsContact OD1-CB 3.3Å; D169-K171 WeakPolarHBondContact OD1-CB 3.43Å; D169-K171 WeakPolarHBondContact OD1-CG 3.44Å; D169-K171 PolarHBondContact OD1-N 2.85Å; D169-K171 IonicContact OD2-NZ 2.65Å; D169-K171 PolarHBondContact OD2-NZ 2.91Å
172	W	95.3	Very high	93.3	Very high	60 Å²	60	45 Å²	45	23%	0.227	22%	0.22	C	C	.	.			trans	-86.6	124	170.6	-78.8	107.7	0	0	0	110.1	H87 F117 R118 C246 C285	H87-W172 HydrophobicContact CB-CD2 4.37Å; H87-W172 HydrophobicContact CB-CE3 4.48Å; H87-W172 HydrophobicContact CB-CH2 4.02Å; H87-W172 HydrophobicContact CB-CZ2 3.88Å; H87-W172 HydrophobicContact CB-CZ3 4.33Å; H87-W172 AromaticContact CD2-CD1 3.51Å; H87-W172 AromaticContact CD2-CD2 3.66Å; H87-W172 AromaticContact CD2-CE2 3.63Å; H87-W172 AromaticContact CD2-CG 3.57Å; H87-W172 AromaticContact CD2-NE1 3.56Å; H87-W172 AromaticContact CE1-CG 3.8Å; H87-W172 AromaticContact CG-CD2 3.77Å; H87-W172 AromaticContact CG-CE2 3.83Å; H87-W172 WeakPolarHBondContact NE2-CB 3.5Å; H87-W172 AromaticContact NE2-CD1 3.55Å; H87-W172 AromaticContact NE2-CD2 3.87Å; H87-W172 AromaticContact NE2-CG 3.36Å; F117-W172 WeakPolarHBondContact O-CA 3.49Å; R118-W172 HydrophobicContact CB-CD2 3.78Å; R118-W172 HydrophobicContact CB-CE3 3.78Å; R118-W172 HydrophobicContact CB-CG 4.2Å; R118-W172 HydrophobicContact CB-CZ3 4.24Å; W172-C246 HydrophobicContact CH2-CB 3.57Å; W172-C246 HydrophobicContact CZ2-CB 4.02Å; W172-C246 HydrophobicContact CZ3-CB 4.1Å; W172-C285 HydrophobicContact CH2-CB 4.13Å; W172-C285 HydrophobicContact CZ2-CB 3.53Å; W172-C285 VanDerWaalsContact CZ2-SG 3.53Å
173	H	97	Very high	92.7	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.8	167.8	-63.1	-74.1	0	0	0	109.9	S116 F117 V167 D169 D192	S116-H173 CarbonylContact C-O 3.49Å; S116-H173 WeakPolarHBondContact CA-O 3.19Å; S116-H173 WeakPolarHBondContact CB-O 3.19Å; F117-H173 HydrophobicContact CD1-CB 4.29Å; F117-H173 HydrophobicContact CE1-CB 3.75Å; F117-H173 HydrophobicContact CE2-CB 4.36Å; F117-H173 HydrophobicContact CZ-CB 3.79Å; F117-H173 PolarHBondContact N-O 3.07Å; F117-H173 PolarHBondContact O-N 3.47Å; V167-H173 WeakPolarHBondContact CA-NE2 3.28Å; V167-H173 PolarHBondContact O-CD2 2.8Å; V167-H173 VanDerWaalsContact O-CD2 3.31Å; D169-H173 IonicContact OD1-NE2 2.7Å; D169-H173 PolarHBondContact OD1-NE2 2.87Å; H173-D192 WeakPolarHBondContact CA-OD1 3.47Å; H173-D192 IonicContact CE1-OD2 3.66Å; H173-D192 IonicContact CG-OD2 2.62Å; H173-D192 IonicContact ND1-OD1 2.68Å; H173-D192 IonicContact ND1-OD2 2.85Å; H173-D192 PolarHBondContact ND1-OD2 3.2Å
174	H	96.9	Very high	92.2	Very high	46 Å²	46	58.9 Å²	58.9	21%	0.213	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.8	176.6	-174.6	43.1	0	0	0	110.3	F115 S116 I191 D192 N249	F115-H174 WeakPolarHBondContact O-CA 3.13Å; F115-H174 PolarHBondContact O-ND1 2.84Å; S116-H174 PolarHBondContact OG-ND1 2.81Å; H174-I191 CarbonylContact O-C 3.51Å; H174-I191 WeakPolarHBondContact O-CA 3.47Å; H174-D192 PolarHBondContact N-OD1 3.45Å; H174-D192 PolarHBondContact O-N 3.04Å; H174-N249 PolarHBondContact CE1-ND2 3.26Å
175	V	97.8	Very high	92.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.2	179.3	-175.3	0	0	0	0	108.6	Q114 F115 F117 F140 L147 Y190	Q114-V175 CarbonylContact C-O 3.51Å; Q114-V175 VanDerWaalsContact CA-O 3.23Å; Q114-V175 WeakPolarHBondContact CA-O 3.37Å; F115-V175 HydrophobicContact CD1-CB 4.15Å; F115-V175 HydrophobicContact CD2-CB 4.36Å; F115-V175 HydrophobicContact CD2-CG2 4.44Å; F115-V175 HydrophobicContact CE1-CB 3.76Å; F115-V175 HydrophobicContact CE1-CG1 3.79Å; F115-V175 HydrophobicContact CE1-CG2 4.42Å; F115-V175 HydrophobicContact CE2-CB 3.98Å; F115-V175 HydrophobicContact CE2-CG2 3.82Å; F115-V175 HydrophobicContact CG-CB 4.44Å; F115-V175 HydrophobicContact CZ-CB 3.66Å; F115-V175 HydrophobicContact CZ-CG1 3.85Å; F115-V175 HydrophobicContact CZ-CG2 3.81Å; F115-V175 PolarHBondContact N-O 2.82Å; F115-V175 PolarHBondContact O-N 2.83Å; F117-V175 HydrophobicContact CD1-CG2 4.17Å; F117-V175 HydrophobicContact CE1-CG2 3.74Å; F140-V175 HydrophobicContact CD1-CG1 4.46Å; F140-V175 HydrophobicContact CE1-CG1 3.75Å; F140-V175 HydrophobicContact CZ-CG1 4.08Å; L147-V175 HydrophobicContact CD2-CG1 4.4Å; L147-V175 HydrophobicContact CD2-CG2 3.64Å; V175-Y190 WeakPolarHBondContact CA-O 3.13Å
176	E	97.2	Very high	92.1	Very high	19 Å²	19	49.6 Å²	49.6	9%	0.089	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.1	170.6	166.3	164.2	-121.7	0	0	109.2	N112 Q114 L189 Y190 R193	N112-E176 PolarHBondContact ND2-OE1 2.81Å; Q114-E176 HydrophobicContact CG-CB 4.12Å; Q114-E176 HydrophobicContact CG-CG 4.09Å; Q114-E176 PolarHBondContact NE2-OE1 3.07Å; E176-L189 CarbonylContact O-C 3.53Å; E176-L189 VanDerWaalsContact O-CA 3.29Å; E176-L189 WeakPolarHBondContact O-CA 3.38Å; E176-Y190 PolarHBondContact N-O 3.5Å; E176-Y190 PolarHBondContact O-N 3.47Å; E176-R193 WeakPolarHBondContact OE2-CD 3.43Å; E176-R193 IonicContact OE2-CZ 2.71Å; E176-R193 IonicContact OE2-NE 3.87Å; E176-R193 IonicContact OE2-NH1 3.03Å; E176-R193 PolarHBondContact OE2-NH1 3.02Å
177	L	97.4	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.7	168.6	171	67.8	0	0	0	108.8	F111 N112 V113 I138 F140 F149 L187 L189	F111-L177 HydrophobicContact CE2-CD2 4.02Å; F111-L177 HydrophobicContact CE2-CG 4.01Å; F111-L177 HydrophobicContact CZ-CD2 4.47Å; N112-L177 CarbonylContact C-O 3.59Å; N112-L177 WeakPolarHBondContact CA-O 3.27Å; V113-L177 PolarHBondContact N-O 3.2Å; V113-L177 PolarHBondContact O-N 3.22Å; I138-L177 HydrophobicContact CD1-CD2 3.66Å; F140-L177 HydrophobicContact CE2-CD2 4.23Å; F140-L177 HydrophobicContact CZ-CB 4.22Å; F140-L177 HydrophobicContact CZ-CD2 4.23Å; F149-L177 HydrophobicContact CE1-CD1 4.47Å; F149-L177 HydrophobicContact CE2-CD2 3.74Å; F149-L177 HydrophobicContact CZ-CD1 4.16Å; F149-L177 HydrophobicContact CZ-CD2 3.72Å; L177-L187 HydrophobicContact CD1-CB 4Å; L177-L187 HydrophobicContact CD1-CD1 4.43Å; L177-L189 HydrophobicContact CD1-CB 4.42Å; L177-L189 HydrophobicContact CD1-CD1 4.21Å
178	S	95.6	Very high	92	Very high	8 Å²	8	47.2 Å²	47.2	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.4	179.8	65.7	0	0	0	0	112.4	F111 L188	F111-S178 WeakPolarHBondContact O-CA 3.43Å; S178-L188 PolarHBondContact N-O 2.67Å; S178-L188 PolarHBondContact O-N 3.41Å; S178-L188 PolarHBondContact OG-O 2.96Å
179	R	93.4	Very high	92.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116.1	158.7	-178.6	168.9	62	172.7	0.5	108.6	Y108 E109 I110 F111 D181 N185 T186 L187 R212 N213	Y108-R179 PolarHBondContact O-NH2 2.78Å; E109-R179 PolarHBondContact O-NE 3.1Å; E109-R179 PolarHBondContact O-NH2 2.86Å; I110-R179 WeakPolarHBondContact CA-O 3.28Å; I110-R179 WeakPolarHBondContact CG2-O 3.33Å; F111-R179 HydrophobicContact CD1-CB 3.79Å; F111-R179 HydrophobicContact CE1-CB 3.58Å; F111-R179 HydrophobicContact CZ-CB 4.21Å; F111-R179 PolarHBondContact N-O 3.26Å; F111-R179 PolarHBondContact O-N 3.39Å; R179-D181 WeakPolarHBondContact CG-O 3.35Å; R179-N185 WeakPolarHBondContact CD-OD1 3.33Å; R179-N185 PolarHBondContact NH1-OD1 2.96Å; R179-T186 WeakPolarHBondContact CG-O 3.29Å; R179-L187 HydrophobicContact CB-CD2 3.94Å; R179-L187 HydrophobicContact CG-CD2 4.39Å; R179-R212 PolarHBondContact NH1-O 2.91Å; R179-R212 PolarHBondContact NH2-O 2.89Å; R179-N213 PolarHBondContact NH2-OD1 3.01Å
180	I	89.5	Confident	92.4	Very high	118 Å²	118	45 Å²	45	61%	0.605	22%	0.223	S	C	*	.			trans	-111.2	-15.3	-177.6	61.1	173	0	0	0	112.5	L188	I180-L188 HydrophobicContact CD1-CD2 4.29Å
181	D	84.2	Confident	92.7	Very high	50 Å²	50	42.6 Å²	42.6	27%	0.267	21%	0.206	S	C	.	.			trans	-126.2	128.4	-175.9	-173.2	-15.5	0	0	0	110.3	R179 E183 N184	R179-D181 WeakPolarHBondContact CG-O 3.35Å; D181-E183 PolarHBondContact OD1-N 2.75Å; D181-N184 PolarHBondContact OD1-N 3.03Å; D181-N184 VanDerWaalsContact OD1-N 3.11Å; D181-N184 PolarHBondContact OD2-ND2 3Å
182	L	78.1	Confident	92.7	Very high	55 Å²	55	37.2 Å²	37.2	29%	0.288	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-19.6	-179.6	-75.9	158	0	0	0	113.4	E109 I110	E109-L182 HydrophobicContact CB-CD1 3.8Å; E109-L182 HydrophobicContact CB-CD2 3.66Å; E109-L182 HydrophobicContact CB-CG 4.29Å; E109-L182 HydrophobicContact CG-CD2 4.21Å; E109-L182 WeakPolarHBondContact O-CD2 3.19Å; I110-L182 HydrophobicContact CD1-CD1 4.43Å; I110-L182 HydrophobicContact CG1-CD1 4.12Å
183	E	82.8	Confident	92.6	Very high	187 Å²	187	37.5 Å²	37.5	87%	0.874	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-40.8	-179.4	-60.5	-169.7	168.7	0	0	109.8	D181	D181-E183 PolarHBondContact OD1-N 2.75Å
184	N	84.5	Confident	92.3	Very high	117 Å²	117	46.2 Å²	46.2	63%	0.626	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.4	171.6	-65.5	-65.7	0	0	0	113.6	D181 T186	D181-N184 PolarHBondContact OD1-N 3.03Å; D181-N184 VanDerWaalsContact OD1-N 3.11Å; D181-N184 PolarHBondContact OD2-ND2 3Å; N184-T186 VanDerWaalsContact C-N 3.31Å; N184-T186 HydrophobicContact CB-CG2 4.27Å; N184-T186 PolarHBondContact O-N 2.84Å
185	N	87.2	Confident	92	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.4	53.5	-176.4	-166	10.3	0	0	0	113.2	R179 V205 G208 S211	R179-N185 WeakPolarHBondContact CD-OD1 3.33Å; R179-N185 PolarHBondContact NH1-OD1 2.96Å; N185-V205 WeakPolarHBondContact O-CB 3.3Å; N185-V205 VanDerWaalsContact O-CG2 3.29Å; N185-V205 WeakPolarHBondContact O-CG2 3.5Å; N185-V205 PolarHBondContact O-N 3.19Å; N185-G208 WeakPolarHBondContact ND2-CA 3.11Å; N185-G208 PolarHBondContact ND2-O 2.9Å; N185-S211 PolarHBondContact ND2-O 2.92Å
186	T	92.2	Very high	91.6	Very high	22 Å²	22	57.9 Å²	57.9	14%	0.135	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.8	177.2	48.3	0	0	0	0	111.2	R179 N184 M202 I203	R179-T186 WeakPolarHBondContact CG-O 3.29Å; N184-T186 VanDerWaalsContact C-N 3.31Å; N184-T186 HydrophobicContact CB-CG2 4.27Å; N184-T186 PolarHBondContact O-N 2.84Å; T186-M202 HydrophobicContact CG2-CG 3.97Å; T186-M202 HydrophobicContact CG2-SD 4.06Å; T186-I203 CarbonylContact C-O 3.29Å; T186-I203 VanDerWaalsContact CA-O 3.3Å; T186-I203 WeakPolarHBondContact CA-O 3.39Å
187	L	94.8	Very high	91	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.6	166.3	-52.5	-176.6	0	0	0	108.3	F111 F149 F151 L177 R179 I203 V205 F214	F111-L187 HydrophobicContact CE1-CD2 3.97Å; F111-L187 HydrophobicContact CZ-CD2 3.79Å; F149-L187 HydrophobicContact CE1-CD1 4.09Å; F149-L187 HydrophobicContact CZ-CD1 4.16Å; F151-L187 HydrophobicContact CD1-CD1 4.47Å; F151-L187 HydrophobicContact CD2-CD1 4.27Å; F151-L187 HydrophobicContact CE1-CD1 4.11Å; F151-L187 HydrophobicContact CE2-CD1 3.88Å; F151-L187 HydrophobicContact CZ-CD1 3.79Å; L177-L187 HydrophobicContact CD1-CB 4Å; L177-L187 HydrophobicContact CD1-CD1 4.43Å; R179-L187 HydrophobicContact CB-CD2 3.94Å; R179-L187 HydrophobicContact CG-CD2 4.39Å; L187-I203 HydrophobicContact CB-CB 4.22Å; L187-I203 PolarHBondContact N-O 2.81Å; L187-I203 PolarHBondContact O-N 2.59Å; L187-V205 HydrophobicContact CD2-CG2 4.46Å; L187-V205 HydrophobicContact CG-CG2 4.09Å; L187-F214 HydrophobicContact CD1-CZ 4.49Å
188	L	96	Very high	90.8	Very high	36 Å²	36	65.1 Å²	65.1	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.8	177.2	175.8	61.6	0	0	0	108.8	S178 I180 Y190	S178-L188 PolarHBondContact N-O 2.67Å; S178-L188 PolarHBondContact O-N 3.41Å; S178-L188 PolarHBondContact OG-O 2.96Å; I180-L188 HydrophobicContact CD1-CD2 4.29Å; L188-Y190 HydrophobicContact CD1-CE2 4.08Å; L188-Y190 HydrophobicContact CD2-CE2 3.77Å; L188-Y190 HydrophobicContact CG-CD2 4.37Å; L188-Y190 HydrophobicContact CG-CE2 3.71Å
189	L	97.4	Very high	90.8	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.1	-176.3	-167.8	150.4	0	0	0	110.8	F140 F149 L162 E176 L177 I191 S200 I201	F140-L189 HydrophobicContact CE1-CD1 3.92Å; F140-L189 HydrophobicContact CZ-CD1 4.01Å; F149-L189 HydrophobicContact CD1-CD1 4.44Å; F149-L189 HydrophobicContact CG-CD1 4.41Å; L162-L189 HydrophobicContact CD1-CD1 3.5Å; L162-L189 HydrophobicContact CD1-CD2 3.77Å; L162-L189 HydrophobicContact CD1-CG 4.33Å; L162-L189 HydrophobicContact CD2-CD1 4Å; L162-L189 HydrophobicContact CD2-CD2 4.22Å; L162-L189 HydrophobicContact CG-CD1 4.41Å; L162-L189 HydrophobicContact CG-CD2 4.45Å; E176-L189 CarbonylContact O-C 3.53Å; E176-L189 VanDerWaalsContact O-CA 3.29Å; E176-L189 WeakPolarHBondContact O-CA 3.38Å; L177-L189 HydrophobicContact CD1-CB 4.42Å; L177-L189 HydrophobicContact CD1-CD1 4.21Å; L189-I191 HydrophobicContact CD2-CD1 3.5Å; L189-I191 HydrophobicContact CD2-CG1 3.96Å; L189-S200 CarbonylContact O-C 3.4Å; L189-S200 VanDerWaalsContact O-CA 3.26Å; L189-S200 WeakPolarHBondContact O-CA 3.33Å; L189-I201 PolarHBondContact N-O 3.41Å; L189-I201 PolarHBondContact O-N 2.9Å
190	Y	97	Very high	90.8	Very high	36 Å²	36	70.4 Å²	70.4	14%	0.141	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.7	170.8	-67.4	-88.3	0	0	0	110.9	V175 E176 L188 R193 E198 Q199	V175-Y190 WeakPolarHBondContact CA-O 3.13Å; E176-Y190 PolarHBondContact N-O 3.5Å; E176-Y190 PolarHBondContact O-N 3.47Å; L188-Y190 HydrophobicContact CD1-CE2 4.08Å; L188-Y190 HydrophobicContact CD2-CE2 3.77Å; L188-Y190 HydrophobicContact CG-CD2 4.37Å; L188-Y190 HydrophobicContact CG-CE2 3.71Å; Y190-R193 HydrophobicContact CD1-CG 3.85Å; Y190-R193 HydrophobicContact CE1-CG 4.44Å; Y190-R193 VanDerWaalsContact CE2-CZ 3.44Å; Y190-R193 HydrophobicContact CG-CB 4.48Å; Y190-R193 HydrophobicContact CG-CG 4.02Å; Y190-R193 PolarHBondContact OH-NH2 2.87Å; Y190-E198 HydrophobicContact CD1-CG 4.43Å; Y190-E198 WeakPolarHBondContact CD1-OE1 3Å; Y190-E198 WeakPolarHBondContact CE1-OE1 3.42Å; Y190-Q199 CarbonylContact C-O 3.55Å; Y190-Q199 WeakPolarHBondContact CA-O 3.49Å
191	I	97.1	Very high	91.1	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.6	162.4	-53	97.8	0	0	0	107.5	L147 L162 T163 H174 L189 R193 E198 Q199	L147-I191 HydrophobicContact CD2-CG1 4.17Å; L162-I191 HydrophobicContact CB-CD1 4.05Å; T163-I191 HydrophobicContact CG2-CB 4.47Å; T163-I191 HydrophobicContact CG2-CD1 4.13Å; T163-I191 HydrophobicContact CG2-CG1 4Å; T163-I191 HydrophobicContact CG2-CG2 4.18Å; H174-I191 CarbonylContact O-C 3.51Å; H174-I191 WeakPolarHBondContact O-CA 3.47Å; L189-I191 HydrophobicContact CD2-CD1 3.5Å; L189-I191 HydrophobicContact CD2-CG1 3.96Å; I191-R193 PolarHBondContact O-N 2.94Å; I191-R193 VanDerWaalsContact O-N 3.16Å; I191-E198 WeakPolarHBondContact O-CA 3.36Å; I191-Q199 HydrophobicContact CD1-CB 4.12Å; I191-Q199 PolarHBondContact N-O 3.14Å; I191-Q199 PolarHBondContact O-N 2.88Å
192	D	95.5	Very high	91.6	Very high	13 Å²	13	71 Å²	71	7%	0.07	35%	0.345	C	S	.	.	S	Bend	trans	49.5	42.7	174.5	-62.4	-23.4	0	0	0	114.2	Y165 H173 H174 T195 E198	Y165-D192 PolarHBondContact OH-OD2 2.89Å; H173-D192 WeakPolarHBondContact CA-OD1 3.47Å; H173-D192 IonicContact CE1-OD2 3.66Å; H173-D192 IonicContact CG-OD2 2.62Å; H173-D192 IonicContact ND1-OD1 2.68Å; H173-D192 IonicContact ND1-OD2 2.85Å; H173-D192 PolarHBondContact ND1-OD2 3.2Å; H174-D192 PolarHBondContact N-OD1 3.45Å; H174-D192 PolarHBondContact O-N 3.04Å; D192-T195 HydrophobicContact CB-CG2 4.25Å; D192-T195 WeakPolarHBondContact CB-OG1 3.38Å; D192-T195 VanDerWaalsContact O-CB 3.32Å; D192-T195 WeakPolarHBondContact O-CB 3.33Å; D192-T195 WeakPolarHBondContact O-CG2 3.32Å; D192-T195 PolarHBondContact O-N 2.84Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.1Å; D192-E198 WeakPolarHBondContact O-CA 3.38Å; D192-E198 WeakPolarHBondContact O-CB 3.26Å
193	R	92.8	Very high	92.4	Very high	66 Å²	66	68.4 Å²	68.4	25%	0.249	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	136.5	179.5	-155.6	178.9	-171.7	-172.1	-0.5	111.7	E176 Y190 I191 T195 E198	E176-R193 WeakPolarHBondContact OE2-CD 3.43Å; E176-R193 IonicContact OE2-CZ 2.71Å; E176-R193 IonicContact OE2-NE 3.87Å; E176-R193 IonicContact OE2-NH1 3.03Å; E176-R193 PolarHBondContact OE2-NH1 3.02Å; Y190-R193 HydrophobicContact CD1-CG 3.85Å; Y190-R193 HydrophobicContact CE1-CG 4.44Å; Y190-R193 VanDerWaalsContact CE2-CZ 3.44Å; Y190-R193 HydrophobicContact CG-CB 4.48Å; Y190-R193 HydrophobicContact CG-CG 4.02Å; Y190-R193 PolarHBondContact OH-NH2 2.87Å; I191-R193 PolarHBondContact O-N 2.94Å; I191-R193 VanDerWaalsContact O-N 3.16Å; R193-T195 VanDerWaalsContact C-N 3.27Å; R193-T195 PolarHBondContact O-N 3.47Å; R193-E198 WeakPolarHBondContact CA-OE2 3.18Å
194	Y	91.1	Very high	92.8	Very high	191 Å²	191	63.1 Å²	63.1	75%	0.749	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	18.5	-175.1	-42.2	-68.1	0	0	0	115.1	E198	Y194-E198 PolarHBondContact N-OE2 2.73Å
195	T	91	Very high	93.1	Very high	76 Å²	76	58.2 Å²	58.2	47%	0.466	29%	0.287	S	S	.	.	S	Bend	trans	-110.6	-177.6	170.8	80.9	0	0	0	0	111.8	D192 R193 D197	D192-T195 HydrophobicContact CB-CG2 4.25Å; D192-T195 WeakPolarHBondContact CB-OG1 3.38Å; D192-T195 VanDerWaalsContact O-CB 3.32Å; D192-T195 WeakPolarHBondContact O-CB 3.33Å; D192-T195 WeakPolarHBondContact O-CG2 3.32Å; D192-T195 PolarHBondContact O-N 2.84Å; D192-T195 VanDerWaalsContact O-N 3.1Å; D192-T195 PolarHBondContact O-OG1 3.1Å; R193-T195 VanDerWaalsContact C-N 3.27Å; R193-T195 PolarHBondContact O-N 3.47Å; T195-D197 VanDerWaalsContact C-N 3.33Å; T195-D197 PolarHBondContact OG1-N 2.76Å; T195-D197 VanDerWaalsContact OG1-N 3.15Å
196	F	87.9	Confident	93	Very high	214 Å²	214	61.9 Å²	61.9	94%	0.939	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.5	173.1	-71.9	-77.5	0	0	0	113.7
197	D	85.7	Confident	92.7	Very high	94 Å²	94	65.5 Å²	65.5	50%	0.503	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	18.3	-176.1	-59.7	-63	0	0	0	111.9	Y165 T195 Q199	Y165-D197 HydrophobicContact CE1-CB 4.14Å; Y165-D197 WeakPolarHBondContact CE1-O 3.31Å; Y165-D197 PolarHBondContact OH-O 2.74Å; T195-D197 VanDerWaalsContact C-N 3.33Å; T195-D197 PolarHBondContact OG1-N 2.76Å; T195-D197 VanDerWaalsContact OG1-N 3.15Å; D197-Q199 PolarHBondContact O-N 3.16Å
198	E	93.6	Very high	91.6	Very high	77 Å²	77	66.3 Å²	66.3	36%	0.36	33%	0.333	S	S	.	.			trans	-56.4	124.8	179.4	179.1	173	148.9	0	0	111.3	Y190 I191 D192 R193 Y194	Y190-E198 HydrophobicContact CD1-CG 4.43Å; Y190-E198 WeakPolarHBondContact CD1-OE1 3Å; Y190-E198 WeakPolarHBondContact CE1-OE1 3.42Å; I191-E198 WeakPolarHBondContact O-CA 3.36Å; D192-E198 WeakPolarHBondContact O-CA 3.38Å; D192-E198 WeakPolarHBondContact O-CB 3.26Å; R193-E198 WeakPolarHBondContact CA-OE2 3.18Å; Y194-E198 PolarHBondContact N-OE2 2.73Å
199	Q	94	Very high	90.7	Very high	49 Å²	49	71 Å²	71	23%	0.229	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142	168.1	-52.1	-152.1	-74.8	0	0	109.5	T163 Y165 Y190 I191 D197	T163-Q199 VanDerWaalsContact CA-OE1 3.3Å; Y165-Q199 HydrophobicContact CE1-CG 3.68Å; Y190-Q199 CarbonylContact C-O 3.55Å; Y190-Q199 WeakPolarHBondContact CA-O 3.49Å; I191-Q199 HydrophobicContact CD1-CB 4.12Å; I191-Q199 PolarHBondContact N-O 3.14Å; I191-Q199 PolarHBondContact O-N 2.88Å; D197-Q199 PolarHBondContact O-N 3.16Å
200	S	94.9	Very high	89.8	Confident	70 Å²	70	77.2 Å²	77.2	49%	0.49	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.6	176.2	65.6	0	0	0	0	111.2	L189	L189-S200 CarbonylContact O-C 3.4Å; L189-S200 VanDerWaalsContact O-CA 3.26Å; L189-S200 WeakPolarHBondContact O-CA 3.33Å
201	I	95.2	Very high	89.2	Confident	48 Å²	48	75.8 Å²	75.8	25%	0.246	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131	-179.1	-58.7	179.7	0	0	0	108.5	L162 L189 I203	L162-I201 HydrophobicContact CB-CD1 4.38Å; L162-I201 HydrophobicContact CD2-CD1 3.92Å; L162-I201 WeakPolarHBondContact O-CD1 3.37Å; L189-I201 PolarHBondContact N-O 3.41Å; L189-I201 PolarHBondContact O-N 2.9Å; I201-I203 HydrophobicContact CG2-CD1 4.49Å; I201-I203 HydrophobicContact CG2-CG1 3.86Å
202	M	94.6	Very high	88.5	Confident	132 Å²	132	81.6 Å²	81.6	65%	0.65	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.3	170.3	-174.3	-179.9	69.3	0	0	109	T186	T186-M202 HydrophobicContact CG2-CG 3.97Å; T186-M202 HydrophobicContact CG2-SD 4.06Å
203	I	94.1	Very high	88.1	Confident	1 Å²	1	83.7 Å²	83.7	1%	0.005	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.2	-176.2	-65.1	169	0	0	0	108.9	F149 F151 Y160 T186 L187 I201	F149-I203 HydrophobicContact CD1-CD1 3.81Å; F149-I203 HydrophobicContact CE1-CD1 3.99Å; F151-I203 HydrophobicContact CE1-CG2 3.87Å; F151-I203 HydrophobicContact CZ-CG2 3.85Å; Y160-I203 HydrophobicContact CD1-CG1 4.45Å; Y160-I203 HydrophobicContact CD2-CD1 3.69Å; Y160-I203 HydrophobicContact CD2-CG1 4.06Å; Y160-I203 HydrophobicContact CD2-CG2 4.05Å; Y160-I203 HydrophobicContact CE2-CB 4.33Å; Y160-I203 HydrophobicContact CE2-CD1 4.13Å; Y160-I203 HydrophobicContact CE2-CG1 4.1Å; Y160-I203 HydrophobicContact CE2-CG2 3.35Å; Y160-I203 HydrophobicContact CG-CD1 3.99Å; Y160-I203 HydrophobicContact CG-CG1 4.25Å; T186-I203 CarbonylContact C-O 3.29Å; T186-I203 VanDerWaalsContact CA-O 3.3Å; T186-I203 WeakPolarHBondContact CA-O 3.39Å; L187-I203 HydrophobicContact CB-CB 4.22Å; L187-I203 PolarHBondContact N-O 2.81Å; L187-I203 PolarHBondContact O-N 2.59Å; I201-I203 HydrophobicContact CG2-CD1 4.49Å; I201-I203 HydrophobicContact CG2-CG1 3.86Å
204	P	92	Very high	88	Confident	77 Å²	77	81 Å²	81	50%	0.5	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.4	172.2	31.6	-32	0	0	0	110.6	Q158 I206	Q158-P204 PolarHBondContact OE1-O 2.95Å; P204-I206 PolarHBondContact O-N 3.05Å
205	V	90.6	Very high	88.1	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.079	39%	0.393	C	S	.	.			trans	-72.9	113.8	175.4	177.9	0	0	0	0	109.8	F151 M153 N185 L187 N207 G208	F151-V205 HydrophobicContact CE2-CG2 4.25Å; F151-V205 HydrophobicContact CZ-CG2 4.49Å; M153-V205 HydrophobicContact SD-CG1 4.05Å; M153-V205 HydrophobicContact SD-CG2 3.93Å; N185-V205 WeakPolarHBondContact O-CB 3.3Å; N185-V205 VanDerWaalsContact O-CG2 3.29Å; N185-V205 WeakPolarHBondContact O-CG2 3.5Å; N185-V205 PolarHBondContact O-N 3.19Å; L187-V205 HydrophobicContact CD2-CG2 4.46Å; L187-V205 HydrophobicContact CG-CG2 4.09Å; V205-N207 PolarHBondContact O-N 3.48Å; V205-G208 WeakPolarHBondContact O-CA 3.5Å; V205-G208 PolarHBondContact O-N 3.23Å
206	I	86.5	Confident	88.3	Confident	85 Å²	85	72.3 Å²	72.3	44%	0.436	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.3	173.4	-63.3	178.1	0	0	0	109.9	S155 Q158 P204 G208	S155-I206 WeakPolarHBondContact CB-O 3.32Å; S155-I206 PolarHBondContact OG-O 2.86Å; Q158-I206 HydrophobicContact CG-CD1 3.65Å; Q158-I206 HydrophobicContact CG-CG1 4.09Å; P204-I206 PolarHBondContact O-N 3.05Å; I206-G208 PolarHBondContact O-N 2.77Å
207	N	84	Confident	88.5	Confident	98 Å²	98	66 Å²	66	52%	0.524	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	37	-173.2	-53.3	-44.2	0	0	0	113.6	V205 D209 I210 S211	V205-N207 PolarHBondContact O-N 3.48Å; N207-D209 PolarHBondContact O-N 2.87Å; N207-I210 HydrophobicContact CB-CD1 4.19Å; N207-I210 HydrophobicContact CB-CG1 4.01Å; N207-I210 WeakPolarHBondContact O-CG1 3.43Å; N207-I210 PolarHBondContact O-N 2.97Å; N207-S211 PolarHBondContact O-N 3.09Å
208	G	73.3	Confident	88.9	Confident	16 Å²	16	63.1 Å²	63.1	17%	0.165	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-17.9	-175.7	0	0	0	0	0	116.1	N185 V205 I206 I210	N185-G208 WeakPolarHBondContact ND2-CA 3.11Å; N185-G208 PolarHBondContact ND2-O 2.9Å; V205-G208 WeakPolarHBondContact O-CA 3.5Å; V205-G208 PolarHBondContact O-N 3.23Å; I206-G208 PolarHBondContact O-N 2.77Å; G208-I210 VanDerWaalsContact C-N 3.26Å; G208-I210 PolarHBondContact O-N 2.91Å
209	D	75.9	Confident	88.9	Confident	134 Å²	134	60.6 Å²	60.6	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-40.4	170.4	-76.7	-40	0	0	0	112.9	N207 R212	N207-D209 PolarHBondContact O-N 2.87Å; D209-R212 PolarHBondContact O-NE 2.85Å; D209-R212 PolarHBondContact O-NH2 2.68Å
210	I	79.7	Confident	89.1	Confident	132 Å²	132	58.3 Å²	58.3	68%	0.677	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-36.7	-178.5	54.3	170.6	0	0	0	112.1	N207 G208 R212	N207-I210 HydrophobicContact CB-CD1 4.19Å; N207-I210 HydrophobicContact CB-CG1 4.01Å; N207-I210 WeakPolarHBondContact O-CG1 3.43Å; N207-I210 PolarHBondContact O-N 2.97Å; G208-I210 VanDerWaalsContact C-N 3.26Å; G208-I210 PolarHBondContact O-N 2.91Å; I210-R212 PolarHBondContact O-N 2.84Å
211	S	83.1	Confident	89.2	Confident	5 Å²	5	55.5 Å²	55.5	4%	0.035	29%	0.292	C	S	.	.			trans	-88.5	75.2	-174.7	-79.4	0	0	0	0	112.2	M153 S155 N185 N207	M153-S211 WeakPolarHBondContact O-CB 3.41Å; M153-S211 PolarHBondContact O-OG 3.1Å; S155-S211 WeakPolarHBondContact CB-OG 3.41Å; S155-S211 PolarHBondContact N-OG 2.98Å; S155-S211 VanDerWaalsContact N-OG 3.09Å; S155-S211 PolarHBondContact OG-OG 3.49Å; N185-S211 PolarHBondContact ND2-O 2.92Å; N207-S211 PolarHBondContact O-N 3.09Å
212	R	82.5	Confident	89.3	Confident	122 Å²	122	53.2 Å²	53.2	46%	0.46	28%	0.28	S	S	.	.			trans	-98.1	-21.3	-168.5	-66.4	-173.4	-178.2	-124.2	-10.3	116.3	R179 D209 I210	R179-R212 PolarHBondContact NH1-O 2.91Å; R179-R212 PolarHBondContact NH2-O 2.89Å; D209-R212 PolarHBondContact O-NE 2.85Å; D209-R212 PolarHBondContact O-NH2 2.68Å; I210-R212 PolarHBondContact O-N 2.84Å
213	N	87.1	Confident	89.4	Confident	58 Å²	58	47 Å²	47	31%	0.31	25%	0.249	S	C	.	.			trans	-146.2	155	-176.3	-72.9	-54.2	0	0	0	111.3	Y108 E109 R179	Y108-N213 WeakPolarHBondContact CA-OD1 3.34Å; E109-N213 WeakPolarHBondContact CA-OD1 3.36Å; E109-N213 PolarHBondContact N-OD1 3.04Å; R179-N213 PolarHBondContact NH2-OD1 3.01Å
214	F	91.9	Very high	89.5	Confident	8 Å²	8	47 Å²	47	4%	0.035	25%	0.25	C	C	.	.			trans	-92.7	120.9	175	-76.3	-76.5	0	0	0	111.2	L107 F111 F137 I138 F151 D152 M153 L187 L216	L107-F214 HydrophobicContact CB-CB 4.28Å; L107-F214 HydrophobicContact CB-CD2 4.2Å; L107-F214 HydrophobicContact CD1-CD2 4.38Å; L107-F214 PolarHBondContact O-N 3.1Å; F111-F214 HydrophobicContact CE1-CD2 4.23Å; F111-F214 HydrophobicContact CE1-CE2 4.13Å; F111-F214 HydrophobicContact CZ-CD2 4.25Å; F111-F214 AromaticContact CZ-CE2 3.85Å; F111-F214 HydrophobicContact CZ-CE2 3.85Å; F137-F214 WeakPolarHBondContact O-CE1 3.42Å; I138-F214 HydrophobicContact CB-CE1 4.28Å; I138-F214 HydrophobicContact CD1-CE2 4.47Å; I138-F214 HydrophobicContact CD1-CZ 4.36Å; F151-F214 HydrophobicContact CB-CE1 3.93Å; F151-F214 HydrophobicContact CB-CZ 4.01Å; F151-F214 AromaticContact CD2-CE1 3.92Å; F151-F214 HydrophobicContact CD2-CE1 3.92Å; F151-F214 AromaticContact CD2-CZ 3.67Å; F151-F214 HydrophobicContact CD2-CZ 3.67Å; F151-F214 HydrophobicContact CG-CE1 4.37Å; F151-F214 HydrophobicContact CG-CZ 4.12Å; D152-F214 WeakPolarHBondContact O-CE1 3.5Å; M153-F214 HydrophobicContact CE-CD2 3.86Å; M153-F214 HydrophobicContact CE-CE2 3.93Å; M153-F214 HydrophobicContact CE-CG 4.26Å; M153-F214 HydrophobicContact CE-CZ 4.39Å; M153-F214 HydrophobicContact CG-CD1 3.6Å; M153-F214 HydrophobicContact CG-CD2 4.27Å; M153-F214 HydrophobicContact CG-CE1 3.29Å; M153-F214 HydrophobicContact CG-CE2 4Å; M153-F214 HydrophobicContact CG-CG 4.08Å; M153-F214 HydrophobicContact CG-CZ 3.52Å; M153-F214 HydrophobicContact SD-CD2 4.18Å; M153-F214 HydrophobicContact SD-CE1 4.07Å; M153-F214 HydrophobicContact SD-CE2 3.68Å; M153-F214 HydrophobicContact SD-CZ 3.62Å; L187-F214 HydrophobicContact CD1-CZ 4.49Å; F214-L216 HydrophobicContact CB-CD1 4.06Å; F214-L216 HydrophobicContact CB-CD2 4.07Å; F214-L216 HydrophobicContact CB-CG 3.8Å; F214-L216 HydrophobicContact CD1-CD2 4.26Å; F214-L216 PolarHBondContact O-N 2.85Å
215	N	92.4	Very high	89.7	Confident	80 Å²	80	44.5 Å²	44.5	43%	0.428	23%	0.232	S	C	.	.			trans	-93.1	52.3	-175.5	-160.6	16.6	0	0	0	113.8	N131 D136 N217	N131-N215 WeakPolarHBondContact CB-O 3.49Å; D136-N215 HydrophobicContact CB-CB 4.39Å; D136-N215 WeakPolarHBondContact OD2-CB 3.34Å; D136-N215 PolarHBondContact OD2-N 3.37Å; N215-N217 VanDerWaalsContact C-N 3.34Å; N215-N217 VanDerWaalsContact CG-ND2 3.35Å; N215-N217 PolarHBondContact O-N 2.89Å; N215-N217 PolarHBondContact O-ND2 2.96Å; N215-N217 PolarHBondContact OD1-ND2 2.86Å
216	L	94.5	Very high	89.8	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.026	24%	0.235	C	C	.	.			trans	-76	70.9	-166.2	-48.2	175.2	0	0	0	113.8	S104 M105 L107 N129 S130 D136 I138 F214	S104-L216 VanDerWaalsContact CB-O 3.23Å; S104-L216 WeakPolarHBondContact CB-O 3.4Å; M105-L216 HydrophobicContact CB-CD1 4.21Å; M105-L216 HydrophobicContact CE-CD1 4.27Å; L107-L216 HydrophobicContact CD1-CD1 4.03Å; L107-L216 HydrophobicContact CG-CD1 4.3Å; N129-L216 HydrophobicContact CB-CD1 4.28Å; N129-L216 WeakPolarHBondContact OD1-CB 3.47Å; N129-L216 WeakPolarHBondContact OD1-CD1 3.45Å; S130-L216 CarbonylContact O-C 3.31Å; S130-L216 VanDerWaalsContact O-C 3.29Å; S130-L216 WeakPolarHBondContact O-CA 3.39Å; D136-L216 HydrophobicContact CB-CD2 4.44Å; I138-L216 HydrophobicContact CG2-CD1 3.59Å; I138-L216 HydrophobicContact CG2-CD2 4.24Å; F214-L216 HydrophobicContact CB-CD1 4.06Å; F214-L216 HydrophobicContact CB-CD2 4.07Å; F214-L216 HydrophobicContact CB-CG 3.8Å; F214-L216 HydrophobicContact CD1-CD2 4.26Å; F214-L216 PolarHBondContact O-N 2.85Å
217	N	92.7	Very high	89.9	Confident	83 Å²	83	46.3 Å²	46.3	44%	0.444	24%	0.24	S	C	.	.			trans	-90.6	-4.8	-175.2	-63.8	-57.1	0	0	0	115.7	S130 N215	S130-N217 PolarHBondContact O-N 2.9Å; N215-N217 VanDerWaalsContact C-N 3.34Å; N215-N217 VanDerWaalsContact CG-ND2 3.35Å; N215-N217 PolarHBondContact O-N 2.89Å; N215-N217 PolarHBondContact O-ND2 2.96Å; N215-N217 PolarHBondContact OD1-ND2 2.86Å
218	D	93.9	Very high	90.1	Very high	32 Å²	32	47.5 Å²	47.5	17%	0.171	24%	0.238	C	C	.	.	S	Bend	trans	-87.6	163.7	163.8	-92.1	-21	0	0	0	110	S104 N129 S130 K132 K232	S104-D218 WeakPolarHBondContact CB-O 3.29Å; S104-D218 PolarHBondContact OG-O 3.23Å; N129-D218 PolarHBondContact ND2-O 2.84Å; S130-D218 WeakPolarHBondContact O-CB 3.41Å; S130-D218 PolarHBondContact O-N 3.44Å; K132-D218 WeakPolarHBondContact CE-OD1 3.34Å; K132-D218 VanDerWaalsContact CG-CG 3.49Å; K132-D218 WeakPolarHBondContact CG-OD1 3.47Å; D218-K232 IonicContact OD2-NZ 2.74Å; D218-K232 PolarHBondContact OD2-NZ 2.89Å
219	P	94.9	Very high	91	Very high	25 Å²	25	47.4 Å²	47.4	16%	0.162	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62.8	155.7	-176.1	-25.5	37.7	0	0	0	114.1	H101 N129 F221	H101-P219 VanDerWaalsContact CD2-CB 3.41Å; H101-P219 WeakPolarHBondContact CD2-CB 3.23Å; H101-P219 VanDerWaalsContact NE2-CB 3.31Å; H101-P219 WeakPolarHBondContact NE2-CB 3.22Å; H101-P219 WeakPolarHBondContact NE2-CG 3.34Å; N129-P219 PolarHBondContact ND2-O 2.82Å; P219-F221 HydrophobicContact CB-CE2 4.23Å; P219-F221 WeakPolarHBondContact O-CD2 3.33Å
220	L	97	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.2	168.9	172.8	63.3	0	0	0	108.6	H102 P103 M105 L127 N129 I222 F250	H102-L220 HydrophobicContact CB-CB 4.21Å; H102-L220 HydrophobicContact CB-CD2 4.34Å; H102-L220 HydrophobicContact CB-CG 4.36Å; H102-L220 PolarHBondContact N-O 3.26Å; H102-L220 PolarHBondContact O-N 2.76Å; P103-L220 VanDerWaalsContact O-CB 3.29Å; P103-L220 WeakPolarHBondContact O-CB 3.36Å; M105-L220 HydrophobicContact CE-CD1 4.21Å; M105-L220 HydrophobicContact CG-CD1 4.12Å; M105-L220 HydrophobicContact CG-CD2 3.9Å; M105-L220 HydrophobicContact CG-CG 4.41Å; M105-L220 HydrophobicContact SD-CD1 4.11Å; M105-L220 HydrophobicContact SD-CD2 4.25Å; L127-L220 HydrophobicContact CD1-CD1 4.04Å; L127-L220 HydrophobicContact CD2-CD1 4.03Å; L127-L220 HydrophobicContact CG-CD1 3.81Å; N129-L220 HydrophobicContact CB-CB 4.45Å; N129-L220 HydrophobicContact CB-CD1 3.76Å; N129-L220 PolarHBondContact ND2-N 2.97Å; L220-I222 HydrophobicContact CD1-CG1 4.29Å; L220-I222 HydrophobicContact CD2-CD1 3.96Å; L220-I222 HydrophobicContact CD2-CG1 4.25Å; L220-I222 HydrophobicContact CG-CD1 4.29Å; L220-I222 HydrophobicContact CG-CG1 4.03Å; L220-F250 HydrophobicContact CD2-CE1 3.96Å; L220-F250 HydrophobicContact CD2-CZ 3.63Å
221	F	97.4	Very high	92.2	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.5	171.9	-66.5	-94.2	0	0	0	109.6	Y99 L100 H101 L127 F128 P219 G224 I225 T229	Y99-F221 AromaticContact CD2-CD1 3.67Å; Y99-F221 HydrophobicContact CD2-CD1 3.67Å; Y99-F221 AromaticContact CD2-CE1 3.99Å; Y99-F221 HydrophobicContact CD2-CE1 3.99Å; Y99-F221 HydrophobicContact CE2-CD1 4Å; Y99-F221 AromaticContact CE2-CE1 3.81Å; Y99-F221 HydrophobicContact CE2-CE1 3.81Å; Y99-F221 HydrophobicContact CG-CD1 4.42Å; L100-F221 WeakPolarHBondContact O-CA 3.42Å; H101-F221 AromaticContact CD2-CE1 3.95Å; H101-F221 AromaticContact CD2-CZ 3.95Å; L127-F221 WeakPolarHBondContact CA-O 3.16Å; F128-F221 HydrophobicContact CB-CB 4.4Å; F128-F221 HydrophobicContact CD1-CD2 4.26Å; F128-F221 PolarHBondContact N-O 2.83Å; F128-F221 PolarHBondContact O-N 3Å; P219-F221 HydrophobicContact CB-CE2 4.23Å; P219-F221 WeakPolarHBondContact O-CD2 3.33Å; F221-G224 WeakPolarHBondContact CB-O 3.21Å; F221-I225 HydrophobicContact CB-CG2 3.72Å; F221-I225 HydrophobicContact CD1-CB 4.48Å; F221-I225 HydrophobicContact CD1-CG2 4.2Å; F221-I225 HydrophobicContact CD2-CG2 4.33Å; F221-I225 HydrophobicContact CG-CG2 3.85Å; F221-T229 HydrophobicContact CE2-CG2 4.21Å; F221-T229 WeakPolarHBondContact CZ-OG1 3.45Å
222	I	98	Very high	92.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.9	177.1	-56.6	177.1	0	0	0	108.2	F93 Y99 L100 L126 L220 G224 F247 L260	F93-I222 WeakPolarHBondContact CE1-O 3.46Å; F93-I222 HydrophobicContact CE2-CG2 4.21Å; F93-I222 HydrophobicContact CZ-CB 4.5Å; F93-I222 HydrophobicContact CZ-CG2 4.06Å; F93-I222 WeakPolarHBondContact CZ-O 3.49Å; Y99-I222 CarbonylContact C-O 3.58Å; Y99-I222 WeakPolarHBondContact CA-O 3.48Å; L100-I222 HydrophobicContact CB-CB 4.37Å; L100-I222 PolarHBondContact N-O 3.08Å; L100-I222 PolarHBondContact O-N 2.72Å; L100-I222 VanDerWaalsContact O-N 3.1Å; L126-I222 WeakPolarHBondContact O-CA 3.14Å; L220-I222 HydrophobicContact CD1-CG1 4.29Å; L220-I222 HydrophobicContact CD2-CD1 3.96Å; L220-I222 HydrophobicContact CD2-CG1 4.25Å; L220-I222 HydrophobicContact CG-CD1 4.29Å; L220-I222 HydrophobicContact CG-CG1 4.03Å; I222-G224 VanDerWaalsContact C-N 3.25Å; I222-G224 PolarHBondContact O-N 3.22Å; I222-F247 HydrophobicContact CD1-CE1 4.12Å; I222-F247 HydrophobicContact CG2-CB 4.48Å; I222-F247 HydrophobicContact CG2-CD1 3.75Å; I222-F247 HydrophobicContact CG2-CD2 3.9Å; I222-F247 HydrophobicContact CG2-CE1 3.8Å; I222-F247 HydrophobicContact CG2-CE2 3.96Å; I222-F247 HydrophobicContact CG2-CG 3.79Å; I222-F247 HydrophobicContact CG2-CZ 3.91Å; I222-L260 HydrophobicContact CD1-CD1 3.57Å; I222-L260 HydrophobicContact CD1-CD2 3.51Å; I222-L260 HydrophobicContact CD1-CG 4.17Å
223	G	96.7	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	85.7	-19.8	179.9	0	0	0	0	0	115.2	C98 L125 L126 G242 F243	C98-G223 CarbonylContact O-C 3.54Å; L125-G223 CarbonylContact O-C 3.59Å; L125-G223 VanDerWaalsContact O-C 3.28Å; L126-G223 PolarHBondContact O-N 2.86Å; G223-G242 CarbonylContact O-C 3.52Å; G223-G242 WeakPolarHBondContact O-CA 3.44Å; G223-F243 PolarHBondContact O-N 3.04Å
224	G	96.4	Very high	92.9	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	166.2	-163.3	-178.9	0	0	0	0	0	110.5	Y99 L125 F221 I222	Y99-G224 VanDerWaalsContact CB-O 3.31Å; Y99-G224 WeakPolarHBondContact CB-O 3.22Å; L125-G224 PolarHBondContact O-N 2.77Å; F221-G224 WeakPolarHBondContact CB-O 3.21Å; I222-G224 VanDerWaalsContact C-N 3.25Å; I222-G224 PolarHBondContact O-N 3.22Å
225	I	95.7	Very high	92.5	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.128	16%	0.16	C	C	.	.			trans	-143	163.4	176.7	53.2	175.9	0	0	0	112.5	Y99 L125 F128 F221 T229 F230 L237	Y99-I225 VanDerWaalsContact CD1-C 3.45Å; Y99-I225 WeakPolarHBondContact CD1-O 3.15Å; L125-I225 HydrophobicContact CD2-CB 4.18Å; L125-I225 HydrophobicContact CD2-CD1 3.85Å; L125-I225 HydrophobicContact CD2-CG1 3.76Å; L125-I225 HydrophobicContact CD2-CG2 3.58Å; F128-I225 HydrophobicContact CB-CG2 3.93Å; F128-I225 HydrophobicContact CD1-CG2 3.83Å; F128-I225 HydrophobicContact CG-CG2 4.1Å; F221-I225 HydrophobicContact CB-CG2 3.72Å; F221-I225 HydrophobicContact CD1-CB 4.48Å; F221-I225 HydrophobicContact CD1-CG2 4.2Å; F221-I225 HydrophobicContact CD2-CG2 4.33Å; F221-I225 HydrophobicContact CG-CG2 3.85Å; I225-T229 HydrophobicContact CB-CG2 4.11Å; I225-T229 HydrophobicContact CD1-CG2 4.27Å; I225-T229 HydrophobicContact CG2-CG2 4.07Å; I225-F230 HydrophobicContact CD1-CB 3.84Å; I225-F230 HydrophobicContact CD1-CD2 4.47Å; I225-F230 HydrophobicContact CG1-CB 4.3Å; I225-L237 HydrophobicContact CD1-CD1 3.52Å
226	S	92.5	Very high	92.3	Very high	21 Å²	21	31.4 Å²	31.4	15%	0.147	15%	0.15	C	C	.	.			trans	-68.5	151.2	172.2	87.6	0	0	0	0	112.2	Y99 Y228 T229 F230	Y99-S226 WeakPolarHBondContact OH-CB 3.44Å; S226-Y228 PolarHBondContact O-N 2.96Å; S226-Y228 PolarHBondContact OG-N 3.39Å; S226-T229 CarbonylContact O-C 3.57Å; S226-T229 WeakPolarHBondContact O-CA 3.35Å; S226-T229 VanDerWaalsContact O-CB 3.32Å; S226-T229 WeakPolarHBondContact O-CB 3.32Å; S226-T229 PolarHBondContact O-N 3.37Å; S226-T229 PolarHBondContact OG-N 2.75Å; S226-T229 PolarHBondContact OG-OG1 2.79Å; S226-F230 PolarHBondContact O-N 2.77Å
227	Q	88.5	Confident	92	Very high	114 Å²	114	31.3 Å²	31.3	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-56.7	-35.5	175.2	-168.6	-177	28.8	0	0	112.6	F230 L231	Q227-F230 PolarHBondContact O-N 3.26Å; Q227-L231 HydrophobicContact CG-CD1 4.06Å; Q227-L231 WeakPolarHBondContact O-CB 3.25Å; Q227-L231 VanDerWaalsContact O-CG 3.27Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.29Å
228	Y	88.3	Confident	91.7	Very high	124 Å²	124	29.4 Å²	29.4	49%	0.486	14%	0.14	S	C	.	.	H	α-helix	trans	-65.1	-42.1	173.8	-179.5	-90.3	0	0	0	111.8	S226 L231 K232 F555	S226-Y228 PolarHBondContact O-N 2.96Å; S226-Y228 PolarHBondContact OG-N 3.39Å; Y228-L231 PolarHBondContact O-N 3.03Å; Y228-K232 WeakPolarHBondContact O-CB 3.45Å; Y228-K232 PolarHBondContact O-N 3Å; Y228-F555 HydrophobicContact CD2-CD1 4.02Å; Y228-F555 AromaticContact CD2-CE1 3.7Å; Y228-F555 HydrophobicContact CD2-CE1 3.7Å; Y228-F555 AromaticContact CE2-CD1 3.89Å; Y228-F555 HydrophobicContact CE2-CD1 3.89Å; Y228-F555 AromaticContact CE2-CE1 4Å; Y228-F555 HydrophobicContact CE2-CE1 4Å
229	T	91.4	Very high	91.5	Very high	13 Å²	13	28.3 Å²	28.3	8%	0.08	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-45.7	174.8	-47.7	0	0	0	0	110.6	F128 F221 I225 S226 L231 K232 W233	F128-T229 HydrophobicContact CD1-CG2 4.12Å; F128-T229 HydrophobicContact CE1-CG2 3.75Å; F221-T229 HydrophobicContact CE2-CG2 4.21Å; F221-T229 WeakPolarHBondContact CZ-OG1 3.45Å; I225-T229 HydrophobicContact CB-CG2 4.11Å; I225-T229 HydrophobicContact CD1-CG2 4.27Å; I225-T229 HydrophobicContact CG2-CG2 4.07Å; S226-T229 CarbonylContact O-C 3.57Å; S226-T229 WeakPolarHBondContact O-CA 3.35Å; S226-T229 VanDerWaalsContact O-CB 3.32Å; S226-T229 WeakPolarHBondContact O-CB 3.32Å; S226-T229 PolarHBondContact O-N 3.37Å; S226-T229 PolarHBondContact OG-N 2.75Å; S226-T229 PolarHBondContact OG-OG1 2.79Å; T229-L231 PolarHBondContact O-N 2.83Å; T229-K232 PolarHBondContact O-N 3.38Å; T229-W233 WeakPolarHBondContact O-CB 3.48Å; T229-W233 PolarHBondContact O-N 2.88Å
230	F	92.1	Very high	91.1	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.096	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-48.5	176.6	173.3	-106.7	0	0	0	111.7	I225 S226 Q227 K232 W233 R234 L237 Y240	I225-F230 HydrophobicContact CD1-CB 3.84Å; I225-F230 HydrophobicContact CD1-CD2 4.47Å; I225-F230 HydrophobicContact CG1-CB 4.3Å; S226-F230 PolarHBondContact O-N 2.77Å; Q227-F230 PolarHBondContact O-N 3.26Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.08Å; F230-W233 CarbonylContact O-C 3.57Å; F230-W233 PolarHBondContact O-N 2.89Å; F230-W233 VanDerWaalsContact O-N 3.16Å; F230-R234 WeakPolarHBondContact O-CA 3.3Å; F230-R234 PolarHBondContact O-N 3.07Å; F230-L237 HydrophobicContact CD2-CD1 3.79Å; F230-L237 HydrophobicContact CE2-CD1 4.47Å; F230-Y240 HydrophobicContact CE2-CD1 4.26Å; F230-Y240 AromaticContact CZ-CD1 3.85Å; F230-Y240 HydrophobicContact CZ-CD1 3.85Å
231	L	89.8	Confident	90.8	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-72.9	-17.5	179.5	-65.4	172.5	0	0	0	114.4	Q227 Y228 T229 L541 L553 F555	Q227-L231 HydrophobicContact CG-CD1 4.06Å; Q227-L231 WeakPolarHBondContact O-CB 3.25Å; Q227-L231 VanDerWaalsContact O-CG 3.27Å; Q227-L231 WeakPolarHBondContact O-CG 3.42Å; Q227-L231 PolarHBondContact O-N 3.29Å; Y228-L231 PolarHBondContact O-N 3.03Å; T229-L231 PolarHBondContact O-N 2.83Å; L231-L541 HydrophobicContact CD1-CD2 3.79Å; L231-L541 HydrophobicContact CD2-CD2 3.75Å; L231-L541 HydrophobicContact CD2-CG 4.25Å; L231-L541 HydrophobicContact CG-CD2 4.36Å; L231-L553 HydrophobicContact CD1-CD1 3.58Å; L231-L553 HydrophobicContact CD1-CD2 3.94Å; L231-L553 HydrophobicContact CD1-CG 4.43Å; L231-F555 HydrophobicContact CB-CZ 4.1Å; L231-F555 HydrophobicContact CD1-CZ 3.87Å
232	K	87.6	Confident	90.6	Very high	40 Å²	40	30.8 Å²	30.8	17%	0.174	14%	0.143	C	C	.	.	H	α-helix	trans	-77.2	-38.1	167.5	175.5	-177	163.4	-176.2	0	111.5	N131 K132 D218 Y228 T229 F230	N131-K232 PolarHBondContact O-NZ 2.79Å; K132-K232 PolarHBondContact O-NZ 2.95Å; D218-K232 IonicContact OD2-NZ 2.74Å; D218-K232 PolarHBondContact OD2-NZ 2.89Å; Y228-K232 WeakPolarHBondContact O-CB 3.45Å; Y228-K232 PolarHBondContact O-N 3Å; T229-K232 PolarHBondContact O-N 3.38Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.08Å
233	W	90.5	Very high	90.3	Very high	6 Å²	6	30.8 Å²	30.8	2%	0.023	14%	0.143	C	C	.	.	H	α-helix	trans	-109.8	4.3	-168.9	-71.4	102.8	0	0	0	115.1	F128 S130 G134 F137 T229 F230 E235 K236 L237	F128-W233 AromaticContact CE1-CD1 3.88Å; F128-W233 HydrophobicContact CE1-CG 4.31Å; F128-W233 AromaticContact CE1-NE1 3.9Å; F128-W233 HydrophobicContact CZ-CB 4.3Å; F128-W233 AromaticContact CZ-CD1 3.69Å; F128-W233 AromaticContact CZ-CD2 3.73Å; F128-W233 HydrophobicContact CZ-CD2 3.73Å; F128-W233 AromaticContact CZ-CE2 3.82Å; F128-W233 HydrophobicContact CZ-CE3 4.33Å; F128-W233 AromaticContact CZ-CG 3.68Å; F128-W233 HydrophobicContact CZ-CG 3.68Å; F128-W233 AromaticContact CZ-NE1 3.74Å; S130-W233 WeakPolarHBondContact OG-CZ2 3.42Å; S130-W233 PolarHBondContact OG-NE1 3.45Å; G134-W233 VanDerWaalsContact CA-CH2 3.43Å; F137-W233 HydrophobicContact CB-CH2 3.96Å; F137-W233 HydrophobicContact CB-CZ3 3.99Å; F137-W233 AromaticContact CD1-CZ3 3.89Å; F137-W233 HydrophobicContact CD1-CZ3 3.89Å; F137-W233 HydrophobicContact CG-CZ3 4.14Å; T229-W233 WeakPolarHBondContact O-CB 3.48Å; T229-W233 PolarHBondContact O-N 2.88Å; F230-W233 CarbonylContact O-C 3.57Å; F230-W233 PolarHBondContact O-N 2.89Å; F230-W233 VanDerWaalsContact O-N 3.16Å; W233-E235 VanDerWaalsContact C-N 3.27Å; W233-E235 PolarHBondContact O-N 3.12Å; W233-K236 HydrophobicContact CE3-CB 4.28Å; W233-K236 HydrophobicContact CE3-CG 4.11Å; W233-K236 HydrophobicContact CZ3-CG 4.47Å; W233-K236 PolarHBondContact O-N 3.44Å; W233-L237 HydrophobicContact CB-CD1 4.03Å; W233-L237 HydrophobicContact CB-CG 4.19Å
234	R	89.1	Confident	90.2	Very high	16 Å²	16	31 Å²	31	6%	0.06	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-42.2	-47.2	-171.2	178.4	69.3	-152.1	100.2	-7.3	114.2	F230 K236 L237 Y240 E403 N539	F230-R234 WeakPolarHBondContact O-CA 3.3Å; F230-R234 PolarHBondContact O-N 3.07Å; R234-K236 PolarHBondContact O-N 2.96Å; R234-K236 VanDerWaalsContact O-N 3.14Å; R234-L237 PolarHBondContact NH1-O 3.4Å; R234-L237 PolarHBondContact O-N 3.42Å; R234-Y240 VanDerWaalsContact NH2-CE1 3.33Å; R234-Y240 PolarHBondContact NH2-OH 3.25Å; R234-Y240 VanDerWaalsContact NH2-OH 3.09Å; R234-E403 IonicContact CZ-OE1 2.69Å; R234-E403 VanDerWaalsContact CZ-OE1 3.25Å; R234-E403 IonicContact CZ-OE2 2.94Å; R234-E403 IonicContact NE-OE1 3.85Å; R234-E403 PolarHBondContact NE-OE1 2.76Å; R234-E403 IonicContact NE-OE2 3.16Å; R234-E403 IonicContact NH2-OE1 2.79Å; R234-E403 PolarHBondContact NH2-OE1 2.98Å; R234-E403 IonicContact NH2-OE2 2.77Å; R234-E403 PolarHBondContact NH2-OE2 2.71Å; R234-N539 HydrophobicContact CG-CB 4.47Å
235	E	83.9	Confident	90.1	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.271	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-74.8	6.8	-177.8	64.1	112.2	-148.6	0	0	115.5	W233 T399 R400	W233-E235 VanDerWaalsContact C-N 3.27Å; W233-E235 PolarHBondContact O-N 3.12Å; E235-T399 HydrophobicContact CB-CG2 4.09Å; E235-T399 HydrophobicContact CG-CG2 4.21Å; E235-T399 WeakPolarHBondContact OE2-CA 3.32Å; E235-R400 PolarHBondContact OE2-N 2.82Å
236	K	86.8	Confident	90.2	Very high	50 Å²	50	30 Å²	30	22%	0.217	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-119.8	-5.1	172.5	-62.7	-66.1	-171.4	-81.4	0	113.6	F137 M139 W233 R234	F137-K236 HydrophobicContact CE1-CB 4.4Å; F137-K236 HydrophobicContact CE1-CD 4.08Å; F137-K236 HydrophobicContact CE1-CG 4.32Å; F137-K236 HydrophobicContact CZ-CB 4.27Å; F137-K236 HydrophobicContact CZ-CD 4.41Å; M139-K236 WeakPolarHBondContact CE-O 3.5Å; W233-K236 HydrophobicContact CE3-CB 4.28Å; W233-K236 HydrophobicContact CE3-CG 4.11Å; W233-K236 HydrophobicContact CZ3-CG 4.47Å; W233-K236 PolarHBondContact O-N 3.44Å; R234-K236 PolarHBondContact O-N 2.96Å; R234-K236 VanDerWaalsContact O-N 3.14Å
237	L	89.5	Confident	90.4	Very high	3 Å²	3	29 Å²	29	2%	0.016	13%	0.132	C	C	.	.			trans	-107.2	133.6	-174.5	-58.7	174.2	0	0	0	110.5	F128 M139 I225 F230 W233 R234	F128-L237 HydrophobicContact CD2-CD2 4.26Å; F128-L237 HydrophobicContact CE2-CD2 4.12Å; M139-L237 HydrophobicContact CE-CD2 4.23Å; M139-L237 HydrophobicContact SD-CD2 3.41Å; M139-L237 WeakPolarHBondContact SD-CD2 3.45Å; I225-L237 HydrophobicContact CD1-CD1 3.52Å; F230-L237 HydrophobicContact CD2-CD1 3.79Å; F230-L237 HydrophobicContact CE2-CD1 4.47Å; W233-L237 HydrophobicContact CB-CD1 4.03Å; W233-L237 HydrophobicContact CB-CG 4.19Å; R234-L237 PolarHBondContact NH1-O 3.4Å; R234-L237 PolarHBondContact O-N 3.42Å
238	N	86.6	Confident	90.8	Very high	44 Å²	44	23.7 Å²	23.7	24%	0.235	11%	0.108	C	C	.	.	S	Bend	trans	-90.7	-42.4	168.3	-57.2	-75.1	0	0	0	110.2	E141 I143 H159	E141-N238 PolarHBondContact OE1-ND2 3.3Å; E141-N238 PolarHBondContact OE2-N 2.62Å; I143-N238 HydrophobicContact CD1-CB 3.62Å; I143-N238 HydrophobicContact CG1-CB 4.37Å; H159-N238 PolarHBondContact CE1-ND2 3.38Å
239	S	88.9	Confident	91.2	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.063	9%	0.094	C	C	.	.			trans	-70.8	130.4	175.1	-57.4	0	0	0	0	112.9	E141	E141-S239 WeakPolarHBondContact CB-OG 3.38Å; E141-S239 VanDerWaalsContact OE2-CB 3.27Å; E141-S239 WeakPolarHBondContact OE2-CB 3.47Å; E141-S239 PolarHBondContact OE2-N 3.43Å; E141-S239 PolarHBondContact OE2-OG 2.62Å
240	Y	86.3	Confident	91.5	Very high	55 Å²	55	19.1 Å²	19.1	22%	0.216	9%	0.091	C	C	.	.	S	Bend	trans	-85.4	-29.5	172.5	-65.5	-98.5	0	0	0	112.8	F230 R234 L344 E403 Y537	F230-Y240 HydrophobicContact CE2-CD1 4.26Å; F230-Y240 AromaticContact CZ-CD1 3.85Å; F230-Y240 HydrophobicContact CZ-CD1 3.85Å; R234-Y240 VanDerWaalsContact NH2-CE1 3.33Å; R234-Y240 PolarHBondContact NH2-OH 3.25Å; R234-Y240 VanDerWaalsContact NH2-OH 3.09Å; Y240-L344 HydrophobicContact CE1-CD1 4.04Å; Y240-L344 HydrophobicContact CE1-CD2 4Å; Y240-L344 HydrophobicContact CE1-CG 4.46Å; Y240-L344 HydrophobicContact CE2-CD1 4.06Å; Y240-E403 PolarHBondContact OH-OE2 3.44Å; Y240-E403 VanDerWaalsContact OH-OE2 3.09Å; Y240-Y537 WeakPolarHBondContact CE1-OH 3.42Å
241	H	90.6	Very high	91.6	Very high	31 Å²	31	18.1 Å²	18.1	14%	0.144	9%	0.087	C	C	.	.	S	Bend	trans	-122.8	167.7	-175.8	-54.3	-86.4	0	0	0	110.8	A96 D97 L125 L332 A341	A96-H241 HydrophobicContact CB-CB 4.24Å; D97-H241 IonicContact OD1-ND1 3.95Å; D97-H241 PolarHBondContact OD1-ND1 2.73Å; L125-H241 PolarHBondContact N-O 3Å; H241-L332 HydrophobicContact CB-CD1 4.41Å; H241-A341 WeakPolarHBondContact NE2-CB 3.14Å
242	G	93.8	Very high	91.9	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-71.4	-167.5	165.1	0	0	0	0	0	113.2	A96 Q121 G124 G223	A96-G242 WeakPolarHBondContact CB-O 3.47Å; A96-G242 CarbonylContact O-C 3.56Å; A96-G242 WeakPolarHBondContact O-CA 3.34Å; A96-G242 PolarHBondContact O-N 3.35Å; Q121-G242 PolarHBondContact NE2-O 3.31Å; G124-G242 WeakPolarHBondContact CA-O 3.34Å; G223-G242 CarbonylContact O-C 3.52Å; G223-G242 WeakPolarHBondContact O-CA 3.44Å
243	F	92.2	Very high	92.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.			trans	-114.2	136.7	176.8	92.8	-76.7	0	0	0	111.9	F93 T119 L126 G223 F247	F93-F243 HydrophobicContact CD2-CE1 4.03Å; F93-F243 HydrophobicContact CD2-CZ 4.14Å; F93-F243 HydrophobicContact CE2-CE1 4.35Å; T119-F243 HydrophobicContact CG2-CD2 4.39Å; L126-F243 HydrophobicContact CD2-CB 3.85Å; L126-F243 HydrophobicContact CD2-CD1 3.44Å; L126-F243 VanDerWaalsContact CD2-CD1 3.44Å; L126-F243 HydrophobicContact CD2-CD2 3.77Å; L126-F243 HydrophobicContact CD2-CE1 3.85Å; L126-F243 HydrophobicContact CD2-CE2 4.15Å; L126-F243 HydrophobicContact CD2-CG 3.39Å; L126-F243 HydrophobicContact CD2-CZ 4.19Å; G223-F243 PolarHBondContact O-N 3.04Å; F243-F247 HydrophobicContact CE1-CD2 4.24Å; F243-F247 HydrophobicContact CZ-CB 4.11Å; F243-F247 HydrophobicContact CZ-CD2 4.2Å
244	Q	93.7	Very high	91.8	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.023	13%	0.127	C	C	.	.			trans	-80.1	127.7	162.5	-167.4	-71.9	-67.4	0	0	108.5	F93 K94 T119 R288	F93-Q244 PolarHBondContact O-NE2 3.08Å; K94-Q244 VanDerWaalsContact O-CG 3.27Å; K94-Q244 WeakPolarHBondContact O-CG 3.27Å; T119-Q244 WeakPolarHBondContact CB-O 3.4Å; T119-Q244 PolarHBondContact OG1-O 2.71Å; Q244-R288 VanDerWaalsContact OE1-CD 3.28Å
245	G	95.2	Very high	92	Very high	4 Å²	4	27 Å²	27	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.7	-162.1	174.9	0	0	0	0	0	113.6	T92 F93 R118	T92-G245 CarbonylContact C-O 3.49Å; T92-G245 WeakPolarHBondContact CA-O 3.47Å; F93-G245 PolarHBondContact N-O 3.28Å; F93-G245 PolarHBondContact O-N 3.04Å; R118-G245 CarbonylContact O-C 3.59Å; R118-G245 WeakPolarHBondContact O-CA 3.45Å
246	C	96.8	Very high	92.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144.1	173.9	-50.3	0	0	0	0	111.8	I91 F117 R118 W172 C285	I91-C246 CarbonylContact O-C 3.5Å; I91-C246 VanDerWaalsContact O-CA 3.26Å; I91-C246 WeakPolarHBondContact O-CA 3.31Å; F117-C246 CarbonylContact C-O 3.56Å; F117-C246 VanDerWaalsContact CA-O 3.26Å; F117-C246 WeakPolarHBondContact CA-O 3.36Å; R118-C246 HydrophobicContact CB-CB 4.17Å; R118-C246 PolarHBondContact N-O 2.69Å; R118-C246 PolarHBondContact O-N 3.15Å; W172-C246 HydrophobicContact CH2-CB 3.57Å; W172-C246 HydrophobicContact CZ2-CB 4.02Å; W172-C246 HydrophobicContact CZ3-CB 4.1Å; C246-C285 HydrophobicContact CB-CB 3.67Å; C246-C285 WeakPolarHBondContact CB-SG 3.42Å; C246-C285 WeakPolarHBondContact SG-CA 3.44Å; C246-C285 WeakPolarHBondContact SG-CB 3.29Å; C246-C285 CovalentContact SG-SG 2.04Å; C246-C285 PolarHBondContact SG-SG 2.95Å
247	F	97.6	Very high	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.6	167.6	-160.6	-92.4	0	0	0	108.6	S90 I91 F93 F115 S116 F117 L127 I222 F243 F250 L260	S90-F247 CarbonylContact C-O 3.41Å; S90-F247 VanDerWaalsContact CA-O 3.22Å; S90-F247 WeakPolarHBondContact CA-O 3.29Å; I91-F247 HydrophobicContact CG1-CB 4.06Å; I91-F247 PolarHBondContact N-O 3.22Å; I91-F247 PolarHBondContact O-N 3.38Å; F93-F247 HydrophobicContact CD2-CB 4.47Å; F93-F247 HydrophobicContact CE2-CB 3.95Å; F115-F247 HydrophobicContact CB-CE1 3.93Å; F115-F247 HydrophobicContact CB-CE2 4.23Å; F115-F247 HydrophobicContact CB-CZ 3.56Å; F115-F247 HydrophobicContact CD1-CZ 4.47Å; F115-F247 HydrophobicContact CD2-CD2 4.4Å; F115-F247 AromaticContact CD2-CE2 3.51Å; F115-F247 HydrophobicContact CD2-CE2 3.51Å; F115-F247 AromaticContact CD2-CZ 3.69Å; F115-F247 HydrophobicContact CD2-CZ 3.69Å; F115-F247 HydrophobicContact CE2-CE2 4.05Å; F115-F247 HydrophobicContact CE2-CZ 4.49Å; F115-F247 HydrophobicContact CG-CE2 4.02Å; F115-F247 AromaticContact CG-CZ 3.69Å; F115-F247 HydrophobicContact CG-CZ 3.69Å; S116-F247 CarbonylContact O-C 3.52Å; S116-F247 WeakPolarHBondContact O-CA 3.26Å; F117-F247 HydrophobicContact CB-CD2 4.45Å; L127-F247 HydrophobicContact CD1-CZ 4.3Å; I222-F247 HydrophobicContact CD1-CE1 4.12Å; I222-F247 HydrophobicContact CG2-CB 4.48Å; I222-F247 HydrophobicContact CG2-CD1 3.75Å; I222-F247 HydrophobicContact CG2-CD2 3.9Å; I222-F247 HydrophobicContact CG2-CE1 3.8Å; I222-F247 HydrophobicContact CG2-CE2 3.96Å; I222-F247 HydrophobicContact CG2-CG 3.79Å; I222-F247 HydrophobicContact CG2-CZ 3.91Å; F243-F247 HydrophobicContact CE1-CD2 4.24Å; F243-F247 HydrophobicContact CZ-CB 4.11Å; F243-F247 HydrophobicContact CZ-CD2 4.2Å; F247-F250 HydrophobicContact CE1-CB 4.13Å; F247-F250 AromaticContact CE1-CD2 3.76Å; F247-F250 HydrophobicContact CE1-CD2 3.76Å; F247-F250 HydrophobicContact CE1-CG 4.23Å; F247-F250 HydrophobicContact CZ-CD2 4.12Å; F247-L260 HydrophobicContact CD1-CD1 3.68Å; F247-L260 HydrophobicContact CE1-CD1 3.79Å
248	G	96.7	Very high	93	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-174.6	-179.5	0	0	0	0	0	113.6	S116 F250	S116-G248 PolarHBondContact N-O 3.18Å; S116-G248 PolarHBondContact O-N 2.93Å; G248-F250 PolarHBondContact O-N 3.33Å; G248-F250 VanDerWaalsContact O-N 3.1Å
249	N	95.7	Very high	93.4	Very high	39 Å²	39	29.2 Å²	29.2	21%	0.209	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.5	33.8	176.7	-162.1	34.6	0	0	0	114.4	L88 H174 S251	L88-N249 PolarHBondContact O-N 3.09Å; H174-N249 PolarHBondContact CE1-ND2 3.26Å; N249-S251 PolarHBondContact O-N 3.42Å
250	F	97	Very high	93.7	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.8	-171.7	-175	-106.1	0	0	0	112.4	M105 V113 Q114 F115 L127 L220 F247 G248 I252 A257 Y258 L260	M105-F250 HydrophobicContact SD-CZ 4.01Å; V113-F250 HydrophobicContact CG1-CE2 4.22Å; Q114-F250 WeakPolarHBondContact O-CA 3.4Å; F115-F250 HydrophobicContact CB-CD2 4.07Å; L127-F250 HydrophobicContact CD1-CE2 3.71Å; L127-F250 HydrophobicContact CD1-CZ 4.38Å; L220-F250 HydrophobicContact CD2-CE1 3.96Å; L220-F250 HydrophobicContact CD2-CZ 3.63Å; F247-F250 HydrophobicContact CE1-CB 4.13Å; F247-F250 AromaticContact CE1-CD2 3.76Å; F247-F250 HydrophobicContact CE1-CD2 3.76Å; F247-F250 HydrophobicContact CE1-CG 4.23Å; F247-F250 HydrophobicContact CZ-CD2 4.12Å; G248-F250 PolarHBondContact O-N 3.33Å; G248-F250 VanDerWaalsContact O-N 3.1Å; F250-I252 HydrophobicContact CE1-CD1 3.69Å; F250-I252 HydrophobicContact CE1-CG1 3.85Å; F250-I252 HydrophobicContact CZ-CD1 3.75Å; F250-I252 HydrophobicContact CZ-CG1 3.85Å; F250-A257 WeakPolarHBondContact O-CA 3.44Å; F250-Y258 HydrophobicContact CD1-CE1 4.32Å; F250-Y258 HydrophobicContact CD1-CE2 4.2Å; F250-Y258 AromaticContact CD1-CZ 3.76Å; F250-Y258 WeakPolarHBondContact CE1-OH 3.42Å; F250-L260 HydrophobicContact CB-CD1 3.66Å; F250-L260 HydrophobicContact CB-CD2 4.44Å; F250-L260 HydrophobicContact CB-CG 4.03Å; F250-L260 HydrophobicContact CD1-CD1 4.23Å; F250-L260 HydrophobicContact CD1-CD2 3.49Å; F250-L260 VanDerWaalsContact CD1-CD2 3.49Å; F250-L260 HydrophobicContact CD1-CG 4.01Å; F250-L260 HydrophobicContact CE1-CD2 3.91Å; F250-L260 HydrophobicContact CG-CD1 3.95Å; F250-L260 HydrophobicContact CG-CD2 4.08Å; F250-L260 HydrophobicContact CG-CG 4.2Å
251	S	95.5	Very high	94.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.5	178.4	76.5	0	0	0	0	111.8	Q114 N249 L255	Q114-S251 WeakPolarHBondContact CB-OG 3.37Å; Q114-S251 VanDerWaalsContact CG-OG 3.28Å; Q114-S251 WeakPolarHBondContact CG-OG 3.41Å; Q114-S251 PolarHBondContact N-O 2.92Å; Q114-S251 VanDerWaalsContact N-O 3.14Å; Q114-S251 PolarHBondContact N-OG 2.82Å; Q114-S251 PolarHBondContact O-N 3.01Å; Q114-S251 PolarHBondContact OE1-OG 3.02Å; N249-S251 PolarHBondContact O-N 3.42Å; S251-L255 WeakPolarHBondContact CB-O 3.48Å
252	I	95.2	Very high	94.3	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.087	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.2	171.5	-56.9	176.7	0	0	0	108.4	M105 L107 N112 F250 G254 L255	M105-I252 HydrophobicContact CB-CD1 4.18Å; M105-I252 HydrophobicContact CG-CD1 3.7Å; M105-I252 HydrophobicContact SD-CD1 3.99Å; L107-I252 HydrophobicContact CD2-CG2 4.03Å; N112-I252 CarbonylContact O-C 3.38Å; N112-I252 WeakPolarHBondContact O-CA 3.31Å; F250-I252 HydrophobicContact CE1-CD1 3.69Å; F250-I252 HydrophobicContact CE1-CG1 3.85Å; F250-I252 HydrophobicContact CZ-CD1 3.75Å; F250-I252 HydrophobicContact CZ-CG1 3.85Å; I252-G254 VanDerWaalsContact C-N 3.26Å; I252-G254 PolarHBondContact O-N 3.21Å; I252-L255 VanDerWaalsContact O-CB 3.31Å; I252-L255 WeakPolarHBondContact O-CB 3.47Å; I252-L255 WeakPolarHBondContact O-CG 3.44Å; I252-L255 PolarHBondContact O-N 2.95Å
253	N	91.9	Very high	94.4	Very high	70 Å²	70	32.8 Å²	32.8	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	39.4	175	-60.5	-19.3	0	0	0	113.7	H106 F111 N112 L255	H106-N253 PolarHBondContact O-ND2 2.77Å; F111-N253 WeakPolarHBondContact CA-OD1 3.4Å; F111-N253 WeakPolarHBondContact CB-OD1 3.23Å; N112-N253 PolarHBondContact N-OD1 3.29Å; N112-N253 PolarHBondContact O-N 3.25Å; N253-L255 PolarHBondContact O-N 3.42Å
254	G	85.5	Confident	94.5	Very high	62 Å²	62	32.8 Å²	32.8	64%	0.639	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	7.9	179.5	0	0	0	0	0	115.3	I252	I252-G254 VanDerWaalsContact C-N 3.26Å; I252-G254 PolarHBondContact O-N 3.21Å
255	L	92.3	Very high	94.6	Very high	110 Å²	110	36.2 Å²	36.2	58%	0.576	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-68.8	146	168.4	-62.6	175	0	0	0	109.9	S251 I252 N253	S251-L255 WeakPolarHBondContact CB-O 3.48Å; I252-L255 VanDerWaalsContact O-CB 3.31Å; I252-L255 WeakPolarHBondContact O-CB 3.47Å; I252-L255 WeakPolarHBondContact O-CG 3.44Å; I252-L255 PolarHBondContact O-N 2.95Å; N253-L255 PolarHBondContact O-N 3.42Å
256	P	92.7	Very high	94.6	Very high	108 Å²	108	43.9 Å²	43.9	70%	0.701	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-60.4	150.8	175.8	27.2	-35.6	0	0	0	111.3
257	A	94.7	Very high	94.5	Very high	19 Å²	19	50 Å²	50	16%	0.157	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-56.6	147.2	175.2	0	0	0	0	0	111.7	L88 Y89 F250	L88-A257 HydrophobicContact CB-CB 4.43Å; Y89-A257 WeakPolarHBondContact CE2-O 3.36Å; F250-A257 WeakPolarHBondContact O-CA 3.44Å
258	Y	94.4	Very high	94.3	Very high	42 Å²	42	52.5 Å²	52.5	17%	0.165	28%	0.278	C	S	.	.			trans	-143	162.8	-172.9	57.5	-96.8	0	0	0	112.6	Y89 H102 F250 L260 K263	Y89-Y258 VanDerWaalsContact CD2-C 3.49Å; H102-Y258 PolarHBondContact CE1-OH 2.72Å; H102-Y258 AromaticContact NE2-CE2 3.57Å; F250-Y258 HydrophobicContact CD1-CE1 4.32Å; F250-Y258 HydrophobicContact CD1-CE2 4.2Å; F250-Y258 AromaticContact CD1-CZ 3.76Å; F250-Y258 WeakPolarHBondContact CE1-OH 3.42Å; Y258-L260 HydrophobicContact CE2-CD2 4.12Å; Y258-L260 PolarHBondContact O-N 3.06Å; Y258-K263 HydrophobicContact CD2-CD 3.68Å; Y258-K263 HydrophobicContact CE2-CD 3.46Å; Y258-K263 VanDerWaalsContact CE2-CD 3.46Å; Y258-K263 PolarHBondContact OH-NZ 3.24Å; Y258-K263 VanDerWaalsContact OH-NZ 3.08Å
259	N	94.7	Very high	93.9	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.171	32%	0.315	C	S	.	.			trans	-70.9	101.1	178.3	-165.8	-14.7	0	0	0	112.2	Y89 L261 D262 K263	Y89-N259 HydrophobicContact CD1-CB 3.73Å; Y89-N259 HydrophobicContact CE1-CB 4.42Å; Y89-N259 HydrophobicContact CG-CB 4.1Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 2.82Å; N259-L261 WeakPolarHBondContact OD1-CB 3.48Å; N259-L261 PolarHBondContact OD1-N 2.85Å; N259-D262 HydrophobicContact CB-CB 4.09Å; N259-D262 PolarHBondContact ND2-OD1 2.99Å; N259-D262 PolarHBondContact ND2-OD2 3.01Å; N259-D262 PolarHBondContact OD1-N 3.09Å; N259-K263 VanDerWaalsContact O-CB 3.29Å; N259-K263 WeakPolarHBondContact O-CB 3.35Å; N259-K263 PolarHBondContact O-N 2.99Å; N259-K263 VanDerWaalsContact O-N 3.12Å
260	L	94.8	Very high	93.5	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-54.3	-45.9	172.6	-83.4	171.9	0	0	0	112.8	I91 L100 I222 F247 F250 Y258 K263 A264	I91-L260 HydrophobicContact CD1-CB 4.39Å; I91-L260 HydrophobicContact CD1-CD1 4.39Å; L100-L260 HydrophobicContact CD2-CB 3.77Å; I222-L260 HydrophobicContact CD1-CD1 3.57Å; I222-L260 HydrophobicContact CD1-CD2 3.51Å; I222-L260 HydrophobicContact CD1-CG 4.17Å; F247-L260 HydrophobicContact CD1-CD1 3.68Å; F247-L260 HydrophobicContact CE1-CD1 3.79Å; F250-L260 HydrophobicContact CB-CD1 3.66Å; F250-L260 HydrophobicContact CB-CD2 4.44Å; F250-L260 HydrophobicContact CB-CG 4.03Å; F250-L260 HydrophobicContact CD1-CD1 4.23Å; F250-L260 HydrophobicContact CD1-CD2 3.49Å; F250-L260 VanDerWaalsContact CD1-CD2 3.49Å; F250-L260 HydrophobicContact CD1-CG 4.01Å; F250-L260 HydrophobicContact CE1-CD2 3.91Å; F250-L260 HydrophobicContact CG-CD1 3.95Å; F250-L260 HydrophobicContact CG-CD2 4.08Å; F250-L260 HydrophobicContact CG-CG 4.2Å; Y258-L260 HydrophobicContact CE2-CD2 4.12Å; Y258-L260 PolarHBondContact O-N 3.06Å; L260-K263 PolarHBondContact O-N 3.37Å; L260-A264 VanDerWaalsContact O-CB 3.23Å; L260-A264 WeakPolarHBondContact O-CB 3.17Å; L260-A264 PolarHBondContact O-N 3.46Å
261	L	94.9	Very high	93.3	Very high	3 Å²	3	66 Å²	66	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-44.4	-173.8	-177.9	59.6	0	0	0	111.6	I91 L100 N259 K265 W272 I281 P283	I91-L261 HydrophobicContact CG2-CB 4.06Å; L100-L261 HydrophobicContact CD1-CD1 3.86Å; N259-L261 VanDerWaalsContact C-N 3.34Å; N259-L261 PolarHBondContact O-N 2.82Å; N259-L261 WeakPolarHBondContact OD1-CB 3.48Å; N259-L261 PolarHBondContact OD1-N 2.85Å; L261-K265 HydrophobicContact CD1-CD 4.24Å; L261-K265 HydrophobicContact CG-CD 4.24Å; L261-K265 WeakPolarHBondContact O-CB 3.14Å; L261-K265 WeakPolarHBondContact O-CG 3.35Å; L261-K265 PolarHBondContact O-N 3.15Å; L261-W272 HydrophobicContact CD1-CE3 3.8Å; L261-W272 HydrophobicContact CD1-CH2 4.22Å; L261-W272 HydrophobicContact CD1-CZ3 3.42Å; L261-W272 VanDerWaalsContact CD1-CZ3 3.42Å; L261-I281 HydrophobicContact CD1-CG2 4.01Å; L261-P283 HydrophobicContact CD2-CB 4.46Å
262	D	94.7	Very high	93.3	Very high	96 Å²	96	66.6 Å²	66.6	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.1	-67.7	-9.3	0	0	0	111	N259 A264 K265 Q266	N259-D262 HydrophobicContact CB-CB 4.09Å; N259-D262 PolarHBondContact ND2-OD1 2.99Å; N259-D262 PolarHBondContact ND2-OD2 3.01Å; N259-D262 PolarHBondContact OD1-N 3.09Å; D262-A264 PolarHBondContact O-N 3.49Å; D262-K265 PolarHBondContact O-N 3.16Å; D262-Q266 VanDerWaalsContact O-CB 3.26Å; D262-Q266 WeakPolarHBondContact O-CB 3.48Å; D262-Q266 PolarHBondContact O-N 2.99Å
263	K	95.2	Very high	93.3	Very high	72 Å²	72	66.1 Å²	66.1	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-67.6	-35.2	179.9	-172.8	173.3	168.4	-169.8	0	112.6	H102 Y258 N259 L260 K267	H102-K263 WeakPolarHBondContact NE2-CD 3.44Å; Y258-K263 HydrophobicContact CD2-CD 3.68Å; Y258-K263 HydrophobicContact CE2-CD 3.46Å; Y258-K263 VanDerWaalsContact CE2-CD 3.46Å; Y258-K263 PolarHBondContact OH-NZ 3.24Å; Y258-K263 VanDerWaalsContact OH-NZ 3.08Å; N259-K263 VanDerWaalsContact O-CB 3.29Å; N259-K263 WeakPolarHBondContact O-CB 3.35Å; N259-K263 PolarHBondContact O-N 2.99Å; N259-K263 VanDerWaalsContact O-N 3.12Å; L260-K263 PolarHBondContact O-N 3.37Å; K263-K267 WeakPolarHBondContact O-CB 3.29Å; K263-K267 PolarHBondContact O-N 2.82Å
264	A	96	Very high	93.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-49.7	170.8	0	0	0	0	0	111.5	L100 H101 L260 D262 Q266 K267 Y268 W272	L100-A264 HydrophobicContact CD1-CB 3.56Å; L100-A264 HydrophobicContact CD2-CB 4.16Å; L100-A264 HydrophobicContact CG-CB 3.83Å; H101-A264 WeakPolarHBondContact O-CB 3.41Å; L260-A264 VanDerWaalsContact O-CB 3.23Å; L260-A264 WeakPolarHBondContact O-CB 3.17Å; L260-A264 PolarHBondContact O-N 3.46Å; D262-A264 PolarHBondContact O-N 3.49Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 2.81Å; A264-K267 PolarHBondContact O-N 2.98Å; A264-Y268 PolarHBondContact O-N 2.92Å; A264-W272 HydrophobicContact CB-CB 4.22Å
265	K	95.4	Very high	93.9	Very high	77 Å²	77	67 Å²	67	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-40.9	176.1	-75.8	171.4	176.1	174.6	0	112.4	L261 D262 I269 W272	L261-K265 HydrophobicContact CD1-CD 4.24Å; L261-K265 HydrophobicContact CG-CD 4.24Å; L261-K265 WeakPolarHBondContact O-CB 3.14Å; L261-K265 WeakPolarHBondContact O-CG 3.35Å; L261-K265 PolarHBondContact O-N 3.15Å; D262-K265 PolarHBondContact O-N 3.16Å; K265-I269 PolarHBondContact O-N 2.92Å; K265-W272 HydrophobicContact CD-CD2 4.38Å; K265-W272 VanDerWaalsContact CE-CE2 3.48Å; K265-W272 HydrophobicContact CG-CB 4.32Å; K265-W272 HydrophobicContact CG-CD2 3.62Å; K265-W272 HydrophobicContact CG-CE3 4.11Å; K265-W272 HydrophobicContact CG-CG 3.68Å
266	Q	95	Very high	93.9	Very high	165 Å²	165	67.6 Å²	67.6	77%	0.771	36%	0.36	S	S	*	.	H	α-helix	trans	-64.5	-38.2	175.9	-171.4	-174	23.7	0	0	112.4	D262 A264	D262-Q266 VanDerWaalsContact O-CB 3.26Å; D262-Q266 WeakPolarHBondContact O-CB 3.48Å; D262-Q266 PolarHBondContact O-N 2.99Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 2.81Å
267	K	94.8	Very high	94.1	Very high	132 Å²	132	62.7 Å²	62.7	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-79.1	-37.9	179.5	-176.2	66.1	177.4	-179.5	0	113.1	P103 K263 A264	P103-K267 HydrophobicContact CG-CB 4.1Å; P103-K267 HydrophobicContact CG-CD 4.43Å; P103-K267 HydrophobicContact CG-CG 3.92Å; K263-K267 WeakPolarHBondContact O-CB 3.29Å; K263-K267 PolarHBondContact O-N 2.82Å; A264-K267 PolarHBondContact O-N 2.98Å
268	Y	93.1	Very high	94.1	Very high	51 Å²	51	65.9 Å²	65.9	20%	0.2	34%	0.336	C	S	.	.			trans	-130.2	68.7	-168.9	-56.8	-73.9	0	0	0	111.4	H101 A264 S270 N271 W272	H101-Y268 AromaticContact CE1-CD1 3.6Å; H101-Y268 AromaticContact CE1-CE1 3.43Å; H101-Y268 VanDerWaalsContact CE1-CE1 3.43Å; H101-Y268 WeakPolarHBondContact CE1-CE1 3.31Å; H101-Y268 AromaticContact CE1-CE2 3.94Å; H101-Y268 AromaticContact CE1-CG 3.93Å; H101-Y268 AromaticContact CE1-CZ 3.61Å; H101-Y268 AromaticContact ND1-CD1 3.71Å; H101-Y268 AromaticContact ND1-CD2 3.55Å; H101-Y268 AromaticContact ND1-CE1 3.88Å; H101-Y268 AromaticContact ND1-CE2 3.73Å; H101-Y268 AromaticContact ND1-CG 3.53Å; H101-Y268 AromaticContact ND1-CZ 3.88Å; H101-Y268 WeakPolarHBondContact O-CD2 3.37Å; A264-Y268 PolarHBondContact O-N 2.92Å; Y268-S270 VanDerWaalsContact C-N 3.27Å; Y268-S270 PolarHBondContact O-N 2.93Å; Y268-N271 CarbonylContact O-C 3.58Å; Y268-N271 PolarHBondContact O-N 2.8Å; Y268-W272 WeakPolarHBondContact O-CB 3.39Å; Y268-W272 PolarHBondContact O-N 2.91Å
269	I	88.5	Confident	94.1	Very high	153 Å²	153	70 Å²	70	79%	0.785	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.6	-51.2	-172.3	-59.5	170.6	0	0	0	114.2	K265	K265-I269 PolarHBondContact O-N 2.92Å
270	S	87.4	Confident	94.1	Very high	69 Å²	69	71.2 Å²	71.2	48%	0.483	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-13.2	178.5	58	0	0	0	0	115	Y268 Y278	Y268-S270 VanDerWaalsContact C-N 3.27Å; Y268-S270 PolarHBondContact O-N 2.93Å; S270-Y278 PolarHBondContact O-OH 2.81Å
271	N	92.4	Very high	94.1	Very high	105 Å²	105	71.2 Å²	71.2	56%	0.561	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	31.3	-166.7	-64.2	27.1	0	0	0	111.5	H101 Y268 T273	H101-N271 PolarHBondContact ND1-O 2.81Å; Y268-N271 CarbonylContact O-C 3.58Å; Y268-N271 PolarHBondContact O-N 2.8Å; N271-T273 VanDerWaalsContact C-N 3.3Å
272	W	95.2	Very high	94.1	Very high	13 Å²	13	73 Å²	73	5%	0.049	38%	0.375	C	S	.	.	S	Bend	trans	-77.8	-17.3	174	63.1	-87.5	0	0	0	112.4	L100 H101 L261 A264 K265 Y268 Y278 I281	L100-W272 HydrophobicContact CD1-CE3 3.82Å; L100-W272 HydrophobicContact CD1-CZ3 4.34Å; H101-W272 WeakPolarHBondContact CB-O 3Å; H101-W272 PolarHBondContact N-O 3.47Å; L261-W272 HydrophobicContact CD1-CE3 3.8Å; L261-W272 HydrophobicContact CD1-CH2 4.22Å; L261-W272 HydrophobicContact CD1-CZ3 3.42Å; L261-W272 VanDerWaalsContact CD1-CZ3 3.42Å; A264-W272 HydrophobicContact CB-CB 4.22Å; K265-W272 HydrophobicContact CD-CD2 4.38Å; K265-W272 VanDerWaalsContact CE-CE2 3.48Å; K265-W272 HydrophobicContact CG-CB 4.32Å; K265-W272 HydrophobicContact CG-CD2 3.62Å; K265-W272 HydrophobicContact CG-CE3 4.11Å; K265-W272 HydrophobicContact CG-CG 3.68Å; Y268-W272 WeakPolarHBondContact O-CB 3.39Å; Y268-W272 PolarHBondContact O-N 2.91Å; W272-Y278 AromaticContact CE2-CD1 3.95Å; W272-Y278 AromaticContact CE2-CE1 3.95Å; W272-Y278 HydrophobicContact CH2-CD1 4.23Å; W272-Y278 AromaticContact CZ2-CD1 3.52Å; W272-Y278 HydrophobicContact CZ2-CD1 3.52Å; W272-Y278 HydrophobicContact CZ2-CE1 4.02Å; W272-Y278 AromaticContact CZ2-CG 3.87Å; W272-Y278 HydrophobicContact CZ2-CG 3.87Å; W272-Y278 AromaticContact NE1-CE1 3.78Å; W272-I281 HydrophobicContact CZ3-CB 4.29Å; W272-I281 HydrophobicContact CZ3-CD1 4.36Å
273	T	96.8	Very high	94.2	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.043	38%	0.375	C	S	.	.	S	Bend	trans	-161.5	-177.2	166.9	-169	0	0	0	0	109.1	Y99 N271 C277 Y278 I281	Y99-T273 WeakPolarHBondContact O-CB 3.46Å; Y99-T273 PolarHBondContact O-OG1 3.35Å; N271-T273 VanDerWaalsContact C-N 3.3Å; T273-C277 HydrophobicContact CG2-CB 3.97Å; T273-C277 WeakPolarHBondContact OG1-CB 2.67Å; T273-Y278 HydrophobicContact CG2-CD1 3.62Å; T273-Y278 HydrophobicContact CG2-CE1 4.01Å; T273-I281 HydrophobicContact CG2-CD1 4.24Å
274	V	94.1	Very high	94.2	Very high	49 Å²	49	70.1 Å²	70.1	30%	0.297	37%	0.374	S	S	.	.			trans	-77.3	148.6	171.7	-63.1	0	0	0	0	111.5	Y99 V276 C277	Y99-V274 HydrophobicContact CE1-CG1 3.88Å; Y99-V274 VanDerWaalsContact OH-CG1 3.31Å; Y99-V274 WeakPolarHBondContact OH-CG1 3.45Å; V274-V276 VanDerWaalsContact C-N 3.27Å; V274-V276 PolarHBondContact O-N 3.39Å; V274-V276 VanDerWaalsContact O-N 3.09Å; V274-C277 HydrophobicContact CG2-CB 3.88Å; V274-C277 WeakPolarHBondContact CG2-SG 3.41Å; V274-C277 WeakPolarHBondContact O-CB 2.73Å; V274-C277 PolarHBondContact O-N 2.97Å
275	P	94.3	Very high	94.1	Very high	101 Å²	101	71.8 Å²	71.8	66%	0.656	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-54.8	-35	-173.3	-29.8	36.5	0	0	0	115.7	C277 Y278	P275-C277 PolarHBondContact O-N 3.26Å; P275-Y278 PolarHBondContact O-N 2.75Å
276	V	93.5	Very high	94	Very high	124 Å²	124	73.3 Å²	73.3	75%	0.752	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.8	-24.4	177.7	-179.5	0	0	0	0	112.3	V274 Q280	V274-V276 VanDerWaalsContact C-N 3.27Å; V274-V276 PolarHBondContact O-N 3.39Å; V274-V276 VanDerWaalsContact O-N 3.09Å; V276-Q280 WeakPolarHBondContact O-CG 3.03Å
277	C	95.3	Very high	93.4	Very high	4 Å²	4	71.1 Å²	71.1	3%	0.027	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-94.2	0.4	-175.4	-67.8	0	0	0	0	114.5	C98 T273 V274 P275 D279 Q280 I281	C98-C277 WeakPolarHBondContact CA-SG 2.98Å; C98-C277 HydrophobicContact CB-CB 3.67Å; C98-C277 WeakPolarHBondContact CB-SG 3.45Å; C98-C277 WeakPolarHBondContact SG-CB 3.01Å; C98-C277 CovalentContact SG-SG 2.03Å; C98-C277 PolarHBondContact SG-SG 3.33Å; T273-C277 HydrophobicContact CG2-CB 3.97Å; T273-C277 WeakPolarHBondContact OG1-CB 2.67Å; V274-C277 HydrophobicContact CG2-CB 3.88Å; V274-C277 WeakPolarHBondContact CG2-SG 3.41Å; V274-C277 WeakPolarHBondContact O-CB 2.73Å; V274-C277 PolarHBondContact O-N 2.97Å; P275-C277 PolarHBondContact O-N 3.26Å; C277-D279 VanDerWaalsContact C-N 3.28Å; C277-D279 PolarHBondContact O-N 2.83Å; C277-Q280 HydrophobicContact CB-CB 4.43Å; C277-Q280 PolarHBondContact O-N 3.24Å; C277-I281 HydrophobicContact CB-CD1 4.49Å; C277-I281 PolarHBondContact O-N 3.24Å
278	Y	95.1	Very high	93.1	Very high	86 Å²	86	66 Å²	66	34%	0.337	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-40.3	-176.9	-80.4	12.4	0	0	0	113.2	S270 W272 T273 P275	S270-Y278 PolarHBondContact O-OH 2.81Å; W272-Y278 AromaticContact CE2-CD1 3.95Å; W272-Y278 AromaticContact CE2-CE1 3.95Å; W272-Y278 HydrophobicContact CH2-CD1 4.23Å; W272-Y278 AromaticContact CZ2-CD1 3.52Å; W272-Y278 HydrophobicContact CZ2-CD1 3.52Å; W272-Y278 HydrophobicContact CZ2-CE1 4.02Å; W272-Y278 AromaticContact CZ2-CG 3.87Å; W272-Y278 HydrophobicContact CZ2-CG 3.87Å; W272-Y278 AromaticContact NE1-CE1 3.78Å; T273-Y278 HydrophobicContact CG2-CD1 3.62Å; T273-Y278 HydrophobicContact CG2-CE1 4.01Å; P275-Y278 PolarHBondContact O-N 2.75Å
279	D	94.2	Very high	92.8	Very high	129 Å²	129	65.1 Å²	65.1	69%	0.69	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	2.4	177.2	-58.5	-52.6	0	0	0	113.2	K94 C277	K94-D279 PolarHBondContact NZ-O 2.82Å; C277-D279 VanDerWaalsContact C-N 3.28Å; C277-D279 PolarHBondContact O-N 2.83Å
280	Q	95	Very high	92.5	Very high	58 Å²	58	65.7 Å²	65.7	27%	0.271	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-14	-179.2	-49.5	-59.6	-4.3	0	0	113.3	K94 C98 V276 C277	K94-Q280 HydrophobicContact CB-CB 4.19Å; K94-Q280 WeakPolarHBondContact CB-O 3.43Å; K94-Q280 WeakPolarHBondContact CG-O 3.41Å; K94-Q280 PolarHBondContact N-O 3.19Å; C98-Q280 VanDerWaalsContact SG-CB 3.59Å; V276-Q280 WeakPolarHBondContact O-CG 3.03Å; C277-Q280 HydrophobicContact CB-CB 4.43Å; C277-Q280 PolarHBondContact O-N 3.24Å
281	I	95.9	Very high	92.4	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	99	171.7	-53.3	175.2	0	0	0	108	T92 F93 C98 Y99 L261 W272 T273 C277	T92-I281 WeakPolarHBondContact O-CA 3.24Å; F93-I281 HydrophobicContact CD1-CD1 4.11Å; F93-I281 HydrophobicContact CD1-CG1 3.89Å; F93-I281 HydrophobicContact CD1-CG2 4.41Å; F93-I281 HydrophobicContact CE1-CD1 3.81Å; F93-I281 HydrophobicContact CE1-CG1 4.02Å; F93-I281 HydrophobicContact CE1-CG2 4.12Å; F93-I281 HydrophobicContact CZ-CG2 4.46Å; C98-I281 HydrophobicContact CB-CD1 4.3Å; C98-I281 HydrophobicContact CB-CG1 4.13Å; Y99-I281 WeakPolarHBondContact O-CD1 3.5Å; L261-I281 HydrophobicContact CD1-CG2 4.01Å; W272-I281 HydrophobicContact CZ3-CB 4.29Å; W272-I281 HydrophobicContact CZ3-CD1 4.36Å; T273-I281 HydrophobicContact CG2-CD1 4.24Å; C277-I281 HydrophobicContact CB-CD1 4.49Å; C277-I281 PolarHBondContact O-N 3.24Å
282	I	95.2	Very high	92	Very high	39 Å²	39	65.9 Å²	65.9	20%	0.2	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.4	-173.2	62.1	168.9	0	0	0	112.2	I91 T92 F286	I91-I282 CarbonylContact C-O 3.54Å; I91-I282 WeakPolarHBondContact CA-O 3.2Å; T92-I282 PolarHBondContact N-O 2.74Å; T92-I282 PolarHBondContact O-N 3.27Å; T92-I282 VanDerWaalsContact O-N 3.07Å; I282-F286 HydrophobicContact CD1-CD2 3.53Å; I282-F286 HydrophobicContact CD1-CE2 3.61Å; I282-F286 HydrophobicContact CD1-CG 4.48Å; I282-F286 HydrophobicContact CG1-CD2 4.22Å; I282-F286 HydrophobicContact CG1-CE2 4.3Å
283	P	95.5	Very high	91.2	Very high	81 Å²	81	68.5 Å²	68.5	53%	0.526	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.7	175	31.4	-35.3	0	0	0	111.7	L261 F286	L261-P283 HydrophobicContact CD2-CB 4.46Å; P283-F286 WeakPolarHBondContact O-CE2 3.43Å
284	G	95.2	Very high	90.4	Very high	27 Å²	27	70.3 Å²	70.3	28%	0.278	37%	0.373	S	S	.	.	S	Bend	trans	89.5	164.2	-169.4	0	0	0	0	0	112.6	S90 I91 T92	S90-G284 WeakPolarHBondContact O-CA 3.28Å; S90-G284 PolarHBondContact O-N 2.72Å; I91-G284 CarbonylContact C-O 3.26Å; I91-G284 VanDerWaalsContact C-O 3.26Å; I91-G284 WeakPolarHBondContact CA-O 3.49Å; T92-G284 PolarHBondContact N-O 3.06Å; T92-G284 VanDerWaalsContact N-O 3.1Å; T92-G284 PolarHBondContact OG1-O 3.09Å
285	C	94.7	Very high	89.7	Confident	35 Å²	35	68.7 Å²	68.7	24%	0.236	36%	0.364	C	S	.	.			trans	-103.6	124.9	168.9	178.2	0	0	0	0	110	T92 W172 C246	T92-C285 WeakPolarHBondContact OG1-CA 3.5Å; W172-C285 HydrophobicContact CH2-CB 4.13Å; W172-C285 HydrophobicContact CZ2-CB 3.53Å; W172-C285 VanDerWaalsContact CZ2-SG 3.53Å; C246-C285 HydrophobicContact CB-CB 3.67Å; C246-C285 WeakPolarHBondContact CB-SG 3.42Å; C246-C285 WeakPolarHBondContact SG-CA 3.44Å; C246-C285 WeakPolarHBondContact SG-CB 3.29Å; C246-C285 CovalentContact SG-SG 2.04Å; C246-C285 PolarHBondContact SG-SG 2.95Å
286	F	92.2	Very high	88.7	Confident	109 Å²	109	68 Å²	68	48%	0.478	36%	0.355	S	S	.	.			trans	-120.3	160.8	175.2	-62.7	-85.9	0	0	0	110.1	T92 I282 P283 W335	T92-F286 PolarHBondContact OG1-N 3.17Å; I282-F286 HydrophobicContact CD1-CD2 3.53Å; I282-F286 HydrophobicContact CD1-CE2 3.61Å; I282-F286 HydrophobicContact CD1-CG 4.48Å; I282-F286 HydrophobicContact CG1-CD2 4.22Å; I282-F286 HydrophobicContact CG1-CE2 4.3Å; P283-F286 WeakPolarHBondContact O-CE2 3.43Å; F286-W335 HydrophobicContact CB-CH2 3.54Å; F286-W335 HydrophobicContact CB-CZ2 3.74Å
287	E	83.1	Confident	87.5	Confident	119 Å²	119	66.4 Å²	66.4	56%	0.556	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-98.7	150.6	171.3	-71.5	169.4	-155.2	0	0	110.7	R118 W335	R118-E287 IonicContact CZ-OE1 2.98Å; R118-E287 IonicContact NH1-OE1 3.8Å; R118-E287 PolarHBondContact NH1-OE1 2.92Å; R118-E287 IonicContact NH2-OE1 3.25Å; R118-E287 PolarHBondContact NH2-OE1 3.37Å; E287-W335 WeakPolarHBondContact O-CH2 3.38Å; E287-W335 WeakPolarHBondContact O-CZ2 3.43Å
288	R	87.8	Confident	85.9	Confident	26 Å²	26	66.7 Å²	66.7	10%	0.098	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-56.4	140	168.5	-62.5	177.3	77.3	-138.1	4.6	108.4	Q244 N290 A292 L293 N294 H333 S334 W335 T337 N338	Q244-R288 VanDerWaalsContact OE1-CD 3.28Å; R288-N290 PolarHBondContact O-N 2.81Å; R288-A292 PolarHBondContact NH1-O 2.81Å; R288-L293 PolarHBondContact NH1-O 2.79Å; R288-L293 PolarHBondContact NH2-O 2.8Å; R288-L293 VanDerWaalsContact NH2-O 3.08Å; R288-N294 PolarHBondContact NH1-OD1 2.04Å; R288-H333 PolarHBondContact NH1-CD2 3.41Å; R288-S334 VanDerWaalsContact CZ-O 3.31Å; R288-S334 PolarHBondContact NE-O 2.88Å; R288-S334 PolarHBondContact NH2-O 2.84Å; R288-W335 HydrophobicContact CG-CE3 4.3Å; R288-W335 HydrophobicContact CG-CZ3 4.35Å; R288-T337 PolarHBondContact NH2-O 2.81Å; R288-N338 PolarHBondContact NH2-OD1 3.19Å
289	P	87	Confident	83.9	Confident	31 Å²	31	68.7 Å²	68.7	20%	0.201	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-60.7	141	179.3	-21.5	33.9	0	0	0	111.4	Y291 A292 W335 T336	P289-Y291 HydrophobicContact CB-CD1 3.76Å; P289-Y291 HydrophobicContact CB-CD2 4.46Å; P289-Y291 HydrophobicContact CB-CE1 3.31Å; P289-Y291 HydrophobicContact CB-CE2 4.07Å; P289-Y291 HydrophobicContact CB-CG 4.32Å; P289-Y291 VanDerWaalsContact CB-CZ 3.48Å; P289-Y291 HydrophobicContact CG-CE1 4.15Å; P289-Y291 HydrophobicContact CG-CE2 4.48Å; P289-Y291 PolarHBondContact O-N 3.23Å; P289-A292 VanDerWaalsContact O-CB 3.28Å; P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 3.11Å; P289-W335 WeakPolarHBondContact CD-O 3.32Å; P289-T336 HydrophobicContact CG-CG2 4.47Å
290	N	83	Confident	81.6	Confident	166 Å²	166	72.5 Å²	72.5	89%	0.888	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-5.7	-173.6	-53.1	25.3	0	0	0	115.5	R288	R288-N290 PolarHBondContact O-N 2.81Å
291	Y	84.1	Confident	79.1	Confident	169 Å²	169	75.3 Å²	75.3	66%	0.663	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-11.4	172.8	61.6	-105.1	0	0	0	113.4	P289 L293	P289-Y291 HydrophobicContact CB-CD1 3.76Å; P289-Y291 HydrophobicContact CB-CD2 4.46Å; P289-Y291 HydrophobicContact CB-CE1 3.31Å; P289-Y291 HydrophobicContact CB-CE2 4.07Å; P289-Y291 HydrophobicContact CB-CG 4.32Å; P289-Y291 VanDerWaalsContact CB-CZ 3.48Å; P289-Y291 HydrophobicContact CG-CE1 4.15Å; P289-Y291 HydrophobicContact CG-CE2 4.48Å; P289-Y291 PolarHBondContact O-N 3.23Å; Y291-L293 PolarHBondContact O-N 2.83Å
292	A	84.1	Confident	76.4	Confident	8 Å²	8	79.6 Å²	79.6	7%	0.066	39%	0.394	C	S	.	.	S	Bend	trans	-78.6	103.5	178.5	0	0	0	0	0	109.1	R288 P289 T336	R288-A292 PolarHBondContact NH1-O 2.81Å; P289-A292 VanDerWaalsContact O-CB 3.28Å; P289-A292 WeakPolarHBondContact O-CB 3.41Å; P289-A292 PolarHBondContact O-N 3.11Å; A292-T336 WeakPolarHBondContact CB-O 3.3Å
293	L	79.3	Confident	73.7	Confident	68 Å²	68	83.7 Å²	83.7	36%	0.356	41%	0.412	S	S	.	.			trans	-48.6	143.7	179.5	-68.3	162.9	0	0	0	111.5	R288 Y291 I298 Y301 N338	R288-L293 PolarHBondContact NH1-O 2.79Å; R288-L293 PolarHBondContact NH2-O 2.8Å; R288-L293 VanDerWaalsContact NH2-O 3.08Å; Y291-L293 PolarHBondContact O-N 2.83Å; L293-I298 HydrophobicContact CB-CD1 4.1Å; L293-I298 HydrophobicContact CB-CG1 4.06Å; L293-I298 HydrophobicContact CD1-CG1 4.27Å; L293-Y301 HydrophobicContact CD1-CE2 4.36Å; L293-N338 PolarHBondContact O-ND2 3.43Å; L293-N338 PolarHBondContact O-OD1 2.93Å; L293-N338 VanDerWaalsContact O-OD1 3.07Å
294	N	79	Confident	71	Confident	45 Å²	45	87.2 Å²	87.2	24%	0.241	42%	0.422	C	S	.	.			trans	-88.6	147.2	165.6	-64.7	-63.2	0	0	0	110.2	R288 N296 E297 I298 H333	R288-N294 PolarHBondContact NH1-OD1 2.04Å; N294-N296 PolarHBondContact O-N 2.03Å; N294-E297 HydrophobicContact CB-CG 4.04Å; N294-E297 PolarHBondContact N-OE2 2.88Å; N294-E297 PolarHBondContact ND2-OE1 3.37Å; N294-E297 WeakPolarHBondContact O-CB 3.22Å; N294-E297 PolarHBondContact O-N 2.9Å; N294-I298 WeakPolarHBondContact O-CG1 3.32Å; N294-H333 WeakPolarHBondContact CA-NE2 3.37Å; N294-H333 WeakPolarHBondContact CB-NE2 3.38Å; N294-H333 PolarHBondContact OD1-NE2 2.78Å
295	C	80.1	Confident	68.1	Low	16 Å²	16	94.2 Å²	94.2	11%	0.108	44%	0.441	C	S	.	.	H	α-helix	trans	-49.7	-44.3	176	-70.7	0	0	0	0	112.7	E297 I298 C331 H333	C295-E297 PolarHBondContact O-N 2.85Å; C295-E297 VanDerWaalsContact O-N 3.16Å; C295-I298 PolarHBondContact O-N 2.85Å; C295-C331 VanDerWaalsContact CA-SG 3.57Å; C295-C331 HydrophobicContact CB-CB 3.67Å; C295-C331 WeakPolarHBondContact CB-SG 3.12Å; C295-C331 WeakPolarHBondContact SG-CB 3.27Å; C295-C331 PolarHBondContact SG-O 2.9Å; C295-C331 CovalentContact SG-SG 2.04Å; C295-C331 PolarHBondContact SG-SG 3.5Å; C295-H333 PolarHBondContact N-NE2 3.18Å
296	N	72.3	Confident	65	Low	87 Å²	87	98.8 Å²	98.8	47%	0.465	47%	0.468	S	S	.	.	H	α-helix	trans	-67.7	-10.9	179.6	-55.9	8.3	0	0	0	114.2	E122 N294	E122-N296 PolarHBondContact OE1-ND2 2.65Å; N294-N296 PolarHBondContact O-N 2.03Å
297	E	68.7	Low	62.1	Low	90 Å²	90	101.9 Å²	101.9	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-91.7	-24.6	176	-67.9	161.3	-176.1	0	0	112.3	N294 C295 E299 R300	N294-E297 HydrophobicContact CB-CG 4.04Å; N294-E297 PolarHBondContact N-OE2 2.88Å; N294-E297 PolarHBondContact ND2-OE1 3.37Å; N294-E297 WeakPolarHBondContact O-CB 3.22Å; N294-E297 PolarHBondContact O-N 2.9Å; C295-E297 PolarHBondContact O-N 2.85Å; C295-E297 VanDerWaalsContact O-N 3.16Å; E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 2.49Å; E297-R300 WeakPolarHBondContact O-CB 3.29Å; E297-R300 PolarHBondContact O-N 2.72Å
298	I	62.5	Low	59.7	Low	9 Å²	9	105.6 Å²	105.6	5%	0.046	50%	0.5	C	S	.	.	H	α-helix	trans	-78.4	-17.3	-170.7	-52.8	159.7	0	0	0	111.5	L293 N294 C295 R300 S321 Y324 N338	L293-I298 HydrophobicContact CB-CD1 4.1Å; L293-I298 HydrophobicContact CB-CG1 4.06Å; L293-I298 HydrophobicContact CD1-CG1 4.27Å; N294-I298 WeakPolarHBondContact O-CG1 3.32Å; C295-I298 PolarHBondContact O-N 2.85Å; I298-R300 PolarHBondContact O-N 2.62Å; I298-S321 PolarHBondContact O-OG 3.44Å; I298-Y324 HydrophobicContact CD1-CD1 4.5Å; I298-Y324 HydrophobicContact CD1-CD2 3.85Å; I298-Y324 HydrophobicContact CD1-CG 3.73Å; I298-Y324 HydrophobicContact CG2-CD2 4.16Å; I298-Y324 HydrophobicContact CG2-CG 4.39Å; I298-N338 WeakPolarHBondContact CD1-ND2 3.3Å
299	E	53.4	Low	57.1	Low	129 Å²	129	108 Å²	108	60%	0.603	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-1.2	162.2	-61.1	-163.5	145.8	0	0	113.8	E297 S321	E297-E299 VanDerWaalsContact C-N 3.27Å; E297-E299 PolarHBondContact O-N 2.49Å; E299-S321 VanDerWaalsContact C-CB 3.48Å; E299-S321 WeakPolarHBondContact O-CB 3.49Å
300	R	46.2	Very low	54.6	Low	209 Å²	209	114.3 Å²	114.3	79%	0.789	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	38.2	-179.6	-55.6	-174	-174.1	170.7	4.1	113.7	E297 I298 P302	E297-R300 WeakPolarHBondContact O-CB 3.29Å; E297-R300 PolarHBondContact O-N 2.72Å; I298-R300 PolarHBondContact O-N 2.62Å; R300-P302 WeakPolarHBondContact O-CD 3.41Å
301	Y	42	Very low	52.2	Low	116 Å²	116	115.5 Å²	115.5	46%	0.455	57%	0.565	S	S	.	*			trans	-88	96.9	165.5	-115	-79	0	0	0	110.9	L293 H304 S321	L293-Y301 HydrophobicContact CD1-CE2 4.36Å; Y301-H304 AromaticContact CE1-CD2 3.99Å; Y301-H304 AromaticContact CE1-NE2 3.95Å; Y301-S321 WeakPolarHBondContact CA-OG 3.22Å; Y301-S321 PolarHBondContact N-OG 3.22Å; Y301-S321 PolarHBondContact O-OG 2.76Å
302	P	38.6	Very low	49.7	Very low	92 Å²	92	117 Å²	117	60%	0.597	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-62.6	142.3	155.8	30.7	-34.1	0	0	0	108.1	R300 H304	R300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-H304 PolarHBondContact O-N 2.82Å
303	E	39.9	Very low	47.3	Very low	125 Å²	125	127.1 Å²	127.1	58%	0.584	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.7	170.5	-81.8	-178.3	-158.2	0	0	109.7	Y305 R319	E303-Y305 PolarHBondContact O-N 3.09Å; E303-Y305 VanDerWaalsContact O-N 3.11Å; E303-R319 VanDerWaalsContact CD-NH1 3.28Å; E303-R319 IonicContact OE1-CZ 3.28Å; E303-R319 VanDerWaalsContact OE1-CZ 3.23Å; E303-R319 IonicContact OE1-NE 3.34Å; E303-R319 IonicContact OE1-NH1 3.74Å; E303-R319 IonicContact OE1-NH2 2.75Å; E303-R319 PolarHBondContact OE1-NH2 2.87Å; E303-R319 IonicContact OE2-CZ 2.74Å; E303-R319 IonicContact OE2-NH1 3.85Å; E303-R319 PolarHBondContact OE2-NH1 3.14Å; E303-R319 IonicContact OE2-NH2 3.21Å; E303-R319 PolarHBondContact OE2-NH2 3.4Å
304	H	38.8	Very low	45.1	Very low	156 Å²	156	130.4 Å²	130.4	72%	0.722	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-55.2	121	178.3	-95.4	-75.8	0	0	0	110.1	Y301 P302 T306	Y301-H304 AromaticContact CE1-CD2 3.99Å; Y301-H304 AromaticContact CE1-NE2 3.95Å; P302-H304 PolarHBondContact O-N 2.82Å; H304-T306 PolarHBondContact O-N 3.36Å
305	Y	33.1	Very low	42.9	Very low	173 Å²	173	135.1 Å²	135.1	68%	0.678	65%	0.651	S	S	*	*			trans	-56	100.4	178.8	-78.9	-98.8	0	0	0	110.9	E303 M307	E303-Y305 PolarHBondContact O-N 3.09Å; E303-Y305 VanDerWaalsContact O-N 3.11Å; Y305-M307 PolarHBondContact O-N 3.28Å
306	T	30.1	Very low	40.8	Very low	131 Å²	131	140 Å²	140	80%	0.804	68%	0.676	S	S	*	*			trans	-68.8	99.1	160.1	41.6	0	0	0	0	107.4	H304 K308	H304-T306 PolarHBondContact O-N 3.36Å; T306-K308 VanDerWaalsContact C-N 3.25Å; T306-K308 PolarHBondContact O-N 2.68Å
307	M	31.2	Very low	38.8	Very low	175 Å²	175	142.3 Å²	142.3	86%	0.862	69%	0.688	S	S	*	*			trans	-63.3	84.1	176.4	-84.9	-75.9	179.9	0	0	111.1	Y305	Y305-M307 PolarHBondContact O-N 3.28Å
308	K	33.2	Very low	37.3	Very low	196 Å²	196	142.7 Å²	142.7	85%	0.852	70%	0.7	S	S	*	*			trans	-115	116.8	152.8	-77.1	-170.6	172.7	-175.2	0	107	T306 D310	T306-K308 VanDerWaalsContact C-N 3.25Å; T306-K308 PolarHBondContact O-N 2.68Å; K308-D310 PolarHBondContact O-N 2.93Å
309	G	32.7	Very low	36.2	Very low	77 Å²	77	149.8 Å²	149.8	79%	0.794	73%	0.726	S	S	*	*			trans	-72.1	125	175	0	0	0	0	0	110.3
310	D	34.7	Very low	35.9	Very low	163 Å²	163	154.2 Å²	154.2	87%	0.872	74%	0.738	S	S	*	*			trans	-152	149.4	142.9	-120.3	-31.1	0	0	0	109.5	K308 R312	K308-D310 PolarHBondContact O-N 2.93Å; D310-R312 PolarHBondContact O-N 2.97Å
311	E	32.7	Very low	36.4	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	71%	0.71	S	S	*	*			trans	-83.5	84.6	-164.1	-64.7	-167.3	125.4	0	0	113.8
312	R	31.9	Very low	37.6	Very low	200 Å²	200	147.7 Å²	147.7	76%	0.755	72%	0.721	S	S	*	*			trans	-132.9	98.3	161.6	-68.4	-163.9	-179.1	-148.1	1.5	113.4	D310 E314	D310-R312 PolarHBondContact O-N 2.97Å; R312-E314 HydrophobicContact CB-CG 4.45Å; R312-E314 WeakPolarHBondContact CD-OE2 3.47Å; R312-E314 IonicContact NH1-OE1 2.9Å; R312-E314 IonicContact NH1-OE2 2.66Å; R312-E314 PolarHBondContact O-N 2.9Å
313	K	32.2	Very low	39.6	Very low	221 Å²	221	146.3 Å²	146.3	96%	0.961	71%	0.712	S	S	*	*			trans	-79.6	60.5	164.6	-70.5	-178.6	177.4	174.5	0	110.8
314	E	33.4	Very low	41.8	Very low	136 Å²	136	142.9 Å²	142.9	64%	0.636	70%	0.695	S	S	*	*			trans	-93.3	110.9	172.5	-72.2	177.1	149.2	0	0	109.2	R312 L316	R312-E314 HydrophobicContact CB-CG 4.45Å; R312-E314 WeakPolarHBondContact CD-OE2 3.47Å; R312-E314 IonicContact NH1-OE1 2.9Å; R312-E314 IonicContact NH1-OE2 2.66Å; R312-E314 PolarHBondContact O-N 2.9Å; E314-L316 PolarHBondContact O-N 3.49Å
315	N	33.4	Very low	44.3	Very low	145 Å²	145	135.8 Å²	135.8	78%	0.775	66%	0.662	S	S	*	*			trans	15.8	79.9	168.1	-66.1	-24.8	0	0	0	117.8	N317	N315-N317 PolarHBondContact O-N 2.9Å; N315-N317 VanDerWaalsContact O-N 3.1Å
316	L	34.9	Very low	47.1	Very low	119 Å²	119	129.8 Å²	129.8	62%	0.623	64%	0.642	S	S	*	*			trans	-76.7	16.9	170.1	-115.7	165.4	0	0	0	113.9	E314 R319	E314-L316 PolarHBondContact O-N 3.49Å; L316-R319 HydrophobicContact CD2-CB 4.49Å
317	N	30.8	Very low	50	Low	135 Å²	135	126.2 Å²	126.2	72%	0.722	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	132.9	176.4	-72	-12.8	0	0	0	109.9	N315 R319	N315-N317 PolarHBondContact O-N 2.9Å; N315-N317 VanDerWaalsContact O-N 3.1Å; N317-R319 PolarHBondContact O-N 2.83Å
318	S	37.3	Very low	52.8	Low	97 Å²	97	121.4 Å²	121.4	68%	0.678	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.1	48.7	177.7	61	0	0	0	0	116.4	W320	S318-W320 PolarHBondContact O-N 3.21Å
319	R	40.3	Very low	55.6	Low	158 Å²	158	112.6 Å²	112.6	60%	0.596	56%	0.561	S	S	*	*			trans	-73.8	84	149.2	-162.4	171.2	-166.4	-157.5	-6	107.7	E303 L316 N317 S321	E303-R319 VanDerWaalsContact CD-NH1 3.28Å; E303-R319 IonicContact OE1-CZ 3.28Å; E303-R319 VanDerWaalsContact OE1-CZ 3.23Å; E303-R319 IonicContact OE1-NE 3.34Å; E303-R319 IonicContact OE1-NH1 3.74Å; E303-R319 IonicContact OE1-NH2 2.75Å; E303-R319 PolarHBondContact OE1-NH2 2.87Å; E303-R319 IonicContact OE2-CZ 2.74Å; E303-R319 IonicContact OE2-NH1 3.85Å; E303-R319 PolarHBondContact OE2-NH1 3.14Å; E303-R319 IonicContact OE2-NH2 3.21Å; E303-R319 PolarHBondContact OE2-NH2 3.4Å; L316-R319 HydrophobicContact CD2-CB 4.49Å; N317-R319 PolarHBondContact O-N 2.83Å; R319-S321 PolarHBondContact O-N 3.05Å
320	W	45.9	Very low	58.2	Low	222 Å²	222	110.9 Å²	110.9	84%	0.841	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-53.2	122.6	-174.5	-69.8	-27.7	0	0	0	111.1	S318 K322	S318-W320 PolarHBondContact O-N 3.21Å; W320-K322 PolarHBondContact O-N 2.86Å
321	S	58.3	Low	60.8	Low	29 Å²	29	104.8 Å²	104.8	20%	0.203	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-59.3	128.1	171.3	-175.5	0	0	0	0	108.5	I298 E299 Y301 R319	I298-S321 PolarHBondContact O-OG 3.44Å; E299-S321 VanDerWaalsContact C-CB 3.48Å; E299-S321 WeakPolarHBondContact O-CB 3.49Å; Y301-S321 WeakPolarHBondContact CA-OG 3.22Å; Y301-S321 PolarHBondContact N-OG 3.22Å; Y301-S321 PolarHBondContact O-OG 2.76Å; R319-S321 PolarHBondContact O-N 3.05Å
322	K	66.4	Low	63.3	Low	159 Å²	159	96 Å²	96	69%	0.691	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-69.8	136.4	174.2	-70.2	-173.1	175.6	-175.1	0	109.1	W320 L326	W320-K322 PolarHBondContact O-N 2.86Å; K322-L326 HydrophobicContact CB-CD2 4.48Å
323	P	80.4	Confident	65.8	Low	64 Å²	64	86.9 Å²	86.9	42%	0.416	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-58.7	161.4	173.8	24.4	-33.7	0	0	0	111.4	C325 R351	P323-C325 WeakPolarHBondContact CB-O 3.27Å; P323-C325 VanDerWaalsContact CG-O 3.32Å; P323-C325 WeakPolarHBondContact CG-O 3.37Å; P323-R351 PolarHBondContact O-NH2 2.97Å
324	Y	86.6	Confident	68.3	Low	53 Å²	53	76.7 Å²	76.7	21%	0.208	38%	0.384	C	S	.	.	S	Bend	trans	-60.3	-54	177.2	-173	-113.8	0	0	0	110.5	I298 N338 C340 R351	I298-Y324 HydrophobicContact CD1-CD1 4.5Å; I298-Y324 HydrophobicContact CD1-CD2 3.85Å; I298-Y324 HydrophobicContact CD1-CG 3.73Å; I298-Y324 HydrophobicContact CG2-CD2 4.16Å; I298-Y324 HydrophobicContact CG2-CG 4.39Å; Y324-N338 HydrophobicContact CD1-CB 3.98Å; Y324-N338 HydrophobicContact CE1-CB 3.76Å; Y324-N338 WeakPolarHBondContact CE1-O 3.37Å; Y324-N338 PolarHBondContact OH-O 2.71Å; Y324-C340 VanDerWaalsContact CD1-SG 3.53Å; Y324-R351 PolarHBondContact O-NE 3.02Å; Y324-R351 PolarHBondContact O-NH2 3.29Å
325	C	91	Very high	70.7	Confident	6 Å²	6	72 Å²	72	4%	0.041	36%	0.361	C	S	.	.	S	Bend	trans	-86.2	135.7	174.2	-52.4	0	0	0	0	109.6	P323 G329 C331 C340	P323-C325 WeakPolarHBondContact CB-O 3.27Å; P323-C325 VanDerWaalsContact CG-O 3.32Å; P323-C325 WeakPolarHBondContact CG-O 3.37Å; C325-G329 WeakPolarHBondContact CB-O 3.37Å; C325-C331 VanDerWaalsContact SG-CA 3.56Å; C325-C340 WeakPolarHBondContact CA-SG 3.38Å; C325-C340 HydrophobicContact CB-CB 3.78Å; C325-C340 WeakPolarHBondContact CB-SG 3.48Å; C325-C340 WeakPolarHBondContact SG-CA 3.45Å; C325-C340 WeakPolarHBondContact SG-CB 3.48Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 3.03Å
326	L	91	Very high	73.2	Confident	48 Å²	48	68.1 Å²	68.1	25%	0.251	34%	0.342	S	S	.	.	S	Bend	trans	-95.4	172.4	175.6	-54.7	-172	0	0	0	110.5	K322 D328 G329 R351 C352 T353	K322-L326 HydrophobicContact CB-CD2 4.48Å; L326-D328 PolarHBondContact O-N 3.46Å; L326-D328 VanDerWaalsContact O-N 3.14Å; L326-G329 PolarHBondContact O-N 2.74Å; L326-R351 PolarHBondContact N-O 3.36Å; L326-C352 WeakPolarHBondContact O-CB 3.44Å; L326-T353 HydrophobicContact CD1-CG2 3.96Å
327	N	91.6	Very high	75.6	Confident	55 Å²	55	66 Å²	66	29%	0.294	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.2	172.7	-56.3	-42.7	0	0	0	114.7	T345 F347 C352 R478	N327-T345 WeakPolarHBondContact O-CB 3.34Å; N327-T345 VanDerWaalsContact O-CG2 3.3Å; N327-T345 WeakPolarHBondContact O-CG2 3.42Å; N327-F347 HydrophobicContact CB-CB 4.46Å; N327-F347 HydrophobicContact CB-CD2 3.43Å; N327-F347 VanDerWaalsContact CB-CD2 3.43Å; N327-F347 HydrophobicContact CB-CE2 3.74Å; N327-F347 HydrophobicContact CB-CG 3.96Å; N327-F347 HydrophobicContact CB-CZ 4.48Å; N327-F347 WeakPolarHBondContact ND2-CD1 3.16Å; N327-F347 WeakPolarHBondContact ND2-CG 3.34Å; N327-C352 PolarHBondContact ND2-O 2.87Å; N327-R478 PolarHBondContact O-NH1 2.84Å
328	D	90.4	Very high	78.3	Confident	74 Å²	74	60 Å²	60	40%	0.396	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	33.2	-173.9	-43.7	-23.7	0	0	0	114.7	L326 R478 R480	L326-D328 PolarHBondContact O-N 3.46Å; L326-D328 VanDerWaalsContact O-N 3.14Å; D328-R478 IonicContact OD2-CZ 3.26Å; D328-R478 IonicContact OD2-NH1 2.75Å; D328-R478 PolarHBondContact OD2-NH1 3.34Å; D328-R478 IonicContact OD2-NH2 3.59Å; D328-R478 PolarHBondContact OD2-NH2 3.12Å; D328-R480 IonicContact OD2-CZ 2.81Å; D328-R480 IonicContact OD2-NH1 3.83Å; D328-R480 PolarHBondContact OD2-NH1 2.69Å; D328-R480 IonicContact OD2-NH2 3.19Å; D328-R480 PolarHBondContact OD2-NH2 2.77Å
329	G	91.7	Very high	80.8	Confident	12 Å²	12	58.7 Å²	58.7	12%	0.124	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.7	139.2	168	0	0	0	0	0	112	C325 L326 A341 T345	C325-G329 WeakPolarHBondContact CB-O 3.37Å; L326-G329 PolarHBondContact O-N 2.74Å; G329-A341 CarbonylContact C-O 3.59Å; G329-A341 VanDerWaalsContact CA-O 3.24Å; G329-A341 WeakPolarHBondContact CA-O 3.35Å; G329-T345 VanDerWaalsContact CA-CG2 3.5Å
330	L	87.8	Confident	83.3	Confident	41 Å²	41	51.7 Å²	51.7	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.9	177.3	172.4	65.4	0	0	0	109.8	L332 C340 A341	L330-L332 HydrophobicContact CD2-CD2 3.98Å; L330-L332 HydrophobicContact CG-CD2 4.08Å; L330-C340 WeakPolarHBondContact O-CA 3.22Å; L330-A341 HydrophobicContact CB-CB 4.28Å; L330-A341 PolarHBondContact N-O 2.76Å; L330-A341 PolarHBondContact O-N 3.42Å
331	C	87.8	Confident	85.5	Confident	34 Å²	34	41.5 Å²	41.5	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.9	176.2	-174.7	0	0	0	0	110.8	C295 C325	C295-C331 VanDerWaalsContact CA-SG 3.57Å; C295-C331 HydrophobicContact CB-CB 3.67Å; C295-C331 WeakPolarHBondContact CB-SG 3.12Å; C295-C331 WeakPolarHBondContact SG-CB 3.27Å; C295-C331 PolarHBondContact SG-O 2.9Å; C295-C331 CovalentContact SG-SG 2.04Å; C295-C331 PolarHBondContact SG-SG 3.5Å; C325-C331 VanDerWaalsContact SG-CA 3.56Å
332	L	85.7	Confident	87.2	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.7	177.5	-58.6	177.3	0	0	0	110.1	H241 L330 S334 N338 K339 A341	H241-L332 HydrophobicContact CB-CD1 4.41Å; L330-L332 HydrophobicContact CD2-CD2 3.98Å; L330-L332 HydrophobicContact CG-CD2 4.08Å; L332-S334 PolarHBondContact O-N 2.83Å; L332-N338 WeakPolarHBondContact O-CA 3.39Å; L332-N338 WeakPolarHBondContact O-CB 3.39Å; L332-K339 HydrophobicContact CB-CB 4.44Å; L332-K339 PolarHBondContact N-O 2.85Å; L332-K339 PolarHBondContact O-N 3.39Å; L332-A341 HydrophobicContact CD1-CB 4.09Å
333	H	83.9	Confident	88.4	Confident	9 Å²	9	36.3 Å²	36.3	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.7	172.1	-64.2	120.6	0	0	0	110.6	S120 Q121 R288 N294 C295 N338	S120-H333 VanDerWaalsContact C-CE1 3.44Å; S120-H333 PolarHBondContact O-CE1 3.35Å; Q121-H333 WeakPolarHBondContact CA-ND1 3.37Å; R288-H333 PolarHBondContact NH1-CD2 3.41Å; N294-H333 WeakPolarHBondContact CA-NE2 3.37Å; N294-H333 WeakPolarHBondContact CB-NE2 3.38Å; N294-H333 PolarHBondContact OD1-NE2 2.78Å; C295-H333 PolarHBondContact N-NE2 3.18Å; H333-N338 PolarHBondContact CD2-OD1 2.79Å
334	S	85.5	Confident	88.9	Confident	7 Å²	7	35.9 Å²	35.9	5%	0.049	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-106.6	166.4	167.7	150.5	0	0	0	0	108.6	E95 R288 L332 T336 T337	E95-S334 WeakPolarHBondContact OE1-CB 3.39Å; E95-S334 PolarHBondContact OE1-OG 2.85Å; E95-S334 WeakPolarHBondContact OE2-CB 3.43Å; E95-S334 PolarHBondContact OE2-OG 3.01Å; R288-S334 VanDerWaalsContact CZ-O 3.31Å; R288-S334 PolarHBondContact NE-O 2.88Å; R288-S334 PolarHBondContact NH2-O 2.84Å; L332-S334 PolarHBondContact O-N 2.83Å; S334-T336 PolarHBondContact O-N 2.84Å; S334-T337 CarbonylContact C-O 3.57Å; S334-T337 VanDerWaalsContact C-O 3.31Å; S334-T337 WeakPolarHBondContact CA-O 3.48Å; S334-T337 VanDerWaalsContact CB-O 3.25Å; S334-T337 WeakPolarHBondContact CB-O 3.5Å; S334-T337 PolarHBondContact N-O 2.85Å; S334-T337 PolarHBondContact OG-OG1 3.37Å
335	W	83.8	Confident	89.3	Confident	39 Å²	39	33.4 Å²	33.4	15%	0.148	18%	0.183	C	C	.	.	S	Bend	trans	-58.4	-48.2	-173.3	-169.9	-114.2	0	0	0	114	T92 K94 E95 F286 E287 R288 P289	T92-W335 HydrophobicContact CG2-CE3 4.31Å; T92-W335 HydrophobicContact CG2-CH2 3.79Å; T92-W335 HydrophobicContact CG2-CZ3 3.54Å; K94-W335 HydrophobicContact CB-CB 3.88Å; K94-W335 HydrophobicContact CB-CD2 4.25Å; K94-W335 HydrophobicContact CB-CE3 4.27Å; K94-W335 HydrophobicContact CB-CG 4.08Å; K94-W335 HydrophobicContact CD-CB 4.41Å; K94-W335 HydrophobicContact CD-CD2 4.23Å; K94-W335 HydrophobicContact CD-CG 3.96Å; K94-W335 HydrophobicContact CG-CB 4.24Å; K94-W335 HydrophobicContact CG-CD2 3.77Å; K94-W335 HydrophobicContact CG-CE3 3.96Å; K94-W335 HydrophobicContact CG-CG 3.87Å; K94-W335 WeakPolarHBondContact O-CB 3.35Å; K94-W335 PolarHBondContact O-N 3.25Å; K94-W335 VanDerWaalsContact O-N 3.1Å; E95-W335 PolarHBondContact OE1-N 3.14Å; F286-W335 HydrophobicContact CB-CH2 3.54Å; F286-W335 HydrophobicContact CB-CZ2 3.74Å; E287-W335 WeakPolarHBondContact O-CH2 3.38Å; E287-W335 WeakPolarHBondContact O-CZ2 3.43Å; R288-W335 HydrophobicContact CG-CE3 4.3Å; R288-W335 HydrophobicContact CG-CZ3 4.35Å; P289-W335 WeakPolarHBondContact CD-O 3.32Å
336	T	85.2	Confident	89.6	Confident	62 Å²	62	33.2 Å²	33.2	38%	0.38	18%	0.182	S	C	.	.	S	Bend	trans	-110.9	-11	-178.3	52.1	0	0	0	0	113.4	P289 A292 S334	P289-T336 HydrophobicContact CG-CG2 4.47Å; A292-T336 WeakPolarHBondContact CB-O 3.3Å; S334-T336 PolarHBondContact O-N 2.84Å
337	T	86.9	Confident	89.8	Confident	76 Å²	76	31.6 Å²	31.6	47%	0.466	17%	0.173	S	C	.	.	S	Bend	trans	-143.1	-170.6	-169.6	48.1	0	0	0	0	110.5	R288 S334	R288-T337 PolarHBondContact NH2-O 2.81Å; S334-T337 CarbonylContact C-O 3.57Å; S334-T337 VanDerWaalsContact C-O 3.31Å; S334-T337 WeakPolarHBondContact CA-O 3.48Å; S334-T337 VanDerWaalsContact CB-O 3.25Å; S334-T337 WeakPolarHBondContact CB-O 3.5Å; S334-T337 PolarHBondContact N-O 2.85Å; S334-T337 PolarHBondContact OG-OG1 3.37Å
338	N	87	Confident	90	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150	163.5	-56.9	-65.3	0	0	0	109.3	R288 L293 I298 Y324 L332 H333	R288-N338 PolarHBondContact NH2-OD1 3.19Å; L293-N338 PolarHBondContact O-ND2 3.43Å; L293-N338 PolarHBondContact O-OD1 2.93Å; L293-N338 VanDerWaalsContact O-OD1 3.07Å; I298-N338 WeakPolarHBondContact CD1-ND2 3.3Å; Y324-N338 HydrophobicContact CD1-CB 3.98Å; Y324-N338 HydrophobicContact CE1-CB 3.76Å; Y324-N338 WeakPolarHBondContact CE1-O 3.37Å; Y324-N338 PolarHBondContact OH-O 2.71Å; L332-N338 WeakPolarHBondContact O-CA 3.39Å; L332-N338 WeakPolarHBondContact O-CB 3.39Å; H333-N338 PolarHBondContact CD2-OD1 2.79Å
339	K	90.5	Very high	90.1	Very high	69 Å²	69	29.2 Å²	29.2	30%	0.3	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	154.1	175.8	179	-177.2	174.3	-162	0	108.6	D97 L332	D97-K339 VanDerWaalsContact CG-NZ 3.32Å; D97-K339 IonicContact OD1-NZ 3.17Å; D97-K339 PolarHBondContact OD1-NZ 3.37Å; D97-K339 IonicContact OD2-NZ 2.71Å; D97-K339 PolarHBondContact OD2-NZ 3.04Å; L332-K339 HydrophobicContact CB-CB 4.44Å; L332-K339 PolarHBondContact N-O 2.85Å; L332-K339 PolarHBondContact O-N 3.39Å
340	C	91.6	Very high	90.2	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.068	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.9	166.9	-63.1	0	0	0	0	110.4	Y324 C325 L330 D350	Y324-C340 VanDerWaalsContact CD1-SG 3.53Å; C325-C340 WeakPolarHBondContact CA-SG 3.38Å; C325-C340 HydrophobicContact CB-CB 3.78Å; C325-C340 WeakPolarHBondContact CB-SG 3.48Å; C325-C340 WeakPolarHBondContact SG-CA 3.45Å; C325-C340 WeakPolarHBondContact SG-CB 3.48Å; C325-C340 CovalentContact SG-SG 2.03Å; C325-C340 PolarHBondContact SG-SG 3.03Å; L330-C340 WeakPolarHBondContact O-CA 3.22Å; C340-D350 PolarHBondContact SG-O 3.2Å
341	A	92	Very high	90.4	Very high	9 Å²	9	38 Å²	38	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.4	161	0	0	0	0	0	108	H241 G329 L330 L332 E343	H241-A341 WeakPolarHBondContact NE2-CB 3.14Å; G329-A341 CarbonylContact C-O 3.59Å; G329-A341 VanDerWaalsContact CA-O 3.24Å; G329-A341 WeakPolarHBondContact CA-O 3.35Å; L330-A341 HydrophobicContact CB-CB 4.28Å; L330-A341 PolarHBondContact N-O 2.76Å; L330-A341 PolarHBondContact O-N 3.42Å; L332-A341 HydrophobicContact CD1-CB 4.09Å; A341-E343 VanDerWaalsContact C-OE2 3.31Å; A341-E343 VanDerWaalsContact CA-OE2 3.29Å; A341-E343 WeakPolarHBondContact CA-OE2 3.4Å; A341-E343 WeakPolarHBondContact CB-OE2 2.96Å
342	C	94.8	Very high	90.8	Very high	12 Å²	12	36.4 Å²	36.4	8%	0.081	19%	0.191	C	C	.	.			trans	-117.2	-4.4	-171.5	-53.4	0	0	0	0	112.8	L344 T345 F347 G349 C352	C342-L344 PolarHBondContact O-N 2.85Å; C342-L344 VanDerWaalsContact O-N 3.1Å; C342-T345 WeakPolarHBondContact O-CB 3.04Å; C342-T345 WeakPolarHBondContact O-CG2 3.44Å; C342-T345 PolarHBondContact O-N 3.49Å; C342-T345 PolarHBondContact O-OG1 2.97Å; C342-F347 VanDerWaalsContact CB-O 3.26Å; C342-F347 WeakPolarHBondContact CB-O 3.47Å; C342-G349 PolarHBondContact SG-O 2.72Å; C342-G349 VanDerWaalsContact SG-O 3.37Å; C342-C352 WeakPolarHBondContact CA-SG 3.47Å; C342-C352 HydrophobicContact CB-CB 3.78Å; C342-C352 WeakPolarHBondContact CB-SG 3.06Å; C342-C352 WeakPolarHBondContact SG-CA 3.32Å; C342-C352 WeakPolarHBondContact SG-CB 3.46Å; C342-C352 PolarHBondContact SG-N 3.03Å; C342-C352 CovalentContact SG-SG 2.04Å; C342-C352 PolarHBondContact SG-SG 3.11Å
343	E	91	Very high	91.1	Very high	67 Å²	67	40 Å²	40	31%	0.313	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.2	-173	-66.3	86.8	157.8	0	0	112.6	A341 Y537 L542	A341-E343 VanDerWaalsContact C-OE2 3.31Å; A341-E343 VanDerWaalsContact CA-OE2 3.29Å; A341-E343 WeakPolarHBondContact CA-OE2 3.4Å; A341-E343 WeakPolarHBondContact CB-OE2 2.96Å; E343-Y537 HydrophobicContact CB-CD2 4.21Å; E343-Y537 HydrophobicContact CB-CE2 3.96Å; E343-L542 HydrophobicContact CB-CD2 4.48Å; E343-L542 HydrophobicContact CG-CD1 4.21Å; E343-L542 HydrophobicContact CG-CD2 4.48Å
344	L	91.4	Very high	91.6	Very high	54 Å²	54	46.8 Å²	46.8	28%	0.283	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10.8	179.2	-50.8	179	0	0	0	113.9	Y240 C342 I405 Y537	Y240-L344 HydrophobicContact CE1-CD1 4.04Å; Y240-L344 HydrophobicContact CE1-CD2 4Å; Y240-L344 HydrophobicContact CE1-CG 4.46Å; Y240-L344 HydrophobicContact CE2-CD1 4.06Å; C342-L344 PolarHBondContact O-N 2.85Å; C342-L344 VanDerWaalsContact O-N 3.1Å; L344-I405 HydrophobicContact CB-CD1 4.22Å; L344-I405 HydrophobicContact CD2-CD1 3.72Å; L344-Y537 HydrophobicContact CD2-CD1 4.15Å; L344-Y537 HydrophobicContact CD2-CE1 3.55Å; L344-Y537 HydrophobicContact CD2-CE2 4.31Å
345	T	94.5	Very high	92.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-22.8	-172.1	72.7	0	0	0	0	114.8	N327 G329 C342 F347 R478	N327-T345 WeakPolarHBondContact O-CB 3.34Å; N327-T345 VanDerWaalsContact O-CG2 3.3Å; N327-T345 WeakPolarHBondContact O-CG2 3.42Å; G329-T345 VanDerWaalsContact CA-CG2 3.5Å; C342-T345 WeakPolarHBondContact O-CB 3.04Å; C342-T345 WeakPolarHBondContact O-CG2 3.44Å; C342-T345 PolarHBondContact O-N 3.49Å; C342-T345 PolarHBondContact O-OG1 2.97Å; T345-F347 VanDerWaalsContact O-CD2 3.27Å; T345-F347 WeakPolarHBondContact O-CD2 3.12Å; T345-F347 WeakPolarHBondContact OG1-CA 3.32Å; T345-F347 WeakPolarHBondContact OG1-CB 3.46Å; T345-F347 PolarHBondContact OG1-N 3.24Å; T345-F347 PolarHBondContact OG1-O 3.17Å; T345-R478 WeakPolarHBondContact O-CD 3.49Å
346	S	96.8	Very high	92.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	0.1	-160.2	73	0	0	0	0	116.7	G356 Y476	S346-G356 PolarHBondContact O-N 2.96Å; S346-G356 VanDerWaalsContact O-N 3.1Å; S346-Y476 PolarHBondContact OG-OH 2.59Å
347	F	96.7	Very high	93.3	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	171.8	175.6	-63.6	-94.7	0	0	0	111.4	N327 C342 T345 C352 R354 Y476 P572 L574	N327-F347 HydrophobicContact CB-CB 4.46Å; N327-F347 HydrophobicContact CB-CD2 3.43Å; N327-F347 VanDerWaalsContact CB-CD2 3.43Å; N327-F347 HydrophobicContact CB-CE2 3.74Å; N327-F347 HydrophobicContact CB-CG 3.96Å; N327-F347 HydrophobicContact CB-CZ 4.48Å; N327-F347 WeakPolarHBondContact ND2-CD1 3.16Å; N327-F347 WeakPolarHBondContact ND2-CG 3.34Å; C342-F347 VanDerWaalsContact CB-O 3.26Å; C342-F347 WeakPolarHBondContact CB-O 3.47Å; T345-F347 VanDerWaalsContact O-CD2 3.27Å; T345-F347 WeakPolarHBondContact O-CD2 3.12Å; T345-F347 WeakPolarHBondContact OG1-CA 3.32Å; T345-F347 WeakPolarHBondContact OG1-CB 3.46Å; T345-F347 PolarHBondContact OG1-N 3.24Å; T345-F347 PolarHBondContact OG1-O 3.17Å; F347-C352 HydrophobicContact CB-CB 4.23Å; F347-C352 WeakPolarHBondContact CB-O 3.04Å; F347-R354 CarbonylContact C-O 3.5Å; F347-R354 WeakPolarHBondContact CA-O 3.43Å; F347-R354 WeakPolarHBondContact CB-O 3.05Å; F347-R354 WeakPolarHBondContact CD1-O 3.24Å; F347-Y476 HydrophobicContact CE1-CE1 4.3Å; F347-Y476 AromaticContact CE2-CE1 3.87Å; F347-Y476 HydrophobicContact CE2-CE1 3.87Å; F347-Y476 HydrophobicContact CZ-CD1 4.2Å; F347-Y476 AromaticContact CZ-CE1 3.45Å; F347-Y476 HydrophobicContact CZ-CE1 3.45Å; F347-Y476 VanDerWaalsContact CZ-CE1 3.45Å; F347-Y476 AromaticContact CZ-CZ 3.91Å; F347-P572 HydrophobicContact CE1-CG 4.41Å; F347-L574 HydrophobicContact CE1-CD2 4.47Å; F347-L574 HydrophobicContact CZ-CD2 4.17Å
348	E	95.4	Very high	93.8	Very high	53 Å²	53	39.1 Å²	39.1	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	179.2	-176.6	68.7	166	-134.1	0	0	113	C352 T353 R354 A355 G356	E348-C352 CarbonylContact O-C 3.58Å; E348-C352 VanDerWaalsContact O-CA 3.32Å; E348-C352 WeakPolarHBondContact O-CA 3.35Å; E348-T353 PolarHBondContact O-N 3.25Å; E348-R354 HydrophobicContact CG-CB 3.88Å; E348-R354 PolarHBondContact N-O 3.18Å; E348-R354 PolarHBondContact O-N 2.83Å; E348-R354 IonicContact OE1-CZ 3.25Å; E348-R354 IonicContact OE1-NE 3.64Å; E348-R354 PolarHBondContact OE1-NE 2.71Å; E348-R354 IonicContact OE1-NH2 3.44Å; E348-R354 PolarHBondContact OE1-NH2 3.06Å; E348-A355 WeakPolarHBondContact CG-O 3.3Å; E348-G356 WeakPolarHBondContact OE2-CA 3.39Å
349	G	93.3	Very high	94.3	Very high	25 Å²	25	38.7 Å²	38.7	26%	0.258	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	169.2	179.3	0	0	0	0	0	112.5	C342 R351 C352	C342-G349 PolarHBondContact SG-O 2.72Å; C342-G349 VanDerWaalsContact SG-O 3.37Å; G349-R351 PolarHBondContact O-N 2.94Å; G349-C352 PolarHBondContact O-N 3.28Å
350	D	91.8	Very high	94.5	Very high	142 Å²	142	36.5 Å²	36.5	76%	0.759	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.5	-164.2	-40.9	-21.7	0	0	0	115.8	C340	C340-D350 PolarHBondContact SG-O 3.2Å
351	R	93.1	Very high	94.6	Very high	96 Å²	96	36 Å²	36	36%	0.362	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	19.5	178.2	-62.9	-173.6	62.6	-178.8	-0.6	113.9	P323 Y324 L326 G349 T353	P323-R351 PolarHBondContact O-NH2 2.97Å; Y324-R351 PolarHBondContact O-NE 3.02Å; Y324-R351 PolarHBondContact O-NH2 3.29Å; L326-R351 PolarHBondContact N-O 3.36Å; G349-R351 PolarHBondContact O-N 2.94Å; R351-T353 VanDerWaalsContact C-N 3.34Å; R351-T353 HydrophobicContact CB-CG2 3.91Å; R351-T353 PolarHBondContact O-N 2.92Å
352	C	95.3	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	42.8	-175.4	-41.7	0	0	0	0	113.4	L326 N327 C342 F347 E348 G349	L326-C352 WeakPolarHBondContact O-CB 3.44Å; N327-C352 PolarHBondContact ND2-O 2.87Å; C342-C352 WeakPolarHBondContact CA-SG 3.47Å; C342-C352 HydrophobicContact CB-CB 3.78Å; C342-C352 WeakPolarHBondContact CB-SG 3.06Å; C342-C352 WeakPolarHBondContact SG-CA 3.32Å; C342-C352 WeakPolarHBondContact SG-CB 3.46Å; C342-C352 PolarHBondContact SG-N 3.03Å; C342-C352 CovalentContact SG-SG 2.04Å; C342-C352 PolarHBondContact SG-SG 3.11Å; F347-C352 HydrophobicContact CB-CB 4.23Å; F347-C352 WeakPolarHBondContact CB-O 3.04Å; E348-C352 CarbonylContact O-C 3.58Å; E348-C352 VanDerWaalsContact O-CA 3.32Å; E348-C352 WeakPolarHBondContact O-CA 3.35Å; G349-C352 PolarHBondContact O-N 3.28Å
353	T	92.9	Very high	92.7	Very high	82 Å²	82	38.8 Å²	38.8	50%	0.503	19%	0.194	S	C	.	.			trans	-95.2	-23.8	-169.4	46.4	0	0	0	0	114.9	L326 E348 R351	L326-T353 HydrophobicContact CD1-CG2 3.96Å; E348-T353 PolarHBondContact O-N 3.25Å; R351-T353 VanDerWaalsContact C-N 3.34Å; R351-T353 HydrophobicContact CB-CG2 3.91Å; R351-T353 PolarHBondContact O-N 2.92Å
354	R	94.6	Very high	91	Very high	153 Å²	153	37.9 Å²	37.9	58%	0.577	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.4	179.5	-49.3	-168.2	-62.5	-131.4	5.1	109.8	F347 E348	F347-R354 CarbonylContact C-O 3.5Å; F347-R354 WeakPolarHBondContact CA-O 3.43Å; F347-R354 WeakPolarHBondContact CB-O 3.05Å; F347-R354 WeakPolarHBondContact CD1-O 3.24Å; E348-R354 HydrophobicContact CG-CB 3.88Å; E348-R354 PolarHBondContact N-O 3.18Å; E348-R354 PolarHBondContact O-N 2.83Å; E348-R354 IonicContact OE1-CZ 3.25Å; E348-R354 IonicContact OE1-NE 3.64Å; E348-R354 PolarHBondContact OE1-NE 2.71Å; E348-R354 IonicContact OE1-NH2 3.44Å; E348-R354 PolarHBondContact OE1-NH2 3.06Å
355	A	95.2	Very high	89.1	Confident	8 Å²	8	42.8 Å²	42.8	7%	0.066	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.4	163.7	0	0	0	0	0	109.1	E348 T534 F570 P572	E348-A355 WeakPolarHBondContact CG-O 3.3Å; A355-T534 HydrophobicContact CB-CG2 4.39Å; A355-F570 HydrophobicContact CB-CD1 3.69Å; A355-F570 HydrophobicContact CB-CE1 4.02Å; A355-P572 HydrophobicContact CB-CG 4.08Å
356	G	96.8	Very high	86.6	Confident	8 Å²	8	49.6 Å²	49.6	8%	0.082	25%	0.25	C	C	.	.			trans	-63.8	-172.3	177.8	0	0	0	0	0	114.6	S346 E348 T358 T534	S346-G356 PolarHBondContact O-N 2.96Å; S346-G356 VanDerWaalsContact O-N 3.1Å; E348-G356 WeakPolarHBondContact OE2-CA 3.39Å; G356-T358 PolarHBondContact O-N 3.21Å; G356-T358 PolarHBondContact O-OG1 2.98Å; G356-T534 VanDerWaalsContact C-OG1 3.25Å; G356-T534 WeakPolarHBondContact CA-OG1 3.47Å; G356-T534 PolarHBondContact N-OG1 3.39Å; G356-T534 VanDerWaalsContact N-OG1 3.09Å; G356-T534 PolarHBondContact O-OG1 3.18Å
357	T	97.9	Very high	84.2	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.025	27%	0.266	C	S	.	.	S	Bend	trans	-46.5	112.4	170.5	-52.9	0	0	0	0	110.4	F359 T534 G535 N544 D545 A548 L550 Y566	T357-F359 HydrophobicContact CG2-CE2 4.44Å; T357-T534 WeakPolarHBondContact O-CA 3.34Å; T357-G535 PolarHBondContact O-N 3.2Å; T357-G535 VanDerWaalsContact O-N 3.12Å; T357-N544 HydrophobicContact CG2-CB 3.91Å; T357-N544 WeakPolarHBondContact O-CB 3.15Å; T357-N544 PolarHBondContact O-ND2 3.16Å; T357-D545 WeakPolarHBondContact CB-OD1 3.48Å; T357-D545 PolarHBondContact OG1-OD1 2.93Å; T357-A548 HydrophobicContact CG2-CB 3.59Å; T357-L550 HydrophobicContact CG2-CD1 3.89Å; T357-L550 WeakPolarHBondContact OG1-CD1 3.47Å; T357-Y566 HydrophobicContact CG2-CD2 3.97Å; T357-Y566 HydrophobicContact CG2-CE2 3.51Å
358	T	98.2	Very high	81.4	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	-171.9	-61.4	0	0	0	0	111.8	G356 H532 M533 T534 Y566 V567 F570	G356-T358 PolarHBondContact O-N 3.21Å; G356-T358 PolarHBondContact O-OG1 2.98Å; T358-H532 HydrophobicContact CG2-CB 3.98Å; T358-M533 WeakPolarHBondContact CA-O 3.42Å; T358-T534 VanDerWaalsContact OG1-CB 3.23Å; T358-T534 WeakPolarHBondContact OG1-CB 3.26Å; T358-T534 PolarHBondContact OG1-OG1 3.02Å; T358-Y566 VanDerWaalsContact O-CD2 3.28Å; T358-Y566 WeakPolarHBondContact O-CD2 3.49Å; T358-V567 HydrophobicContact CG2-CB 4.48Å; T358-V567 PolarHBondContact O-N 3.25Å; T358-F570 HydrophobicContact CG2-CB 3.78Å; T358-F570 HydrophobicContact CG2-CD1 3.71Å; T358-F570 HydrophobicContact CG2-CD2 4.16Å; T358-F570 HydrophobicContact CG2-CE1 4.31Å; T358-F570 HydrophobicContact CG2-CG 3.62Å; T358-F570 VanDerWaalsContact OG1-CD1 3.26Å; T358-F570 WeakPolarHBondContact OG1-CD1 3.43Å
359	F	97.2	Very high	79	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.2	169.2	-83.9	-86	0	0	0	111.5	T357 Y361 L388 H532 M533 N544 A547 A548 V564 E565 Y566	T357-F359 HydrophobicContact CG2-CE2 4.44Å; F359-Y361 HydrophobicContact CB-CD2 4.25Å; F359-Y361 HydrophobicContact CB-CE2 3.44Å; F359-Y361 VanDerWaalsContact CB-CE2 3.44Å; F359-Y361 WeakPolarHBondContact O-CD2 3.2Å; F359-Y361 WeakPolarHBondContact O-CE2 3.32Å; F359-L388 HydrophobicContact CD2-CD1 4.11Å; F359-L388 HydrophobicContact CE2-CD1 4.29Å; F359-L388 HydrophobicContact CG-CD1 4.28Å; F359-H532 CarbonylContact O-C 3.54Å; F359-H532 WeakPolarHBondContact O-CA 3.03Å; F359-M533 PolarHBondContact N-O 3.43Å; F359-M533 PolarHBondContact O-N 2.76Å; F359-N544 HydrophobicContact CD2-CB 4.12Å; F359-N544 HydrophobicContact CE2-CB 4.33Å; F359-N544 WeakPolarHBondContact CE2-O 3.44Å; F359-A547 HydrophobicContact CE2-CB 3.82Å; F359-A547 HydrophobicContact CZ-CB 3.89Å; F359-A548 HydrophobicContact CE2-CB 4.02Å; F359-A548 HydrophobicContact CZ-CB 4.05Å; F359-V564 HydrophobicContact CB-CG1 4.14Å; F359-V564 HydrophobicContact CD1-CG1 3.43Å; F359-V564 VanDerWaalsContact CD1-CG1 3.43Å; F359-V564 HydrophobicContact CE1-CG1 4.14Å; F359-V564 HydrophobicContact CG-CG1 4.1Å; F359-E565 CarbonylContact C-O 3.56Å; F359-E565 VanDerWaalsContact CA-O 3.26Å; F359-E565 WeakPolarHBondContact CA-O 3.07Å; F359-E565 VanDerWaalsContact CD1-C 3.4Å; F359-E565 VanDerWaalsContact CD1-O 3.32Å; F359-E565 WeakPolarHBondContact CD1-O 3.35Å; F359-Y566 HydrophobicContact CE2-CD2 4.33Å; F359-Y566 HydrophobicContact CZ-CD2 4.4Å; F359-Y566 HydrophobicContact CZ-CG 4.43Å
360	L	95	Very high	76.5	Confident	23 Å²	23	64.8 Å²	64.8	12%	0.12	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.3	171.9	174.7	57.5	0	0	0	109.5	F363 I411 G531 V564 E565 V567	L360-F363 HydrophobicContact CD1-CB 3.65Å; L360-F363 HydrophobicContact CD1-CG 4.33Å; L360-F363 HydrophobicContact CD2-CB 3.98Å; L360-F363 HydrophobicContact CD2-CD1 3.97Å; L360-F363 HydrophobicContact CD2-CG 4.27Å; L360-F363 HydrophobicContact CG-CB 3.87Å; L360-I411 HydrophobicContact CD1-CD1 3.64Å; L360-G531 WeakPolarHBondContact CA-O 3.48Å; L360-V564 CarbonylContact O-C 3.53Å; L360-V564 VanDerWaalsContact O-CA 3.27Å; L360-V564 WeakPolarHBondContact O-CA 3.33Å; L360-E565 PolarHBondContact N-O 3.39Å; L360-E565 PolarHBondContact O-N 2.87Å; L360-V567 HydrophobicContact CB-CG2 3.68Å
361	Y	92.4	Very high	74.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.1	-176.3	-62.7	-108.9	0	0	0	110.3	F359 F363 L388 I517 F529 G531 M533 V564	F359-Y361 HydrophobicContact CB-CD2 4.25Å; F359-Y361 HydrophobicContact CB-CE2 3.44Å; F359-Y361 VanDerWaalsContact CB-CE2 3.44Å; F359-Y361 WeakPolarHBondContact O-CD2 3.2Å; F359-Y361 WeakPolarHBondContact O-CE2 3.32Å; Y361-F363 PolarHBondContact O-N 2.79Å; Y361-L388 HydrophobicContact CE1-CG 4.39Å; Y361-L388 VanDerWaalsContact OH-CD1 3.26Å; Y361-L388 WeakPolarHBondContact OH-CD1 3.28Å; Y361-I517 HydrophobicContact CE1-CG2 4.47Å; Y361-I517 WeakPolarHBondContact OH-CG2 3.26Å; Y361-F529 WeakPolarHBondContact CB-O 3.31Å; Y361-F529 HydrophobicContact CD2-CD1 4.18Å; Y361-F529 HydrophobicContact CD2-CE1 4.48Å; Y361-F529 HydrophobicContact CG-CD1 4.16Å; Y361-G531 PolarHBondContact N-O 3Å; Y361-G531 PolarHBondContact O-N 3.19Å; Y361-G531 VanDerWaalsContact O-N 3.08Å; Y361-M533 HydrophobicContact CD2-CB 4.42Å; Y361-M533 HydrophobicContact CD2-CG 4.06Å; Y361-M533 HydrophobicContact CD2-SD 4.16Å; Y361-M533 HydrophobicContact CE1-SD 4.34Å; Y361-M533 HydrophobicContact CE2-CB 3.77Å; Y361-M533 HydrophobicContact CE2-CG 3.75Å; Y361-M533 HydrophobicContact CE2-SD 3.67Å; Y361-V564 HydrophobicContact CD1-CB 4.48Å; Y361-V564 HydrophobicContact CD1-CG1 4.26Å; Y361-V564 HydrophobicContact CD1-CG2 3.53Å; Y361-V564 HydrophobicContact CE1-CG1 4Å; Y361-V564 HydrophobicContact CE1-CG2 3.76Å; Y361-V564 HydrophobicContact CG-CG2 4.27Å
362	G	77	Confident	71.8	Confident	6 Å²	6	62 Å²	62	6%	0.062	32%	0.316	C	S	.	.	S	Bend	trans	69.2	1	168	0	0	0	0	0	116.4	T384 H530 K563	G362-T384 PolarHBondContact O-OG1 3.19Å; G362-H530 PolarHBondContact O-CD2 3.49Å; G362-H530 VanDerWaalsContact O-CD2 3.27Å; G362-K563 PolarHBondContact N-O 2.85Å
363	F	69.6	Low	69.4	Low	73 Å²	73	65.9 Å²	65.9	32%	0.32	34%	0.339	S	S	.	.			trans	-86.9	131	-175.1	-175.4	-105.5	0	0	0	112.8	L360 Y361 Q365 I411 K563	L360-F363 HydrophobicContact CD1-CB 3.65Å; L360-F363 HydrophobicContact CD1-CG 4.33Å; L360-F363 HydrophobicContact CD2-CB 3.98Å; L360-F363 HydrophobicContact CD2-CD1 3.97Å; L360-F363 HydrophobicContact CD2-CG 4.27Å; L360-F363 HydrophobicContact CG-CB 3.87Å; Y361-F363 PolarHBondContact O-N 2.79Å; F363-Q365 HydrophobicContact CE1-CB 4.49Å; F363-Q365 HydrophobicContact CE1-CG 3.73Å; F363-Q365 HydrophobicContact CZ-CG 3.87Å; F363-I411 HydrophobicContact CB-CD1 4.27Å; F363-I411 HydrophobicContact CD2-CD1 3.7Å; F363-I411 HydrophobicContact CD2-CG2 4.22Å; F363-I411 HydrophobicContact CE2-CD1 4.29Å; F363-I411 HydrophobicContact CE2-CG2 4.3Å; F363-I411 HydrophobicContact CG-CD1 4.09Å; F363-K563 WeakPolarHBondContact O-CD 3.4Å; F363-K563 PolarHBondContact O-NZ 3.46Å
364	N	55.9	Low	66.9	Low	48 Å²	48	69 Å²	69	26%	0.257	35%	0.353	S	S	.	.			trans	-138.4	116.8	178.3	-149.1	13	0	0	0	111.2	Q367 T384 K563	N364-Q367 WeakPolarHBondContact ND2-CG 3.26Å; N364-Q367 PolarHBondContact ND2-OE1 2.81Å; N364-T384 HydrophobicContact CB-CG2 4.23Å; N364-K563 HydrophobicContact CB-CD 4.26Å; N364-K563 WeakPolarHBondContact OD1-CE 3.46Å; N364-K563 PolarHBondContact OD1-NZ 3.18Å
365	Q	51.6	Low	64.9	Low	158 Å²	158	69.8 Å²	69.8	74%	0.738	37%	0.368	S	S	*	.	S	Bend	trans	-76.5	-28.1	-178.1	-107.3	163.5	-6.8	0	0	113.1	F363	F363-Q365 HydrophobicContact CE1-CB 4.49Å; F363-Q365 HydrophobicContact CE1-CG 3.73Å; F363-Q365 HydrophobicContact CZ-CG 3.87Å
366	D	41.7	Very low	62	Low	144 Å²	144	79.4 Å²	79.4	77%	0.77	40%	0.403	S	S	*	.	S	Bend	trans	-108.5	17.7	-160.2	-59.7	-53.8	0	0	0	115.5
367	Q	45.9	Very low	59.2	Low	78 Å²	78	83.4 Å²	83.4	36%	0.364	43%	0.426	S	S	.	.			trans	-127.6	65.8	-173.1	-70.6	-166.6	-4.9	0	0	115.9	N364 I369 S382	N364-Q367 WeakPolarHBondContact ND2-CG 3.26Å; N364-Q367 PolarHBondContact ND2-OE1 2.81Å; Q367-I369 HydrophobicContact CB-CG1 4.25Å; Q367-I369 HydrophobicContact CG-CD1 4.14Å; Q367-I369 HydrophobicContact CG-CG1 4.15Å; Q367-S382 PolarHBondContact OE1-OG 2.04Å
368	M	39.3	Very low	56.1	Low	163 Å²	163	88.4 Å²	88.4	80%	0.803	45%	0.452	S	S	*	.			trans	-90.1	80.7	138.9	-79.6	-154.7	-67.1	0	0	109.4	N370	M368-N370 PolarHBondContact O-N 2.98Å; M368-N370 VanDerWaalsContact O-N 3.1Å
369	I	43.4	Very low	53.3	Low	79 Å²	79	92.2 Å²	92.2	41%	0.405	48%	0.476	S	S	.	.			trans	-77.9	95.6	171.7	-51.6	-178.9	0	0	0	108.1	Q367 I371	Q367-I369 HydrophobicContact CB-CG1 4.25Å; Q367-I369 HydrophobicContact CG-CD1 4.14Å; Q367-I369 HydrophobicContact CG-CG1 4.15Å; I369-I371 HydrophobicContact CG2-CD1 4.34Å; I369-I371 HydrophobicContact CG2-CG1 3.72Å; I369-I371 PolarHBondContact O-N 3.46Å
370	N	41.7	Very low	50.4	Low	94 Å²	94	95.2 Å²	95.2	50%	0.503	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	85.7	173.9	-79.7	-25.5	0	0	0	110.4	M368 T372 T379	M368-N370 PolarHBondContact O-N 2.98Å; M368-N370 VanDerWaalsContact O-N 3.1Å; N370-T372 PolarHBondContact O-N 2.99Å; N370-T372 VanDerWaalsContact O-N 3.13Å; N370-T379 WeakPolarHBondContact OD1-CG2 3.49Å
371	I	46.2	Very low	48.1	Very low	75 Å²	75	100 Å²	100	39%	0.385	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	99	174.5	-50.5	-177.3	0	0	0	108.5	I369 V373 L378 T380	I369-I371 HydrophobicContact CG2-CD1 4.34Å; I369-I371 HydrophobicContact CG2-CG1 3.72Å; I369-I371 PolarHBondContact O-N 3.46Å; I371-V373 HydrophobicContact CG2-CG2 3.95Å; I371-V373 PolarHBondContact O-N 2.66Å; I371-L378 PolarHBondContact N-O 2.77Å; I371-L378 PolarHBondContact O-N 3.19Å; I371-T380 HydrophobicContact CD1-CG2 4.29Å; I371-T380 WeakPolarHBondContact CD1-OG1 3.5Å
372	T	39.5	Very low	46.1	Very low	104 Å²	104	102.8 Å²	102.8	64%	0.638	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.4	172.9	40.1	0	0	0	0	111.1	N370 W376 T377	N370-T372 PolarHBondContact O-N 2.99Å; N370-T372 VanDerWaalsContact O-N 3.13Å; T372-W376 WeakPolarHBondContact CA-O 3.33Å; T372-T377 HydrophobicContact CG2-CG2 3.61Å
373	V	45.7	Very low	45	Very low	81 Å²	81	109.5 Å²	109.5	49%	0.491	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	122.7	169.9	-171.4	0	0	0	0	108.5	I371 N375 W376	I371-V373 HydrophobicContact CG2-CG2 3.95Å; I371-V373 PolarHBondContact O-N 2.66Å; V373-N375 PolarHBondContact O-N 2.85Å; V373-W376 PolarHBondContact N-O 2.9Å; V373-W376 PolarHBondContact O-N 2.86Å
374	N	41.1	Very low	45	Very low	149 Å²	149	107 Å²	107	80%	0.797	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.8	47.3	174.5	-58.5	-14.6	0	0	0	114.6	W376	N374-W376 VanDerWaalsContact C-N 3.27Å; N374-W376 PolarHBondContact O-N 2.96Å
375	N	51.2	Low	46.1	Very low	168 Å²	168	108.8 Å²	108.8	90%	0.898	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.9	11.5	-175.1	-65.5	-6.3	0	0	0	116.6	V373	V373-N375 PolarHBondContact O-N 2.85Å
376	W	35.1	Very low	47.8	Very low	211 Å²	211	101.3 Å²	101.3	80%	0.799	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.1	168	-67.5	71.6	0	0	0	110.1	T372 V373 N374 L378	T372-W376 WeakPolarHBondContact CA-O 3.33Å; V373-W376 PolarHBondContact N-O 2.9Å; V373-W376 PolarHBondContact O-N 2.86Å; N374-W376 VanDerWaalsContact C-N 3.27Å; N374-W376 PolarHBondContact O-N 2.96Å; W376-L378 PolarHBondContact O-N 3.12Å
377	T	37.3	Very low	50.3	Low	92 Å²	92	95.7 Å²	95.7	56%	0.564	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	111	168.1	44.9	0	0	0	0	109.3	T372	T372-T377 HydrophobicContact CG2-CG2 3.61Å
378	L	33.6	Very low	52.7	Low	108 Å²	108	92 Å²	92	57%	0.565	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.4	170.9	-168.1	71.5	0	0	0	109.1	I371 W376 T380	I371-L378 PolarHBondContact N-O 2.77Å; I371-L378 PolarHBondContact O-N 3.19Å; W376-L378 PolarHBondContact O-N 3.12Å; L378-T380 HydrophobicContact CD2-CG2 3.84Å; L378-T380 HydrophobicContact CG-CG2 4.02Å; L378-T380 PolarHBondContact O-N 2.92Å; L378-T380 VanDerWaalsContact O-N 3.11Å
379	T	39.4	Very low	55.5	Low	83 Å²	83	86.9 Å²	86.9	51%	0.509	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	84.5	171.7	46.1	0	0	0	0	109.6	N370 I381	N370-T379 WeakPolarHBondContact OD1-CG2 3.49Å; T379-I381 PolarHBondContact O-N 3.09Å; T379-I381 VanDerWaalsContact O-N 3.17Å
380	T	36.1	Very low	58.1	Low	62 Å²	62	83.3 Å²	83.3	38%	0.38	44%	0.436	S	S	.	.			trans	-75.5	99.7	170.7	52.7	0	0	0	0	109.3	I371 L378 S382	I371-T380 HydrophobicContact CD1-CG2 4.29Å; I371-T380 WeakPolarHBondContact CD1-OG1 3.5Å; L378-T380 HydrophobicContact CD2-CG2 3.84Å; L378-T380 HydrophobicContact CG-CG2 4.02Å; L378-T380 PolarHBondContact O-N 2.92Å; L378-T380 VanDerWaalsContact O-N 3.11Å; T380-S382 PolarHBondContact O-N 2.85Å
381	I	46.4	Very low	60.7	Low	125 Å²	125	79 Å²	79	64%	0.641	41%	0.413	S	S	*	.			trans	-61	118.5	162	-58.7	171.5	0	0	0	106	T379 E383	T379-I381 PolarHBondContact O-N 3.09Å; T379-I381 VanDerWaalsContact O-N 3.17Å; I381-E383 PolarHBondContact O-N 3.1Å
382	S	49.5	Very low	63.1	Low	58 Å²	58	76.3 Å²	76.3	41%	0.406	40%	0.398	S	S	.	.			trans	-78.3	120	165	84.7	0	0	0	0	107.2	Q367 T380 T384	Q367-S382 PolarHBondContact OE1-OG 2.04Å; T380-S382 PolarHBondContact O-N 2.85Å; S382-T384 VanDerWaalsContact C-N 3.34Å; S382-T384 PolarHBondContact O-N 3.31Å
383	E	55.2	Low	65.7	Low	147 Å²	147	76.6 Å²	76.6	69%	0.687	39%	0.391	S	S	*	.			trans	-66.7	96.5	174.5	-71.6	170.7	-175.4	0	0	107.3	I381 I385	I381-E383 PolarHBondContact O-N 3.1Å; E383-I385 WeakPolarHBondContact O-CG1 3.28Å; E383-I385 PolarHBondContact O-N 2.92Å
384	T	69.3	Low	67.7	Low	20 Å²	20	75.5 Å²	75.5	12%	0.123	38%	0.382	C	S	.	.			trans	-76.4	77	-176.4	49.4	0	0	0	0	110.4	G362 N364 S382 G386 K563	G362-T384 PolarHBondContact O-OG1 3.19Å; N364-T384 HydrophobicContact CB-CG2 4.23Å; S382-T384 VanDerWaalsContact C-N 3.34Å; S382-T384 PolarHBondContact O-N 3.31Å; T384-G386 PolarHBondContact O-N 2.62Å; T384-K563 HydrophobicContact CG2-CD 3.93Å
385	I	79	Confident	69.8	Low	86 Å²	86	72.4 Å²	72.4	44%	0.441	36%	0.363	S	S	.	.			trans	-47.1	126.8	178.8	-44.5	-171.2	0	0	0	109.5	E383 Y387 I528 G562 K563	E383-I385 WeakPolarHBondContact O-CG1 3.28Å; E383-I385 PolarHBondContact O-N 2.92Å; I385-Y387 HydrophobicContact CG2-CD1 4.1Å; I385-Y387 HydrophobicContact CG2-CE1 4.12Å; I385-I528 HydrophobicContact CB-CD1 4.14Å; I385-I528 HydrophobicContact CG1-CD1 3.9Å; I385-I528 HydrophobicContact CG2-CD1 4.16Å; I385-I528 HydrophobicContact CG2-CG1 4.19Å; I385-G562 CarbonylContact O-C 3.14Å; I385-G562 VanDerWaalsContact O-CA 3.29Å; I385-G562 WeakPolarHBondContact O-CA 3.41Å; I385-K563 PolarHBondContact O-N 2.79Å
386	G	88.1	Confident	71.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	125.5	178.4	0	0	0	0	0	111.1	T384 F561 V564	T384-G386 PolarHBondContact O-N 2.62Å; G386-F561 WeakPolarHBondContact CA-O 3.26Å; G386-V564 VanDerWaalsContact CA-CG2 3.47Å
387	Y	93.8	Very high	74.3	Confident	27 Å²	27	58.5 Å²	58.5	11%	0.106	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163	169.4	58.2	-87.3	0	0	0	113.4	I385 W516 I517 H519 P521 F561	I385-Y387 HydrophobicContact CG2-CD1 4.1Å; I385-Y387 HydrophobicContact CG2-CE1 4.12Å; Y387-W516 AromaticContact CD2-CE3 3.82Å; Y387-W516 HydrophobicContact CD2-CE3 3.82Å; Y387-W516 HydrophobicContact CD2-CZ3 4.06Å; Y387-W516 AromaticContact CE2-CE3 3.78Å; Y387-W516 HydrophobicContact CE2-CE3 3.78Å; Y387-W516 AromaticContact CE2-CZ3 3.51Å; Y387-W516 HydrophobicContact CE2-CZ3 3.51Å; Y387-I517 VanDerWaalsContact CA-O 3.29Å; Y387-I517 WeakPolarHBondContact CA-O 3.38Å; Y387-I517 WeakPolarHBondContact CB-O 3.39Å; Y387-H519 HydrophobicContact CD1-CB 4.13Å; Y387-H519 HydrophobicContact CG-CB 4.35Å; Y387-P521 HydrophobicContact CD1-CG 4.16Å; Y387-P521 HydrophobicContact CE1-CG 3.46Å; Y387-P521 VanDerWaalsContact CE1-CG 3.46Å; Y387-P521 HydrophobicContact CE2-CG 4.24Å; Y387-F561 HydrophobicContact CD1-CB 4.1Å; Y387-F561 HydrophobicContact CD2-CB 4.08Å; Y387-F561 AromaticContact CD2-CD2 3.82Å; Y387-F561 HydrophobicContact CD2-CD2 3.82Å; Y387-F561 HydrophobicContact CD2-CG 4.26Å; Y387-F561 HydrophobicContact CE1-CB 3.66Å; Y387-F561 HydrophobicContact CE1-CG 4.19Å; Y387-F561 HydrophobicContact CE2-CB 3.64Å; Y387-F561 HydrophobicContact CE2-CD1 4.37Å; Y387-F561 AromaticContact CE2-CD2 3.11Å; Y387-F561 HydrophobicContact CE2-CD2 3.11Å; Y387-F561 AromaticContact CE2-CE2 3.77Å; Y387-F561 HydrophobicContact CE2-CE2 3.77Å; Y387-F561 AromaticContact CE2-CG 3.46Å; Y387-F561 HydrophobicContact CE2-CG 3.46Å; Y387-F561 VanDerWaalsContact CE2-CG 3.46Å; Y387-F561 HydrophobicContact CG-CB 4.28Å; Y387-F561 AromaticContact CZ-CD2 3.6Å; Y387-F561 AromaticContact CZ-CG 3.4Å; Y387-F561 VanDerWaalsContact CZ-CG 3.4Å; Y387-F561 PolarHBondContact N-O 2.9Å; Y387-F561 VanDerWaalsContact N-O 3.13Å; Y387-F561 PolarHBondContact O-N 2.79Å; Y387-F561 WeakPolarHBondContact OH-CD1 3.25Å; Y387-F561 VanDerWaalsContact OH-CG 3.3Å; Y387-F561 WeakPolarHBondContact OH-CG 3.21Å
388	L	96.6	Very high	76.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.1	165.6	-56.5	176.3	0	0	0	109.9	F359 Y361 L390 W516 I517 A547 R560 V564	F359-L388 HydrophobicContact CD2-CD1 4.11Å; F359-L388 HydrophobicContact CE2-CD1 4.29Å; F359-L388 HydrophobicContact CG-CD1 4.28Å; Y361-L388 HydrophobicContact CE1-CG 4.39Å; Y361-L388 VanDerWaalsContact OH-CD1 3.26Å; Y361-L388 WeakPolarHBondContact OH-CD1 3.28Å; L388-L390 HydrophobicContact CB-CD1 4.42Å; L388-W516 WeakPolarHBondContact O-CA 3.41Å; L388-I517 HydrophobicContact CB-CB 4.2Å; L388-I517 HydrophobicContact CB-CD1 4.36Å; L388-I517 HydrophobicContact CD1-CD1 4.28Å; L388-I517 PolarHBondContact N-O 2.86Å; L388-I517 PolarHBondContact O-N 2.81Å; L388-A547 HydrophobicContact CD1-CB 3.56Å; L388-A547 HydrophobicContact CD2-CB 4.15Å; L388-A547 HydrophobicContact CG-CB 4.41Å; L388-R560 HydrophobicContact CD2-CB 3.77Å; L388-R560 HydrophobicContact CD2-CG 3.8Å; L388-V564 HydrophobicContact CD2-CG1 3.84Å; L388-V564 HydrophobicContact CG-CG1 4.17Å
389	R	97	Very high	79.7	Confident	56 Å²	56	52.6 Å²	52.6	21%	0.211	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.1	173.3	-174.9	169.7	80.8	162.9	4.5	109.6	I391 V514 I515 W516 E559 F561	R389-I391 HydrophobicContact CG-CD1 4.45Å; R389-I391 HydrophobicContact CG-CG1 4.14Å; R389-V514 HydrophobicContact CG-CG2 3.62Å; R389-I515 WeakPolarHBondContact CA-O 3.39Å; R389-W516 HydrophobicContact CB-CE3 4.23Å; R389-W516 HydrophobicContact CB-CZ3 4.47Å; R389-W516 VanDerWaalsContact CD-CZ3 3.49Å; R389-W516 HydrophobicContact CG-CD2 4.19Å; R389-W516 HydrophobicContact CG-CE3 4.14Å; R389-W516 HydrophobicContact CG-CH2 4.43Å; R389-W516 HydrophobicContact CG-CZ2 4.43Å; R389-W516 HydrophobicContact CG-CZ3 4.27Å; R389-E559 HydrophobicContact CB-CB 4.41Å; R389-E559 IonicContact CZ-OE2 2.69Å; R389-E559 PolarHBondContact N-O 2.97Å; R389-E559 IonicContact NE-OE2 3.23Å; R389-E559 PolarHBondContact NE-OE2 2.92Å; R389-E559 VanDerWaalsContact NH2-CD 3.33Å; R389-E559 IonicContact NH2-OE1 3.03Å; R389-E559 PolarHBondContact NH2-OE1 2.89Å; R389-E559 IonicContact NH2-OE2 2.88Å; R389-E559 PolarHBondContact NH2-OE2 2.87Å; R389-E559 PolarHBondContact O-N 3.22Å; R389-F561 HydrophobicContact CB-CE2 4.16Å
390	L	97.9	Very high	82.2	Confident	3 Å²	3	54 Å²	54	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.3	175.6	-59.1	92.6	0	0	0	109	L388 V514 I515 I517 L543 L546 I556 Q557 V558	L388-L390 HydrophobicContact CB-CD1 4.42Å; L390-V514 CarbonylContact O-C 3.55Å; L390-V514 WeakPolarHBondContact O-CA 3.19Å; L390-I515 HydrophobicContact CB-CB 4.46Å; L390-I515 PolarHBondContact N-O 2.69Å; L390-I515 PolarHBondContact O-N 2.97Å; L390-I517 HydrophobicContact CD1-CD1 3.73Å; L390-I517 HydrophobicContact CD1-CG1 4.33Å; L390-L543 HydrophobicContact CD1-CB 4.24Å; L390-L543 HydrophobicContact CD2-CB 4.08Å; L390-L543 HydrophobicContact CD2-CD2 3.96Å; L390-L546 HydrophobicContact CD2-CB 4.18Å; L390-L546 HydrophobicContact CD2-CD1 4.27Å; L390-I556 HydrophobicContact CB-CG2 4.16Å; L390-I556 HydrophobicContact CD2-CG2 4.1Å; L390-Q557 CarbonylContact C-O 3.53Å; L390-Q557 WeakPolarHBondContact CA-O 3.46Å; L390-V558 HydrophobicContact CD2-CG1 4.31Å; L390-V558 HydrophobicContact CD2-CG2 3.85Å; L390-V558 HydrophobicContact CG-CG1 4.02Å; L390-V558 HydrophobicContact CG-CG2 4.16Å
391	I	97.7	Very high	84.9	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.3	-173.3	-49.8	172.2	0	0	0	109.8	R389 K393 L435 E513 V514 Q557	R389-I391 HydrophobicContact CG-CD1 4.45Å; R389-I391 HydrophobicContact CG-CG1 4.14Å; I391-K393 HydrophobicContact CG2-CD 4.24Å; I391-L435 HydrophobicContact CD1-CD2 4.33Å; I391-L435 HydrophobicContact CG2-CD2 4.33Å; I391-E513 WeakPolarHBondContact CA-O 3.37Å; I391-E513 WeakPolarHBondContact CG2-O 3.47Å; I391-V514 HydrophobicContact CG1-CG2 4.05Å; I391-Q557 HydrophobicContact CB-CB 4.47Å; I391-Q557 PolarHBondContact N-O 2.93Å; I391-Q557 PolarHBondContact O-N 2.85Å
392	Y	95.2	Very high	87.2	Confident	17 Å²	17	46 Å²	46	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136	170.9	-65	-83.6	0	0	0	110.4	R397 E513 I515 L541 F555 I556	Y392-R397 HydrophobicContact CD1-CG 4.07Å; Y392-R397 HydrophobicContact CD2-CG 4.48Å; Y392-R397 HydrophobicContact CE1-CG 3.8Å; Y392-R397 HydrophobicContact CE2-CG 4.24Å; Y392-R397 HydrophobicContact CG-CG 4.41Å; Y392-E513 PolarHBondContact N-O 3.1Å; Y392-I515 HydrophobicContact CE2-CD1 4.06Å; Y392-I515 HydrophobicContact CE2-CG1 4.44Å; Y392-L541 HydrophobicContact CE1-CD1 3.87Å; Y392-L541 WeakPolarHBondContact OH-CD1 3.33Å; Y392-F555 CarbonylContact C-O 3.28Å; Y392-I556 HydrophobicContact CD1-CD1 3.46Å; Y392-I556 VanDerWaalsContact CD1-CD1 3.46Å; Y392-I556 HydrophobicContact CE1-CD1 3.65Å; Y392-I556 HydrophobicContact CG-CD1 4.22Å
393	K	94.1	Very high	89.4	Confident	110 Å²	110	43.4 Å²	43.4	48%	0.478	20%	0.201	S	C	.	.	S	Bend	trans	-121.7	-7.8	-175.2	-61.3	-58.9	-176.6	-177.8	0	115	I391 F555 Q557	I391-K393 HydrophobicContact CG2-CD 4.24Å; K393-F555 PolarHBondContact N-O 2.8Å; K393-Q557 HydrophobicContact CD-CB 4.4Å; K393-Q557 HydrophobicContact CG-CB 4.11Å
394	D	88.1	Confident	91.4	Very high	59 Å²	59	36.8 Å²	36.8	32%	0.316	17%	0.17	S	C	.	.	S	Bend	trans	-95.2	-54.5	-180	58.8	-28.4	0	0	0	112.4	R397 F555	D394-R397 IonicContact OD1-CZ 3.71Å; D394-R397 IonicContact OD1-NH1 3.81Å; D394-R397 PolarHBondContact OD1-NH1 2.75Å; D394-R397 IonicContact OD1-NH2 2.62Å; D394-R397 PolarHBondContact OD1-NH2 2.8Å; D394-R397 IonicContact OD2-CZ 2.76Å; D394-R397 IonicContact OD2-NH1 3.23Å; D394-R397 PolarHBondContact OD2-NH1 2.82Å; D394-R397 IonicContact OD2-NH2 3.38Å; D394-R397 PolarHBondContact OD2-NH2 3.05Å; D394-F555 HydrophobicContact CB-CB 3.68Å
395	H	86	Confident	92.8	Very high	83 Å²	83	36.2 Å²	36.2	38%	0.384	17%	0.166	S	C	.	.			trans	-158.3	155.6	178.1	64	-78	0	0	0	111.7	R397	H395-R397 PolarHBondContact CE1-NH1 2.81Å; H395-R397 PolarHBondContact CE1-NH2 3.23Å; H395-R397 PolarHBondContact ND1-NH1 3.39Å; H395-R397 PolarHBondContact O-NH1 2.84Å
396	L	90.4	Very high	93.7	Very high	65 Å²	65	32.2 Å²	32.2	34%	0.34	15%	0.146	S	C	.	.			trans	-67	132.4	173.1	-62.3	175.1	0	0	0	110	N398 N511 E513	L396-N398 PolarHBondContact O-ND2 2.87Å; L396-N511 HydrophobicContact CD1-CB 4.15Å; L396-N511 WeakPolarHBondContact CD1-OD1 3.43Å; L396-E513 HydrophobicContact CD2-CB 3.66Å; L396-E513 HydrophobicContact CD2-CG 3.56Å
397	R	90.5	Very high	94.2	Very high	22 Å²	22	32.2 Å²	32.2	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.7	174.3	-57.3	-56.6	-167.5	-85.8	12.4	110	Y392 D394 H395 N511 Q512	Y392-R397 HydrophobicContact CD1-CG 4.07Å; Y392-R397 HydrophobicContact CD2-CG 4.48Å; Y392-R397 HydrophobicContact CE1-CG 3.8Å; Y392-R397 HydrophobicContact CE2-CG 4.24Å; Y392-R397 HydrophobicContact CG-CG 4.41Å; D394-R397 IonicContact OD1-CZ 3.71Å; D394-R397 IonicContact OD1-NH1 3.81Å; D394-R397 PolarHBondContact OD1-NH1 2.75Å; D394-R397 IonicContact OD1-NH2 2.62Å; D394-R397 PolarHBondContact OD1-NH2 2.8Å; D394-R397 IonicContact OD2-CZ 2.76Å; D394-R397 IonicContact OD2-NH1 3.23Å; D394-R397 PolarHBondContact OD2-NH1 2.82Å; D394-R397 IonicContact OD2-NH2 3.38Å; D394-R397 PolarHBondContact OD2-NH2 3.05Å; H395-R397 PolarHBondContact CE1-NH1 2.81Å; H395-R397 PolarHBondContact CE1-NH2 3.23Å; H395-R397 PolarHBondContact ND1-NH1 3.39Å; H395-R397 PolarHBondContact O-NH1 2.84Å; R397-N511 PolarHBondContact O-N 2.82Å; R397-Q512 HydrophobicContact CB-CB 4.06Å; R397-Q512 PolarHBondContact N-O 3.05Å; R397-Q512 WeakPolarHBondContact O-CB 3.36Å; R397-Q512 PolarHBondContact O-N 3.05Å
398	N	91.4	Very high	94.3	Very high	69 Å²	69	31 Å²	31	37%	0.369	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.2	173.7	-56.4	-86.2	0	0	0	105.9	L396 F509 N510 N511	L396-N398 PolarHBondContact O-ND2 2.87Å; N398-F509 VanDerWaalsContact CA-O 3.32Å; N398-F509 WeakPolarHBondContact CA-O 3.3Å; N398-N510 VanDerWaalsContact OD1-CA 3.24Å; N398-N510 WeakPolarHBondContact OD1-CA 3.43Å; N398-N510 WeakPolarHBondContact OD1-CB 3.43Å; N398-N511 PolarHBondContact OD1-N 2.87Å
399	T	92.6	Very high	94.3	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.9	-172.5	61.4	0	0	0	0	112.7	E235 Q401 D402 R483 S508 F509 Q512	E235-T399 HydrophobicContact CB-CG2 4.09Å; E235-T399 HydrophobicContact CG-CG2 4.21Å; E235-T399 WeakPolarHBondContact OE2-CA 3.32Å; T399-Q401 VanDerWaalsContact CB-O 3.29Å; T399-Q401 WeakPolarHBondContact CB-O 3.18Å; T399-D402 WeakPolarHBondContact CB-OD1 3.36Å; T399-D402 PolarHBondContact OG1-OD1 2.97Å; T399-D402 PolarHBondContact OG1-OD2 3.14Å; T399-R483 PolarHBondContact O-NH2 2.88Å; T399-S508 CarbonylContact O-C 3.59Å; T399-S508 WeakPolarHBondContact O-CA 3.43Å; T399-F509 PolarHBondContact N-O 2.79Å; T399-F509 PolarHBondContact O-N 3.09Å; T399-Q512 PolarHBondContact OG1-NE2 3.03Å
400	R	91.9	Very high	94	Very high	111 Å²	111	30.2 Å²	30.2	42%	0.419	14%	0.14	S	C	.	.	S	Bend	trans	-99.8	-7.7	164	-74.5	178.9	59.4	-158.6	-9.2	113.8	E235 R483 D485 S508	E235-R400 PolarHBondContact OE2-N 2.82Å; R400-R483 PolarHBondContact O-NH1 3.09Å; R400-D485 IonicContact CZ-OD1 2.77Å; R400-D485 VanDerWaalsContact CZ-OD1 3.23Å; R400-D485 IonicContact CZ-OD2 3.05Å; R400-D485 IonicContact NE-OD1 3.78Å; R400-D485 PolarHBondContact NE-OD1 3.28Å; R400-D485 IonicContact NH2-OD1 3.77Å; R400-D485 PolarHBondContact NH2-OD1 2.93Å; R400-D485 IonicContact NH2-OD2 2.87Å; R400-D485 PolarHBondContact NH2-OD2 3.08Å; R400-D485 PolarHBondContact O-N 2.81Å; R400-S508 WeakPolarHBondContact CG-OG 3.23Å
401	Q	92.6	Very high	93.1	Very high	17 Å²	17	32.3 Å²	32.3	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.1	172.9	173.8	173.7	-35.8	0	0	109.6	T399 Y482 R483 V484	T399-Q401 VanDerWaalsContact CB-O 3.29Å; T399-Q401 WeakPolarHBondContact CB-O 3.18Å; Q401-Y482 VanDerWaalsContact CD-OH 3.22Å; Q401-Y482 HydrophobicContact CG-CE2 4.21Å; Q401-Y482 PolarHBondContact NE2-OH 2.95Å; Q401-Y482 PolarHBondContact OE1-OH 2.79Å; Q401-R483 CarbonylContact C-O 3.57Å; Q401-R483 WeakPolarHBondContact CA-O 3.44Å; Q401-R483 WeakPolarHBondContact CG-O 3.47Å; Q401-V484 HydrophobicContact CB-CG2 4.07Å; Q401-V484 HydrophobicContact CG-CG2 3.81Å
402	D	95	Very high	91.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.1	174.2	-62.9	-62.1	0	0	0	111.3	T399 I442 Y482 R483 Y538 N539	T399-D402 WeakPolarHBondContact CB-OD1 3.36Å; T399-D402 PolarHBondContact OG1-OD1 2.97Å; T399-D402 PolarHBondContact OG1-OD2 3.14Å; D402-I442 HydrophobicContact CB-CD1 4.19Å; D402-Y482 CarbonylContact O-C 3.51Å; D402-Y482 WeakPolarHBondContact O-CA 3.19Å; D402-R483 HydrophobicContact CB-CB 4.25Å; D402-R483 PolarHBondContact N-O 2.69Å; D402-R483 PolarHBondContact O-N 3.13Å; D402-R483 IonicContact OD2-CZ 2.78Å; D402-R483 IonicContact OD2-NE 2.79Å; D402-R483 PolarHBondContact OD2-NE 3.22Å; D402-R483 IonicContact OD2-NH2 2.82Å; D402-R483 PolarHBondContact OD2-NH2 3.03Å; D402-Y538 HydrophobicContact CB-CE2 4.34Å; D402-Y538 PolarHBondContact OD1-OH 3.44Å; D402-N539 WeakPolarHBondContact CA-OD1 3.47Å; D402-N539 PolarHBondContact OD1-ND2 2.8Å
403	E	95.5	Very high	89.9	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	130.3	-177	51.8	-169.9	-146.1	0	0	110.3	R234 Y240 G481 Y482 Y537 Y538 N539	R234-E403 IonicContact CZ-OE1 2.69Å; R234-E403 VanDerWaalsContact CZ-OE1 3.25Å; R234-E403 IonicContact CZ-OE2 2.94Å; R234-E403 IonicContact NE-OE1 3.85Å; R234-E403 PolarHBondContact NE-OE1 2.76Å; R234-E403 IonicContact NE-OE2 3.16Å; R234-E403 IonicContact NH2-OE1 2.79Å; R234-E403 PolarHBondContact NH2-OE1 2.98Å; R234-E403 IonicContact NH2-OE2 2.77Å; R234-E403 PolarHBondContact NH2-OE2 2.71Å; Y240-E403 PolarHBondContact OH-OE2 3.44Å; Y240-E403 VanDerWaalsContact OH-OE2 3.09Å; E403-G481 WeakPolarHBondContact CA-O 3.46Å; E403-Y482 HydrophobicContact CB-CD2 3.99Å; E403-Y537 HydrophobicContact CG-CE1 4.07Å; E403-Y537 PolarHBondContact OE1-OH 3.1Å; E403-Y538 WeakPolarHBondContact O-CA 3.44Å; E403-Y538 WeakPolarHBondContact O-CD2 3.41Å; E403-N539 WeakPolarHBondContact CG-OD1 3.47Å; E403-N539 PolarHBondContact N-OD1 2.97Å; E403-N539 PolarHBondContact O-N 2.87Å; E403-N539 PolarHBondContact O-OD1 3.19Å
404	F	97.7	Very high	87.7	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.2	175	57.7	-97.2	0	0	0	111.5	L406 L430 I442 L444 L453 I479 R480 G481 L490 Y537 Y538	F404-L406 HydrophobicContact CD2-CD2 4.29Å; F404-L430 HydrophobicContact CB-CD2 3.7Å; F404-L430 HydrophobicContact CG-CD2 4.1Å; F404-I442 HydrophobicContact CE1-CG2 4.42Å; F404-L444 HydrophobicContact CD2-CD2 4.07Å; F404-L444 HydrophobicContact CE2-CD1 3.77Å; F404-L444 HydrophobicContact CE2-CD2 3.69Å; F404-L444 HydrophobicContact CE2-CG 4.24Å; F404-L444 HydrophobicContact CZ-CD1 3.93Å; F404-L444 HydrophobicContact CZ-CD2 4.49Å; F404-L453 HydrophobicContact CE1-CD1 4.18Å; F404-L453 HydrophobicContact CE1-CD2 4.48Å; F404-L453 HydrophobicContact CZ-CD1 3.94Å; F404-L453 HydrophobicContact CZ-CD2 4.2Å; F404-I479 HydrophobicContact CE2-CG2 4.44Å; F404-R480 CarbonylContact O-C 3.57Å; F404-R480 WeakPolarHBondContact O-CA 3.3Å; F404-G481 PolarHBondContact N-O 3.49Å; F404-G481 PolarHBondContact O-N 3.17Å; F404-L490 HydrophobicContact CE2-CD1 4.24Å; F404-L490 HydrophobicContact CZ-CD1 4.27Å; F404-Y537 VanDerWaalsContact CA-O 3.27Å; F404-Y537 WeakPolarHBondContact CA-O 3.44Å; F404-Y538 HydrophobicContact CB-CD2 4.18Å
405	I	98.1	Very high	85.8	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.6	174.6	-61.8	90.4	0	0	0	108	L344 I479 R480 V536 Y537	L344-I405 HydrophobicContact CB-CD1 4.22Å; L344-I405 HydrophobicContact CD2-CD1 3.72Å; I405-I479 WeakPolarHBondContact CA-O 3.34Å; I405-R480 HydrophobicContact CB-CG 4.49Å; I405-R480 HydrophobicContact CG1-CB 4.26Å; I405-R480 HydrophobicContact CG1-CG 3.83Å; I405-R480 HydrophobicContact CG2-CG 4.13Å; I405-V536 CarbonylContact O-C 3.57Å; I405-V536 WeakPolarHBondContact O-CA 3.48Å; I405-Y537 HydrophobicContact CD1-CD1 3.64Å; I405-Y537 HydrophobicContact CD1-CE1 4.13Å; I405-Y537 HydrophobicContact CD1-CG 4.39Å; I405-Y537 PolarHBondContact N-O 3.18Å; I405-Y537 VanDerWaalsContact N-O 3.08Å; I405-Y537 PolarHBondContact O-N 2.84Å
406	L	98.2	Very high	83.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.3	169.4	62.5	164.1	0	0	0	110.5	F404 I408 L429 L444 I479 V536	F404-L406 HydrophobicContact CD2-CD2 4.29Å; L406-I408 HydrophobicContact CD1-CG2 3.77Å; L406-I408 HydrophobicContact CG-CG2 4.28Å; L406-L429 HydrophobicContact CD1-CB 4.11Å; L406-L444 HydrophobicContact CD2-CD2 3.67Å; L406-I479 HydrophobicContact CD2-CB 3.92Å; L406-I479 HydrophobicContact CD2-CG2 4.24Å; L406-I479 HydrophobicContact CG-CB 4.3Å; L406-I479 PolarHBondContact N-O 3.49Å; L406-I479 PolarHBondContact O-N 2.89Å; L406-V536 HydrophobicContact CB-CB 4.28Å; L406-V536 HydrophobicContact CB-CG1 4.21Å; L406-V536 HydrophobicContact CB-CG2 3.78Å
407	G	97.8	Very high	80.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.4	162.3	0	0	0	0	0	109.6	Y476 H477 M533 T534	G407-Y476 WeakPolarHBondContact CA-OH 3.41Å; G407-H477 CarbonylContact C-O 3.58Å; G407-H477 WeakPolarHBondContact CA-O 3.28Å; G407-M533 CarbonylContact O-C 3.59Å; G407-M533 VanDerWaalsContact O-CA 3.3Å; G407-M533 WeakPolarHBondContact O-CA 3.41Å; G407-T534 PolarHBondContact N-O 3.36Å; G407-T534 PolarHBondContact O-N 3.4Å
408	I	96.8	Very high	78.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.6	172.7	63.6	167.3	0	0	0	110.9	L406 L429 V471 Y476 H477 I479 F529 H532 M533	L406-I408 HydrophobicContact CD1-CG2 3.77Å; L406-I408 HydrophobicContact CG-CG2 4.28Å; I408-L429 HydrophobicContact CD1-CD1 4.46Å; I408-L429 HydrophobicContact CG2-CD2 4.47Å; I408-V471 HydrophobicContact CD1-CB 4.17Å; I408-V471 HydrophobicContact CD1-CG2 3.91Å; I408-Y476 WeakPolarHBondContact O-CA 3.43Å; I408-H477 HydrophobicContact CG1-CB 4.21Å; I408-H477 PolarHBondContact N-O 2.97Å; I408-H477 PolarHBondContact O-N 3.33Å; I408-I479 HydrophobicContact CD1-CD1 3.75Å; I408-I479 HydrophobicContact CG1-CD1 4.13Å; I408-F529 HydrophobicContact CB-CE2 4.43Å; I408-F529 HydrophobicContact CB-CZ 4.12Å; I408-F529 HydrophobicContact CG2-CE2 4.47Å; I408-F529 HydrophobicContact CG2-CZ 4.27Å; I408-H532 WeakPolarHBondContact CA-O 3.28Å; I408-M533 HydrophobicContact CG2-CG 4.24Å
409	Q	95	Very high	75.4	Confident	18 Å²	18	63.3 Å²	63.3	8%	0.084	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	108.4	164.2	-176.6	177.3	-15.3	0	0	108.9	G474 Y476 G531 H532 F570 L573	Q409-G474 WeakPolarHBondContact CG-O 3.47Å; Q409-G474 PolarHBondContact NE2-O 2.93Å; Q409-Y476 HydrophobicContact CB-CD2 4.41Å; Q409-G531 WeakPolarHBondContact O-CA 3.39Å; Q409-H532 HydrophobicContact CB-CB 4.44Å; Q409-H532 PolarHBondContact N-O 2.92Å; Q409-H532 PolarHBondContact O-N 3.06Å; Q409-F570 HydrophobicContact CB-CZ 4.18Å; Q409-L573 VanDerWaalsContact NE2-CG 3.32Å
410	I	90.6	Very high	72.4	Confident	22 Å²	22	70.8 Å²	70.8	11%	0.113	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.4	-176.5	-58.3	-171.8	0	0	0	109.9	P412 L446 V471 N472 F529	I410-P412 WeakPolarHBondContact O-CD 3.24Å; I410-L446 HydrophobicContact CD1-CD1 3.39Å; I410-L446 HydrophobicContact CG1-CD1 4.47Å; I410-V471 HydrophobicContact CD1-CG2 4.17Å; I410-V471 WeakPolarHBondContact CD1-O 3.39Å; I410-V471 WeakPolarHBondContact CG1-O 3.44Å; I410-N472 HydrophobicContact CD1-CB 4.31Å; I410-F529 HydrophobicContact CD1-CE2 4.45Å; I410-F529 HydrophobicContact CG1-CE2 3.94Å; I410-F529 HydrophobicContact CG1-CZ 4.33Å
411	I	79	Confident	69.7	Low	48 Å²	48	73.2 Å²	73.2	25%	0.246	38%	0.382	C	S	.	.			trans	-91.8	114	170.1	-66.7	170.1	0	0	0	107.6	L360 F363 M413 H530	L360-I411 HydrophobicContact CD1-CD1 3.64Å; F363-I411 HydrophobicContact CB-CD1 4.27Å; F363-I411 HydrophobicContact CD2-CD1 3.7Å; F363-I411 HydrophobicContact CD2-CG2 4.22Å; F363-I411 HydrophobicContact CE2-CD1 4.29Å; F363-I411 HydrophobicContact CE2-CG2 4.3Å; F363-I411 HydrophobicContact CG-CD1 4.09Å; I411-M413 PolarHBondContact O-N 2.86Å; I411-H530 PolarHBondContact N-O 2.87Å
412	P	66.4	Low	67.1	Low	91 Å²	91	78.3 Å²	78.3	59%	0.591	42%	0.42	S	S	*	.			trans	-67.5	107.2	-175	25.6	-33.8	0	0	0	111.1	I410 K414	I410-P412 WeakPolarHBondContact O-CD 3.24Å; P412-K414 PolarHBondContact O-N 2.84Å
413	M	60.4	Low	64.7	Low	97 Å²	97	83.7 Å²	83.7	48%	0.478	45%	0.447	S	S	.	.			trans	-70.8	123.2	176.6	-64.6	179.9	79.2	0	0	110.3	I411 I415 H530	I411-M413 PolarHBondContact O-N 2.86Å; M413-I415 VanDerWaalsContact C-N 3.28Å; M413-I415 HydrophobicContact CB-CG1 4.25Å; M413-I415 PolarHBondContact O-N 2.84Å; M413-H530 HydrophobicContact SD-CB 3.93Å
414	K	46.9	Very low	62.7	Low	206 Å²	206	86.8 Å²	86.8	90%	0.896	47%	0.47	S	S	*	.			trans	-74.2	82.9	168.1	-75.9	-174.5	175.2	-179.8	0	110	P412 D416	P412-K414 PolarHBondContact O-N 2.84Å; K414-D416 PolarHBondContact O-N 3.15Å
415	I	49.3	Very low	61.5	Low	124 Å²	124	89.6 Å²	89.6	64%	0.636	49%	0.487	S	S	*	.			trans	-75.3	107.3	170.3	-57.8	176.1	0	0	0	108	M413 S417	M413-I415 VanDerWaalsContact C-N 3.28Å; M413-I415 HydrophobicContact CB-CG1 4.25Å; M413-I415 PolarHBondContact O-N 2.84Å; I415-S417 PolarHBondContact O-N 2.65Å
416	D	38.6	Very low	61.1	Low	156 Å²	156	90.5 Å²	90.5	83%	0.834	49%	0.492	S	S	*	.			trans	-63.5	116.2	174.3	-101.1	-24.5	0	0	0	110	K414 K418	K414-D416 PolarHBondContact O-N 3.15Å; D416-K418 PolarHBondContact O-N 2.7Å
417	S	32	Very low	60.7	Low	114 Å²	114	91.4 Å²	91.4	80%	0.797	50%	0.499	S	S	*	.	S	Bend	trans	-77.9	80.8	-158.4	62.9	0	0	0	0	113.8	I415	I415-S417 PolarHBondContact O-N 2.65Å
418	K	33.8	Very low	60.5	Low	200 Å²	200	91.4 Å²	91.4	87%	0.87	50%	0.499	S	S	*	.			trans	-133.6	2.6	174.6	-75.5	-169.6	177.1	173.2	0	117	D416	D416-K418 PolarHBondContact O-N 2.7Å
419	S	36.1	Very low	60.5	Low	93 Å²	93	91.3 Å²	91.3	65%	0.65	50%	0.499	S	S	*	.			trans	-103.4	94.3	174.2	50	0	0	0	0	112.2	H421	S419-H421 PolarHBondContact O-N 2.85Å
420	N	28.9	Very low	60.6	Low	165 Å²	165	90.5 Å²	90.5	88%	0.882	50%	0.495	S	S	*	.			trans	-74.7	48.6	173.9	-81	-7.5	0	0	0	112.9
421	H	34.9	Very low	60.9	Low	161 Å²	161	89.7 Å²	89.7	75%	0.745	49%	0.491	S	S	*	.			trans	-125.1	81.5	166.8	-93.4	20.6	0	0	0	108.5	S419 I423	S419-H421 PolarHBondContact O-N 2.85Å; H421-I423 PolarHBondContact O-N 2.98Å
422	S	37.7	Very low	61.8	Low	125 Å²	125	87.4 Å²	87.4	87%	0.874	48%	0.479	S	S	*	.			trans	-69.7	67.5	163.4	59.5	0	0	0	0	109.8	S424	S422-S424 PolarHBondContact O-N 2.87Å
423	I	45.5	Very low	63.2	Low	115 Å²	115	83.1 Å²	83.1	59%	0.59	45%	0.451	S	S	*	.			trans	-60.3	128.9	154.3	-62.2	175.2	0	0	0	105	H421 T425	H421-I423 PolarHBondContact O-N 2.98Å; I423-T425 HydrophobicContact CB-CG2 4.17Å; I423-T425 HydrophobicContact CG2-CG2 3.82Å; I423-T425 PolarHBondContact O-N 2.98Å
424	S	53.5	Low	64.9	Low	69 Å²	69	79.5 Å²	79.5	48%	0.483	43%	0.434	S	S	.	.			trans	-73.6	77.2	171.8	54	0	0	0	0	108.7	S422	S422-S424 PolarHBondContact O-N 2.87Å
425	T	72.9	Confident	67.1	Low	68 Å²	68	73.2 Å²	73.2	42%	0.417	41%	0.41	S	S	.	.			trans	-68.6	138.1	176.1	63.1	0	0	0	0	109.1	I423 D527	I423-T425 HydrophobicContact CB-CG2 4.17Å; I423-T425 HydrophobicContact CG2-CG2 3.82Å; I423-T425 PolarHBondContact O-N 2.98Å; T425-D527 WeakPolarHBondContact CB-OD2 3.45Å; T425-D527 PolarHBondContact OG1-OD2 3.32Å
426	I	87.7	Confident	69.1	Low	27 Å²	27	75.3 Å²	75.3	14%	0.138	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.3	-174.2	60.5	178.6	0	0	0	110.5	T428 F445 L446 E447 T526 D527	I426-T428 PolarHBondContact O-N 3.2Å; I426-F445 HydrophobicContact CB-CB 4.42Å; I426-F445 HydrophobicContact CB-CD2 3.73Å; I426-F445 HydrophobicContact CB-CE2 4.36Å; I426-F445 HydrophobicContact CB-CG 4.31Å; I426-F445 HydrophobicContact CD1-CD2 4.31Å; I426-F445 HydrophobicContact CD1-CE2 4.48Å; I426-F445 HydrophobicContact CG2-CD2 3.83Å; I426-F445 HydrophobicContact CG2-CE2 4.02Å; I426-L446 VanDerWaalsContact CA-O 3.28Å; I426-L446 WeakPolarHBondContact CA-O 3.44Å; I426-E447 HydrophobicContact CG2-CB 3.77Å; I426-E447 HydrophobicContact CG2-CG 3.82Å; I426-T526 HydrophobicContact CD1-CG2 4.48Å; I426-T526 HydrophobicContact CG1-CG2 4.26Å; I426-T526 WeakPolarHBondContact O-CA 3.32Å; I426-D527 PolarHBondContact O-N 2.96Å
427	A	90.8	Very high	71.6	Confident	19 Å²	19	69.5 Å²	69.5	16%	0.157	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	115.7	178.4	0	0	0	0	0	109	L429 F445 L446 D527	A427-L429 PolarHBondContact O-N 3.39Å; A427-F445 CarbonylContact O-C 3.54Å; A427-F445 VanDerWaalsContact O-CA 3.26Å; A427-F445 WeakPolarHBondContact O-CA 3.45Å; A427-F445 WeakPolarHBondContact O-CB 3.13Å; A427-L446 HydrophobicContact CB-CB 4.34Å; A427-L446 PolarHBondContact N-O 3.48Å; A427-L446 PolarHBondContact O-N 3.04Å; A427-D527 HydrophobicContact CB-CB 4.49Å
428	T	93.8	Very high	74.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.1	-176.7	-67.2	0	0	0	0	110.4	I426 F431 H443 G518 A520 T526	I426-T428 PolarHBondContact O-N 3.2Å; T428-F431 HydrophobicContact CG2-CB 4.03Å; T428-H443 PolarHBondContact OG1-NE2 2.81Å; T428-G518 CarbonylContact O-C 3.59Å; T428-G518 VanDerWaalsContact O-CA 3.22Å; T428-G518 WeakPolarHBondContact O-CA 3.38Å; T428-G518 VanDerWaalsContact O-O 3.06Å; T428-A520 HydrophobicContact CG2-CB 4.33Å; T428-T526 WeakPolarHBondContact OG1-CB 3.26Å; T428-T526 WeakPolarHBondContact OG1-CG2 3.27Å
429	L	96.2	Very high	77.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-55.5	174.4	-58.7	-176.1	0	0	0	110.4	L406 I408 A427 L444 L446 I479 I517 G518 F529 M533	L406-L429 HydrophobicContact CD1-CB 4.11Å; I408-L429 HydrophobicContact CD1-CD1 4.46Å; I408-L429 HydrophobicContact CG2-CD2 4.47Å; A427-L429 PolarHBondContact O-N 3.39Å; L429-L444 HydrophobicContact CB-CD2 4.03Å; L429-L444 HydrophobicContact CB-CG 4.25Å; L429-L444 WeakPolarHBondContact CB-O 3.4Å; L429-L444 HydrophobicContact CD1-CD2 4.06Å; L429-L444 HydrophobicContact CD1-CG 4.22Å; L429-L444 PolarHBondContact N-O 2.98Å; L429-L446 HydrophobicContact CD1-CD2 3.88Å; L429-L446 HydrophobicContact CD1-CG 4.09Å; L429-L446 HydrophobicContact CD2-CD1 4.13Å; L429-L446 HydrophobicContact CD2-CG 4.01Å; L429-L446 HydrophobicContact CG-CD2 4.49Å; L429-L446 HydrophobicContact CG-CG 4.15Å; L429-I479 HydrophobicContact CD1-CD1 3.55Å; L429-I517 WeakPolarHBondContact O-CA 3.44Å; L429-G518 PolarHBondContact O-N 3.47Å; L429-G518 VanDerWaalsContact O-N 3.16Å; L429-F529 HydrophobicContact CD2-CD2 3.42Å; L429-F529 VanDerWaalsContact CD2-CD2 3.42Å; L429-F529 HydrophobicContact CD2-CE2 3.74Å; L429-F529 HydrophobicContact CD2-CG 4.19Å; L429-M533 HydrophobicContact CB-CE 4.04Å; L429-M533 HydrophobicContact CD2-CE 3.47Å; L429-M533 VanDerWaalsContact CD2-CE 3.47Å; L429-M533 HydrophobicContact CG-CE 4.36Å
430	L	97.5	Very high	80	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.1	-176.4	-175.2	67.9	0	0	0	109.5	F404 I432 L444 I515 W516 I517 L543	F404-L430 HydrophobicContact CB-CD2 3.7Å; F404-L430 HydrophobicContact CG-CD2 4.1Å; L430-I432 HydrophobicContact CD2-CD1 3.93Å; L430-I432 HydrophobicContact CG-CD1 3.83Å; L430-L444 HydrophobicContact CB-CB 4.18Å; L430-L444 HydrophobicContact CB-CD2 4.48Å; L430-L444 PolarHBondContact N-O 2.91Å; L430-L444 VanDerWaalsContact N-O 3.14Å; L430-L444 PolarHBondContact O-N 3.27Å; L430-I515 HydrophobicContact CD1-CG2 3.56Å; L430-W516 WeakPolarHBondContact CA-O 3.35Å; L430-I517 HydrophobicContact CD1-CG1 4.06Å; L430-L543 HydrophobicContact CD1-CD1 4.08Å
431	F	97.2	Very high	83.2	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.9	177.3	179.9	-124.2	0	0	0	111.1	T428 T433 Q437 F441 I442 H443 I515 W516 A520 L523	T428-F431 HydrophobicContact CG2-CB 4.03Å; F431-T433 HydrophobicContact CD1-CG2 4.23Å; F431-T433 HydrophobicContact CE1-CG2 3.5Å; F431-T433 HydrophobicContact CE2-CG2 4.3Å; F431-T433 HydrophobicContact CZ-CG2 3.55Å; F431-Q437 HydrophobicContact CE1-CG 4.24Å; F431-F441 HydrophobicContact CE2-CB 3.83Å; F431-F441 AromaticContact CE2-CD2 3.87Å; F431-F441 HydrophobicContact CE2-CD2 3.87Å; F431-F441 HydrophobicContact CE2-CG 4.1Å; F431-F441 HydrophobicContact CZ-CB 4.38Å; F431-I442 CarbonylContact C-O 3.53Å; F431-I442 WeakPolarHBondContact CA-O 3.32Å; F431-I442 WeakPolarHBondContact CD2-O 3.3Å; F431-H443 HydrophobicContact CD2-CB 3.7Å; F431-H443 AromaticContact CD2-CD2 3.92Å; F431-H443 AromaticContact CD2-CG 3.97Å; F431-H443 HydrophobicContact CE2-CB 4.15Å; F431-I515 CarbonylContact O-C 3.52Å; F431-I515 WeakPolarHBondContact O-CA 3.32Å; F431-W516 HydrophobicContact CB-CB 4.32Å; F431-W516 AromaticContact CD1-CD1 3.77Å; F431-W516 HydrophobicContact CD1-CG 4.37Å; F431-W516 PolarHBondContact N-O 3.28Å; F431-W516 PolarHBondContact O-N 2.92Å; F431-A520 HydrophobicContact CB-CB 4.35Å; F431-A520 HydrophobicContact CD1-CB 3.74Å; F431-A520 HydrophobicContact CE1-CB 4.45Å; F431-A520 HydrophobicContact CG-CB 4.34Å; F431-L523 HydrophobicContact CD1-CD2 4.32Å; F431-L523 HydrophobicContact CD2-CD2 4.01Å; F431-L523 HydrophobicContact CE1-CB 4.49Å; F431-L523 HydrophobicContact CE1-CD2 4.15Å; F431-L523 HydrophobicContact CE2-CD2 3.84Å; F431-L523 HydrophobicContact CG-CD2 4.25Å; F431-L523 HydrophobicContact CZ-CD1 4.27Å; F431-L523 HydrophobicContact CZ-CD2 3.91Å
432	I	97.8	Very high	86.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.7	179.1	-48.4	97.1	0	0	0	109.2	L430 F441 I442 F509 Q512 V514 I515 Y538	L430-I432 HydrophobicContact CD2-CD1 3.93Å; L430-I432 HydrophobicContact CG-CD1 3.83Å; I432-F441 CarbonylContact O-C 3.59Å; I432-F441 VanDerWaalsContact O-CA 3.26Å; I432-F441 WeakPolarHBondContact O-CA 3.23Å; I432-I442 HydrophobicContact CD1-CB 3.94Å; I432-I442 HydrophobicContact CD1-CG2 4Å; I432-I442 PolarHBondContact N-O 2.86Å; I432-I442 PolarHBondContact O-N 2.85Å; I432-F509 HydrophobicContact CB-CE1 3.93Å; I432-F509 HydrophobicContact CB-CZ 3.85Å; I432-F509 HydrophobicContact CG2-CE1 3.78Å; I432-F509 HydrophobicContact CG2-CZ 3.7Å; I432-F509 WeakPolarHBondContact O-CZ 3.34Å; I432-Q512 HydrophobicContact CG2-CB 4.32Å; I432-Q512 HydrophobicContact CG2-CG 4.2Å; I432-V514 WeakPolarHBondContact CA-O 3.18Å; I432-I515 HydrophobicContact CG1-CG1 4.04Å; I432-I515 HydrophobicContact CG1-CG2 4.15Å; I432-I515 HydrophobicContact CG2-CG1 4.09Å; I432-Y538 HydrophobicContact CD1-CD2 4.25Å; I432-Y538 HydrophobicContact CD1-CE2 3.92Å; I432-Y538 HydrophobicContact CG1-CD1 4.4Å; I432-Y538 HydrophobicContact CG1-CE1 4.06Å; I432-Y538 HydrophobicContact CG1-CE2 4.19Å; I432-Y538 HydrophobicContact CG2-CE1 4.08Å
433	T	96.7	Very high	89	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-163.5	174	-175.3	0	0	0	0	110.2	F431 Q437 D440 E513 V514	F431-T433 HydrophobicContact CD1-CG2 4.23Å; F431-T433 HydrophobicContact CE1-CG2 3.5Å; F431-T433 HydrophobicContact CE2-CG2 4.3Å; F431-T433 HydrophobicContact CZ-CG2 3.55Å; T433-Q437 HydrophobicContact CG2-CB 4.09Å; T433-Q437 HydrophobicContact CG2-CG 3.87Å; T433-D440 PolarHBondContact OG1-O 3.33Å; T433-E513 PolarHBondContact O-N 3.04Å; T433-V514 HydrophobicContact CG2-CG1 4.41Å; T433-V514 PolarHBondContact N-O 2.83Å; T433-V514 VanDerWaalsContact N-O 3.12Å; T433-V514 PolarHBondContact O-N 2.81Å
434	N	95.5	Very high	91.4	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.112	19%	0.193	C	C	.	.			trans	-86.8	166.9	168	53.2	66.7	0	0	0	112.5	K436 Q437 T438 N511 E513	N434-K436 PolarHBondContact O-N 2.76Å; N434-K436 WeakPolarHBondContact OD1-CB 3.2Å; N434-K436 PolarHBondContact OD1-N 2.72Å; N434-Q437 PolarHBondContact O-N 3.22Å; N434-Q437 PolarHBondContact OD1-N 3.35Å; N434-Q437 VanDerWaalsContact OD1-N 3.08Å; N434-T438 PolarHBondContact ND2-O 3.14Å; N434-T438 PolarHBondContact OD1-N 2.76Å; N434-N511 WeakPolarHBondContact CB-O 3.47Å; N434-E513 HydrophobicContact CB-CB 4.31Å
435	L	93.2	Very high	93.4	Very high	74 Å²	74	30.7 Å²	30.7	39%	0.387	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.7	-179.7	-74.7	173.9	0	0	0	114.4	I391 E513 V514	I391-L435 HydrophobicContact CD1-CD2 4.33Å; I391-L435 HydrophobicContact CG2-CD2 4.33Å; L435-E513 VanDerWaalsContact CB-OE2 3.28Å; L435-E513 WeakPolarHBondContact CB-OE2 3.04Å; L435-E513 HydrophobicContact CD1-CG 4.13Å; L435-E513 WeakPolarHBondContact CD1-OE1 3.2Å; L435-E513 HydrophobicContact CG-CB 4.49Å; L435-E513 VanDerWaalsContact CG-CD 3.48Å; L435-E513 HydrophobicContact CG-CG 3.9Å; L435-E513 WeakPolarHBondContact CG-OE2 3.48Å; L435-E513 PolarHBondContact N-OE2 3.08Å; L435-V514 HydrophobicContact CD2-CB 3.95Å; L435-V514 HydrophobicContact CD2-CG1 4.21Å; L435-V514 HydrophobicContact CD2-CG2 4.31Å
436	K	91.7	Very high	94.4	Very high	169 Å²	169	28 Å²	28	74%	0.735	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.2	175.1	-62.4	177.8	-176.6	172.7	0	113.3	N434 T438	N434-K436 PolarHBondContact O-N 2.76Å; N434-K436 WeakPolarHBondContact OD1-CB 3.2Å; N434-K436 PolarHBondContact OD1-N 2.72Å; K436-T438 VanDerWaalsContact C-N 3.32Å; K436-T438 HydrophobicContact CB-CG2 4.3Å; K436-T438 PolarHBondContact O-N 2.77Å
437	Q	90.6	Very high	94.5	Very high	34 Å²	34	29 Å²	29	16%	0.159	16%	0.16	C	C	.	.			trans	55.9	43.1	-173.1	-47.6	-166.3	-3.5	0	0	112.8	F431 T433 N434	F431-Q437 HydrophobicContact CE1-CG 4.24Å; T433-Q437 HydrophobicContact CG2-CB 4.09Å; T433-Q437 HydrophobicContact CG2-CG 3.87Å; N434-Q437 PolarHBondContact O-N 3.22Å; N434-Q437 PolarHBondContact OD1-N 3.35Å; N434-Q437 VanDerWaalsContact OD1-N 3.08Å
438	T	89.6	Confident	94.3	Very high	84 Å²	84	32.2 Å²	32.2	52%	0.515	18%	0.181	S	C	.	.			trans	-130.4	136.1	-176.6	54.2	0	0	0	0	112.5	N434 K436	N434-T438 PolarHBondContact ND2-O 3.14Å; N434-T438 PolarHBondContact OD1-N 2.76Å; K436-T438 VanDerWaalsContact C-N 3.32Å; K436-T438 HydrophobicContact CB-CG2 4.3Å; K436-T438 PolarHBondContact O-N 2.77Å
439	G	92.1	Very high	93.9	Very high	54 Å²	54	35.8 Å²	35.8	56%	0.557	20%	0.2	S	C	*	.	S	Bend	trans	82.5	-136	-173.1	0	0	0	0	0	109.7
440	D	96.1	Very high	93.7	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.128	22%	0.219	C	C	.	.			trans	-63.8	142.6	-169.2	-47.8	0.6	0	0	0	113.5	T433 D456 M457 F509 N510	T433-D440 PolarHBondContact OG1-O 3.33Å; D440-D456 WeakPolarHBondContact CA-O 3.15Å; D440-D456 WeakPolarHBondContact CB-O 3.39Å; D440-M457 HydrophobicContact CB-SD 4.34Å; D440-F509 HydrophobicContact CB-CD2 3.65Å; D440-F509 HydrophobicContact CB-CE2 3.92Å; D440-N510 VanDerWaalsContact OD2-CB 3.3Å; D440-N510 WeakPolarHBondContact OD2-CB 3.3Å; D440-N510 PolarHBondContact OD2-N 2.78Å; D440-N510 PolarHBondContact OD2-ND2 2.97Å
441	F	96.3	Very high	93.6	Very high	36 Å²	36	40.8 Å²	40.8	16%	0.158	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	160.1	177	71.2	-88.4	0	0	0	112.8	F431 I432 H443 Y455 D456 I461	F431-F441 HydrophobicContact CE2-CB 3.83Å; F431-F441 AromaticContact CE2-CD2 3.87Å; F431-F441 HydrophobicContact CE2-CD2 3.87Å; F431-F441 HydrophobicContact CE2-CG 4.1Å; F431-F441 HydrophobicContact CZ-CB 4.38Å; I432-F441 CarbonylContact O-C 3.59Å; I432-F441 VanDerWaalsContact O-CA 3.26Å; I432-F441 WeakPolarHBondContact O-CA 3.23Å; F441-H443 HydrophobicContact CD2-CB 3.99Å; F441-H443 HydrophobicContact CE2-CB 4.05Å; F441-Y455 WeakPolarHBondContact O-CA 3.42Å; F441-Y455 WeakPolarHBondContact O-CB 3.27Å; F441-D456 HydrophobicContact CD1-CB 3.99Å; F441-D456 HydrophobicContact CE1-CB 3.6Å; F441-D456 HydrophobicContact CZ-CB 4.35Å; F441-D456 PolarHBondContact N-O 3.14Å; F441-D456 VanDerWaalsContact N-O 3.08Å; F441-D456 PolarHBondContact O-N 2.81Å; F441-I461 HydrophobicContact CE1-CG1 4.25Å; F441-I461 HydrophobicContact CZ-CD1 4.41Å; F441-I461 HydrophobicContact CZ-CG1 4.19Å; F441-I461 HydrophobicContact CZ-CG2 4.2Å
442	I	96.9	Very high	93.5	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.6	162.9	-66.6	-178	0	0	0	107.9	D402 F404 F431 I432 L453 M457 F509	D402-I442 HydrophobicContact CB-CD1 4.19Å; F404-I442 HydrophobicContact CE1-CG2 4.42Å; F431-I442 CarbonylContact C-O 3.53Å; F431-I442 WeakPolarHBondContact CA-O 3.32Å; F431-I442 WeakPolarHBondContact CD2-O 3.3Å; I432-I442 HydrophobicContact CD1-CB 3.94Å; I432-I442 HydrophobicContact CD1-CG2 4Å; I432-I442 PolarHBondContact N-O 2.86Å; I432-I442 PolarHBondContact O-N 2.85Å; I442-L453 HydrophobicContact CG2-CD1 3.76Å; I442-M457 HydrophobicContact CD1-CE 3.8Å; I442-M457 HydrophobicContact CG1-CE 3.54Å; I442-F509 HydrophobicContact CB-CE1 4.07Å; I442-F509 HydrophobicContact CB-CZ 4.38Å; I442-F509 HydrophobicContact CD1-CD1 3.52Å; I442-F509 HydrophobicContact CD1-CE1 3.51Å; I442-F509 HydrophobicContact CG1-CD1 3.83Å; I442-F509 HydrophobicContact CG1-CE1 3.5Å; I442-F509 VanDerWaalsContact CG1-CE1 3.5Å; I442-F509 HydrophobicContact CG1-CZ 4.03Å
443	H	96.5	Very high	93.4	Very high	7 Å²	7	42.7 Å²	42.7	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.1	178.3	-174	-151.6	0	0	0	111	T428 F431 F441 F445 L453 T454 L523	T428-H443 PolarHBondContact OG1-NE2 2.81Å; F431-H443 HydrophobicContact CD2-CB 3.7Å; F431-H443 AromaticContact CD2-CD2 3.92Å; F431-H443 AromaticContact CD2-CG 3.97Å; F431-H443 HydrophobicContact CE2-CB 4.15Å; F441-H443 HydrophobicContact CD2-CB 3.99Å; F441-H443 HydrophobicContact CE2-CB 4.05Å; H443-F445 HydrophobicContact CB-CD1 4.49Å; H443-F445 AromaticContact CE1-CD1 3.64Å; H443-F445 AromaticContact CE1-CG 3.97Å; H443-F445 AromaticContact CG-CD1 3.79Å; H443-F445 AromaticContact ND1-CD1 3.44Å; H443-F445 WeakPolarHBondContact ND1-CD1 3.3Å; H443-F445 AromaticContact ND1-CE1 3.89Å; H443-F445 WeakPolarHBondContact O-CD1 3.5Å; H443-L453 CarbonylContact O-C 3.6Å; H443-L453 WeakPolarHBondContact O-CA 3.29Å; H443-T454 PolarHBondContact N-O 2.94Å; H443-T454 PolarHBondContact O-N 2.84Å; H443-L523 VanDerWaalsContact CE1-CD2 3.49Å; H443-L523 WeakPolarHBondContact CE1-CD2 3.18Å
444	L	97.4	Very high	93.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	170.4	-173.1	78.7	0	0	0	109.1	F404 L406 L429 L430 V451 L453 I479 L490	F404-L444 HydrophobicContact CD2-CD2 4.07Å; F404-L444 HydrophobicContact CE2-CD1 3.77Å; F404-L444 HydrophobicContact CE2-CD2 3.69Å; F404-L444 HydrophobicContact CE2-CG 4.24Å; F404-L444 HydrophobicContact CZ-CD1 3.93Å; F404-L444 HydrophobicContact CZ-CD2 4.49Å; L406-L444 HydrophobicContact CD2-CD2 3.67Å; L429-L444 HydrophobicContact CB-CD2 4.03Å; L429-L444 HydrophobicContact CB-CG 4.25Å; L429-L444 WeakPolarHBondContact CB-O 3.4Å; L429-L444 HydrophobicContact CD1-CD2 4.06Å; L429-L444 HydrophobicContact CD1-CG 4.22Å; L429-L444 PolarHBondContact N-O 2.98Å; L430-L444 HydrophobicContact CB-CB 4.18Å; L430-L444 HydrophobicContact CB-CD2 4.48Å; L430-L444 PolarHBondContact N-O 2.91Å; L430-L444 VanDerWaalsContact N-O 3.14Å; L430-L444 PolarHBondContact O-N 3.27Å; L444-V451 HydrophobicContact CD1-CG1 3.72Å; L444-V451 HydrophobicContact CG-CG1 4.44Å; L444-L453 HydrophobicContact CB-CD1 4.26Å; L444-L453 HydrophobicContact CD1-CB 4.28Å; L444-L453 HydrophobicContact CD1-CD1 4.14Å; L444-I479 HydrophobicContact CD2-CG2 4.14Å; L444-L490 HydrophobicContact CD1-CD1 4.15Å
445	F	95.7	Very high	93.3	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.057	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	168.2	-175.8	58.7	-84.2	0	0	0	112.1	I426 A427 H443 E447 K452 T454	I426-F445 HydrophobicContact CB-CB 4.42Å; I426-F445 HydrophobicContact CB-CD2 3.73Å; I426-F445 HydrophobicContact CB-CE2 4.36Å; I426-F445 HydrophobicContact CB-CG 4.31Å; I426-F445 HydrophobicContact CD1-CD2 4.31Å; I426-F445 HydrophobicContact CD1-CE2 4.48Å; I426-F445 HydrophobicContact CG2-CD2 3.83Å; I426-F445 HydrophobicContact CG2-CE2 4.02Å; A427-F445 CarbonylContact O-C 3.54Å; A427-F445 VanDerWaalsContact O-CA 3.26Å; A427-F445 WeakPolarHBondContact O-CA 3.45Å; A427-F445 WeakPolarHBondContact O-CB 3.13Å; H443-F445 HydrophobicContact CB-CD1 4.49Å; H443-F445 AromaticContact CE1-CD1 3.64Å; H443-F445 AromaticContact CE1-CG 3.97Å; H443-F445 AromaticContact CG-CD1 3.79Å; H443-F445 AromaticContact ND1-CD1 3.44Å; H443-F445 WeakPolarHBondContact ND1-CD1 3.3Å; H443-F445 AromaticContact ND1-CE1 3.89Å; H443-F445 WeakPolarHBondContact O-CD1 3.5Å; F445-E447 HydrophobicContact CD2-CB 4.03Å; F445-E447 HydrophobicContact CE2-CB 3.87Å; F445-K452 HydrophobicContact CD2-CB 4.24Å; F445-K452 HydrophobicContact CE1-CB 4.28Å; F445-K452 HydrophobicContact CE2-CB 3.73Å; F445-K452 HydrophobicContact CE2-CD 4.25Å; F445-K452 HydrophobicContact CE2-CG 4.48Å; F445-K452 HydrophobicContact CZ-CB 3.75Å; F445-K452 PolarHBondContact N-O 2.76Å; F445-K452 PolarHBondContact O-N 3.03Å; F445-T454 HydrophobicContact CE1-CG2 3.78Å; F445-T454 HydrophobicContact CZ-CG2 3.94Å
446	L	93.1	Very high	93.4	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133	166.7	-55.5	177.1	0	0	0	109.4	I410 I426 A427 L429 R450 V451 V471 F529	I410-L446 HydrophobicContact CD1-CD1 3.39Å; I410-L446 HydrophobicContact CG1-CD1 4.47Å; I426-L446 VanDerWaalsContact CA-O 3.28Å; I426-L446 WeakPolarHBondContact CA-O 3.44Å; A427-L446 HydrophobicContact CB-CB 4.34Å; A427-L446 PolarHBondContact N-O 3.48Å; A427-L446 PolarHBondContact O-N 3.04Å; L429-L446 HydrophobicContact CD1-CD2 3.88Å; L429-L446 HydrophobicContact CD1-CG 4.09Å; L429-L446 HydrophobicContact CD2-CD1 4.13Å; L429-L446 HydrophobicContact CD2-CG 4.01Å; L429-L446 HydrophobicContact CG-CD2 4.49Å; L429-L446 HydrophobicContact CG-CG 4.15Å; L446-R450 WeakPolarHBondContact CA-O 3.38Å; L446-V451 HydrophobicContact CD2-CG2 3.91Å; L446-V471 HydrophobicContact CD1-CG2 4.27Å; L446-V471 HydrophobicContact CD2-CG2 3.5Å; L446-V471 VanDerWaalsContact CD2-CG2 3.5Å; L446-F529 HydrophobicContact CD1-CD2 4.42Å; L446-F529 HydrophobicContact CD1-CE2 4.38Å
447	E	90.3	Very high	93.6	Very high	50 Å²	50	32.8 Å²	32.8	23%	0.234	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.6	168.7	-176.9	-176	-140.8	0	0	109.3	I426 F445 D449 R450 K452	I426-E447 HydrophobicContact CG2-CB 3.77Å; I426-E447 HydrophobicContact CG2-CG 3.82Å; F445-E447 HydrophobicContact CD2-CB 4.03Å; F445-E447 HydrophobicContact CE2-CB 3.87Å; E447-D449 VanDerWaalsContact C-N 3.34Å; E447-R450 PolarHBondContact N-O 2.83Å; E447-K452 HydrophobicContact CB-CD 4Å; E447-K452 WeakPolarHBondContact O-CE 3.39Å; E447-K452 IonicContact OE2-NZ 3.62Å; E447-K452 PolarHBondContact OE2-NZ 2.86Å
448	S	86.3	Confident	93.6	Very high	86 Å²	86	32.6 Å²	32.6	60%	0.601	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	53.6	-167.4	-57.5	0	0	0	0	111.6	R450	S448-R450 WeakPolarHBondContact O-CG 3.35Å; S448-R450 PolarHBondContact O-N 2.75Å
449	D	85.5	Confident	93.6	Very high	75 Å²	75	31.7 Å²	31.7	40%	0.401	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	12.8	173.7	-52	-68.5	0	0	0	116.3	E447 S470 V471 N472	E447-D449 VanDerWaalsContact C-N 3.34Å; D449-S470 WeakPolarHBondContact CB-OG 3.45Å; D449-S470 WeakPolarHBondContact O-CA 3.45Å; D449-V471 WeakPolarHBondContact O-CG2 3.45Å; D449-V471 PolarHBondContact O-N 3.38Å; D449-N472 HydrophobicContact CB-CB 3.88Å; D449-N472 VanDerWaalsContact CB-CG 3.44Å; D449-N472 WeakPolarHBondContact CB-ND2 3.18Å; D449-N472 VanDerWaalsContact CG-CG 3.41Å; D449-N472 WeakPolarHBondContact OD1-CB 3.49Å; D449-N472 PolarHBondContact OD1-ND2 3.08Å; D449-N472 PolarHBondContact OD2-ND2 2.98Å
450	R	91.2	Very high	93.5	Very high	104 Å²	104	30.3 Å²	30.3	39%	0.392	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.2	-177.4	-63.9	173.3	-169.9	-166.1	-7	111.3	L446 E447 S448 K452 N468	L446-R450 WeakPolarHBondContact CA-O 3.38Å; E447-R450 PolarHBondContact N-O 2.83Å; S448-R450 WeakPolarHBondContact O-CG 3.35Å; S448-R450 PolarHBondContact O-N 2.75Å; R450-K452 PolarHBondContact O-N 2.84Å; R450-N468 PolarHBondContact NH1-OD1 2.82Å; R450-N468 PolarHBondContact NH2-OD1 3.36Å
451	V	95.6	Very high	93.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.4	176.2	-173.7	0	0	0	0	110.1	L444 L446 G466 V471 I479 L490 V492	L444-V451 HydrophobicContact CD1-CG1 3.72Å; L444-V451 HydrophobicContact CG-CG1 4.44Å; L446-V451 HydrophobicContact CD2-CG2 3.91Å; V451-G466 VanDerWaalsContact O-CA 3.3Å; V451-G466 WeakPolarHBondContact O-CA 3.35Å; V451-G466 PolarHBondContact O-N 2.94Å; V451-V471 HydrophobicContact CG2-CG1 4.14Å; V451-V471 HydrophobicContact CG2-CG2 4.21Å; V451-I479 HydrophobicContact CG1-CD1 4.12Å; V451-I479 HydrophobicContact CG1-CG2 4.06Å; V451-I479 HydrophobicContact CG2-CD1 3.54Å; V451-I479 HydrophobicContact CG2-CG1 4.02Å; V451-L490 HydrophobicContact CG1-CD1 4.39Å; V451-L490 HydrophobicContact CG1-CD2 4.39Å; V451-V492 HydrophobicContact CB-CG2 3.97Å; V451-V492 HydrophobicContact CG1-CG2 4.41Å; V451-V492 HydrophobicContact CG2-CG2 3.75Å
452	K	95.6	Very high	93.3	Very high	40 Å²	40	32.3 Å²	32.3	17%	0.174	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.9	172.9	-59.1	-172.4	-163.2	175	0	109.9	F445 E447 R450	F445-K452 HydrophobicContact CD2-CB 4.24Å; F445-K452 HydrophobicContact CE1-CB 4.28Å; F445-K452 HydrophobicContact CE2-CB 3.73Å; F445-K452 HydrophobicContact CE2-CD 4.25Å; F445-K452 HydrophobicContact CE2-CG 4.48Å; F445-K452 HydrophobicContact CZ-CB 3.75Å; F445-K452 PolarHBondContact N-O 2.76Å; F445-K452 PolarHBondContact O-N 3.03Å; E447-K452 HydrophobicContact CB-CD 4Å; E447-K452 WeakPolarHBondContact O-CE 3.39Å; E447-K452 IonicContact OE2-NZ 3.62Å; E447-K452 PolarHBondContact OE2-NZ 2.86Å; R450-K452 PolarHBondContact O-N 2.84Å
453	L	96.2	Very high	93.2	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.5	-177.5	178.4	69.4	0	0	0	108.4	F404 I442 H443 L444 I464 I488 L490	F404-L453 HydrophobicContact CE1-CD1 4.18Å; F404-L453 HydrophobicContact CE1-CD2 4.48Å; F404-L453 HydrophobicContact CZ-CD1 3.94Å; F404-L453 HydrophobicContact CZ-CD2 4.2Å; I442-L453 HydrophobicContact CG2-CD1 3.76Å; H443-L453 CarbonylContact O-C 3.6Å; H443-L453 WeakPolarHBondContact O-CA 3.29Å; L444-L453 HydrophobicContact CB-CD1 4.26Å; L444-L453 HydrophobicContact CD1-CB 4.28Å; L444-L453 HydrophobicContact CD1-CD1 4.14Å; L453-I464 HydrophobicContact CB-CB 4.09Å; L453-I464 HydrophobicContact CB-CG2 4.11Å; L453-I464 HydrophobicContact CD2-CD1 4.33Å; L453-I464 HydrophobicContact CD2-CG2 4.46Å; L453-I464 PolarHBondContact N-O 2.99Å; L453-I464 WeakPolarHBondContact O-CA 3.37Å; L453-I464 PolarHBondContact O-N 2.92Å; L453-I464 VanDerWaalsContact O-O 3.09Å; L453-I488 HydrophobicContact CD2-CG2 3.99Å; L453-L490 HydrophobicContact CB-CD2 3.99Å
454	T	95	Very high	93	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.8	166	55.2	0	0	0	0	109.9	H443 F445 V462 H463	H443-T454 PolarHBondContact N-O 2.94Å; H443-T454 PolarHBondContact O-N 2.84Å; F445-T454 HydrophobicContact CE1-CG2 3.78Å; F445-T454 HydrophobicContact CZ-CG2 3.94Å; T454-V462 VanDerWaalsContact CA-O 3.31Å; T454-V462 WeakPolarHBondContact CA-O 3.48Å; T454-H463 HydrophobicContact CG2-CB 4.41Å; T454-H463 VanDerWaalsContact CG2-ND1 3.25Å; T454-H463 WeakPolarHBondContact CG2-ND1 3.37Å
455	Y	95.4	Very high	92.7	Very high	4 Å²	4	43 Å²	43	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.4	177.1	74.8	-90.8	0	0	0	110.3	F441 M457 I461 V462 I464 I488 V501	F441-Y455 WeakPolarHBondContact O-CA 3.42Å; F441-Y455 WeakPolarHBondContact O-CB 3.27Å; Y455-M457 HydrophobicContact CD2-CE 3.78Å; Y455-M457 HydrophobicContact CD2-CG 3.73Å; Y455-M457 HydrophobicContact CD2-SD 4.32Å; Y455-M457 HydrophobicContact CE2-CG 3.87Å; Y455-M457 HydrophobicContact CG-CE 4.32Å; Y455-I461 WeakPolarHBondContact O-CA 3.33Å; Y455-V462 HydrophobicContact CD1-CB 3.89Å; Y455-V462 HydrophobicContact CD1-CG1 4.24Å; Y455-V462 HydrophobicContact CE1-CB 3.43Å; Y455-V462 VanDerWaalsContact CE1-CB 3.43Å; Y455-V462 HydrophobicContact CE1-CG1 3.46Å; Y455-V462 VanDerWaalsContact CE1-CG1 3.46Å; Y455-V462 HydrophobicContact CE1-CG2 4.04Å; Y455-V462 HydrophobicContact CE2-CB 4.15Å; Y455-V462 HydrophobicContact CE2-CG2 3.95Å; Y455-V462 HydrophobicContact CG-CB 4.41Å; Y455-V462 PolarHBondContact N-O 3.13Å; Y455-V462 PolarHBondContact O-N 3.16Å; Y455-I464 HydrophobicContact CE1-CD1 4.03Å; Y455-I488 HydrophobicContact CD1-CD1 3.77Å; Y455-I488 HydrophobicContact CE1-CD1 3.13Å; Y455-I488 HydrophobicContact CE2-CD1 4.46Å; Y455-V501 WeakPolarHBondContact OH-CG2 3.47Å
456	D	94.7	Very high	92.4	Very high	31 Å²	31	42.6 Å²	42.6	17%	0.166	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.7	166.2	-162.2	-27.8	0	0	0	107.3	D440 F441 G458 G460 I461	D440-D456 WeakPolarHBondContact CA-O 3.15Å; D440-D456 WeakPolarHBondContact CB-O 3.39Å; F441-D456 HydrophobicContact CD1-CB 3.99Å; F441-D456 HydrophobicContact CE1-CB 3.6Å; F441-D456 HydrophobicContact CZ-CB 4.35Å; F441-D456 PolarHBondContact N-O 3.14Å; F441-D456 VanDerWaalsContact N-O 3.08Å; F441-D456 PolarHBondContact O-N 2.81Å; D456-G458 VanDerWaalsContact OD1-CA 3.32Å; D456-G458 WeakPolarHBondContact OD1-CA 3.2Å; D456-G458 PolarHBondContact OD1-N 3.24Å; D456-G460 PolarHBondContact OD1-N 3.06Å; D456-G460 VanDerWaalsContact OD2-CA 3.23Å; D456-G460 WeakPolarHBondContact OD2-CA 3.29Å; D456-I461 HydrophobicContact CB-CG1 4.28Å; D456-I461 PolarHBondContact OD2-N 3.08Å
457	M	94.6	Very high	92.3	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.039	25%	0.245	C	C	.	.	S	Bend	trans	-123.9	21.1	175.1	-55.8	-48.5	176.3	0	0	110.8	D440 I442 Y455 G506 F509	D440-M457 HydrophobicContact CB-SD 4.34Å; I442-M457 HydrophobicContact CD1-CE 3.8Å; I442-M457 HydrophobicContact CG1-CE 3.54Å; Y455-M457 HydrophobicContact CD2-CE 3.78Å; Y455-M457 HydrophobicContact CD2-CG 3.73Å; Y455-M457 HydrophobicContact CD2-SD 4.32Å; Y455-M457 HydrophobicContact CE2-CG 3.87Å; Y455-M457 HydrophobicContact CG-CE 4.32Å; M457-G506 VanDerWaalsContact O-CA 3.32Å; M457-G506 WeakPolarHBondContact O-CA 3.48Å; M457-F509 HydrophobicContact CE-CB 3.62Å; M457-F509 HydrophobicContact CE-CD1 3.92Å; M457-F509 HydrophobicContact CE-CD2 4.12Å; M457-F509 HydrophobicContact CE-CG 3.62Å; M457-F509 WeakPolarHBondContact SD-CA 3.41Å; M457-F509 HydrophobicContact SD-CB 3.41Å; M457-F509 WeakPolarHBondContact SD-CB 3.41Å; M457-F509 HydrophobicContact SD-CD2 3.7Å; M457-F509 HydrophobicContact SD-CG 3.63Å
458	G	90.5	Very high	92.2	Very high	30 Å²	30	46 Å²	46	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	89	150	-158.7	0	0	0	0	0	112	D456 G460 Y505 G506	D456-G458 VanDerWaalsContact OD1-CA 3.32Å; D456-G458 WeakPolarHBondContact OD1-CA 3.2Å; D456-G458 PolarHBondContact OD1-N 3.24Å; G458-G460 VanDerWaalsContact C-N 3.27Å; G458-Y505 CarbonylContact O-C 3.56Å; G458-Y505 WeakPolarHBondContact O-CA 3.22Å; G458-G506 PolarHBondContact O-N 3.37Å
459	G	89.8	Confident	92.4	Very high	64 Å²	64	44.1 Å²	44.1	66%	0.66	25%	0.249	S	C	*	.	S	Bend	trans	87.2	-14.8	-174	0	0	0	0	0	114.3
460	G	91.9	Very high	92.6	Very high	26 Å²	26	42.9 Å²	42.9	27%	0.268	25%	0.246	S	C	.	.	S	Bend	trans	121	170.6	172.6	0	0	0	0	0	113.4	D456 G458 V462 Y505	D456-G460 PolarHBondContact OD1-N 3.06Å; D456-G460 VanDerWaalsContact OD2-CA 3.23Å; D456-G460 WeakPolarHBondContact OD2-CA 3.29Å; G458-G460 VanDerWaalsContact C-N 3.27Å; G460-V462 PolarHBondContact O-N 2.92Å; G460-Y505 VanDerWaalsContact O-CD1 3.25Å; G460-Y505 WeakPolarHBondContact O-CD1 3.27Å; G460-Y505 WeakPolarHBondContact O-CE1 3.35Å
461	I	93.6	Very high	92.6	Very high	87 Å²	87	38 Å²	38	45%	0.446	23%	0.228	S	C	.	.			trans	-69.4	126.1	-177.2	-55.5	172.7	0	0	0	110.6	F441 Y455 D456	F441-I461 HydrophobicContact CE1-CG1 4.25Å; F441-I461 HydrophobicContact CZ-CD1 4.41Å; F441-I461 HydrophobicContact CZ-CG1 4.19Å; F441-I461 HydrophobicContact CZ-CG2 4.2Å; Y455-I461 WeakPolarHBondContact O-CA 3.33Å; D456-I461 HydrophobicContact CB-CG1 4.28Å; D456-I461 PolarHBondContact OD2-N 3.08Å
462	V	94.1	Very high	92.2	Very high	14 Å²	14	40.5 Å²	40.5	9%	0.085	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.5	170.2	-178.6	0	0	0	0	109	T454 Y455 G460 I464 V501 Y505	T454-V462 VanDerWaalsContact CA-O 3.31Å; T454-V462 WeakPolarHBondContact CA-O 3.48Å; Y455-V462 HydrophobicContact CD1-CB 3.89Å; Y455-V462 HydrophobicContact CD1-CG1 4.24Å; Y455-V462 HydrophobicContact CE1-CB 3.43Å; Y455-V462 VanDerWaalsContact CE1-CB 3.43Å; Y455-V462 HydrophobicContact CE1-CG1 3.46Å; Y455-V462 VanDerWaalsContact CE1-CG1 3.46Å; Y455-V462 HydrophobicContact CE1-CG2 4.04Å; Y455-V462 HydrophobicContact CE2-CB 4.15Å; Y455-V462 HydrophobicContact CE2-CG2 3.95Å; Y455-V462 HydrophobicContact CG-CB 4.41Å; Y455-V462 PolarHBondContact N-O 3.13Å; Y455-V462 PolarHBondContact O-N 3.16Å; G460-V462 PolarHBondContact O-N 2.92Å; V462-I464 HydrophobicContact CG1-CG1 4.38Å; V462-V501 HydrophobicContact CG1-CG1 4.47Å; V462-V501 HydrophobicContact CG1-CG2 4.05Å; V462-V501 HydrophobicContact CG2-CG1 3.96Å; V462-Y505 HydrophobicContact CG2-CD1 3.51Å; V462-Y505 HydrophobicContact CG2-CD2 4.46Å; V462-Y505 HydrophobicContact CG2-CE1 3.49Å; V462-Y505 VanDerWaalsContact CG2-CE1 3.49Å; V462-Y505 HydrophobicContact CG2-CE2 4.44Å; V462-Y505 HydrophobicContact CG2-CG 4.02Å
463	H	94.3	Very high	91.8	Very high	138 Å²	138	42.6 Å²	42.6	64%	0.639	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.4	176.3	-63.8	-97	0	0	0	110.2	T454	T454-H463 HydrophobicContact CG2-CB 4.41Å; T454-H463 VanDerWaalsContact CG2-ND1 3.25Å; T454-H463 WeakPolarHBondContact CG2-ND1 3.37Å
464	I	93.2	Very high	91.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	174.2	-75.8	173.7	0	0	0	108.5	L453 Y455 V462 I488 L490 Y499	L453-I464 HydrophobicContact CB-CB 4.09Å; L453-I464 HydrophobicContact CB-CG2 4.11Å; L453-I464 HydrophobicContact CD2-CD1 4.33Å; L453-I464 HydrophobicContact CD2-CG2 4.46Å; L453-I464 PolarHBondContact N-O 2.99Å; L453-I464 WeakPolarHBondContact O-CA 3.37Å; L453-I464 PolarHBondContact O-N 2.92Å; L453-I464 VanDerWaalsContact O-O 3.09Å; Y455-I464 HydrophobicContact CE1-CD1 4.03Å; V462-I464 HydrophobicContact CG1-CG1 4.38Å; I464-I488 HydrophobicContact CD1-CB 3.75Å; I464-I488 HydrophobicContact CD1-CD1 3.63Å; I464-I488 HydrophobicContact CD1-CG1 4.27Å; I464-I488 HydrophobicContact CD1-CG2 3.64Å; I464-L490 HydrophobicContact CG2-CB 4.32Å; I464-L490 HydrophobicContact CG2-CD2 3.76Å; I464-Y499 HydrophobicContact CD1-CD2 4.22Å; I464-Y499 HydrophobicContact CD1-CG 4.05Å; I464-Y499 HydrophobicContact CG1-CD1 4.16Å; I464-Y499 HydrophobicContact CG1-CD2 4.12Å; I464-Y499 HydrophobicContact CG1-CG 3.94Å; I464-Y499 HydrophobicContact CG2-CD2 3.8Å; I464-Y499 HydrophobicContact CG2-CE2 3.66Å; I464-Y499 HydrophobicContact CG2-CG 4.47Å
465	I	91.1	Very high	91.3	Very high	99 Å²	99	46.4 Å²	46.4	51%	0.508	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.8	172.8	-55.6	175.6	0	0	0	105.8	Y499	I465-Y499 PolarHBondContact O-OH 2.87Å
466	G	88.4	Confident	91.3	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	28%	0.275	C	S	.	.			trans	-71.1	176.2	174.3	0	0	0	0	0	112.8	V451	V451-G466 VanDerWaalsContact O-CA 3.3Å; V451-G466 WeakPolarHBondContact O-CA 3.35Å; V451-G466 PolarHBondContact O-N 2.94Å
467	P	90.4	Very high	91.4	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	27%	0.269	C	S	.	.			trans	-40.1	144.7	163.5	-29.5	33.4	0	0	0	112.9	L469 V492 I495	P467-L469 PolarHBondContact O-N 2.9Å; P467-V492 HydrophobicContact CB-CB 4.48Å; P467-V492 HydrophobicContact CB-CG2 4.49Å; P467-V492 HydrophobicContact CG-CB 4.27Å; P467-V492 HydrophobicContact CG-CG2 4.09Å; P467-I495 HydrophobicContact CB-CB 4.07Å; P467-I495 HydrophobicContact CB-CG2 3.81Å; P467-I495 HydrophobicContact CG-CB 4.31Å; P467-I495 HydrophobicContact CG-CG2 4.19Å; P467-I495 WeakPolarHBondContact CG-O 3.34Å
468	N	89.5	Confident	91.5	Very high	128 Å²	128	45.8 Å²	45.8	68%	0.684	27%	0.269	S	S	*	.	S	Bend	trans	-76.3	53	-178	-174.8	60.3	0	0	0	112.6	R450	R450-N468 PolarHBondContact NH1-OD1 2.82Å; R450-N468 PolarHBondContact NH2-OD1 3.36Å
469	L	89.3	Confident	91.8	Very high	47 Å²	47	44.4 Å²	44.4	25%	0.246	26%	0.255	C	S	.	.			trans	-113.9	134.9	179.6	-171.9	65.6	0	0	0	109.5	P467 V492 D493	P467-L469 PolarHBondContact O-N 2.9Å; L469-V492 HydrophobicContact CD2-CB 4.4Å; L469-V492 HydrophobicContact CD2-CG1 3.86Å; L469-D493 WeakPolarHBondContact CD2-OD2 3.41Å
470	S	90.5	Very high	92.2	Very high	48 Å²	48	42.7 Å²	42.7	34%	0.336	23%	0.228	S	C	.	.			trans	-87.1	127.2	172.8	-146.3	0	0	0	0	108.1	D449 N472	D449-S470 WeakPolarHBondContact CB-OG 3.45Å; D449-S470 WeakPolarHBondContact O-CA 3.45Å; S470-N472 PolarHBondContact OG-OD1 2.92Å
471	V	91.4	Very high	92.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.218	C	C	.	.			trans	-105.3	16.7	-176	-61.7	0	0	0	0	113.6	I408 I410 L446 D449 V451 H477 V492	I408-V471 HydrophobicContact CD1-CB 4.17Å; I408-V471 HydrophobicContact CD1-CG2 3.91Å; I410-V471 HydrophobicContact CD1-CG2 4.17Å; I410-V471 WeakPolarHBondContact CD1-O 3.39Å; I410-V471 WeakPolarHBondContact CG1-O 3.44Å; L446-V471 HydrophobicContact CD1-CG2 4.27Å; L446-V471 HydrophobicContact CD2-CG2 3.5Å; L446-V471 VanDerWaalsContact CD2-CG2 3.5Å; D449-V471 WeakPolarHBondContact O-CG2 3.45Å; D449-V471 PolarHBondContact O-N 3.38Å; V451-V471 HydrophobicContact CG2-CG1 4.14Å; V451-V471 HydrophobicContact CG2-CG2 4.21Å; V471-H477 HydrophobicContact CB-CB 4.41Å; V471-H477 HydrophobicContact CG1-CB 4.04Å; V471-V492 HydrophobicContact CG1-CG1 3.85Å
472	N	87.1	Confident	92.5	Very high	54 Å²	54	40.1 Å²	40.1	29%	0.289	21%	0.207	S	C	.	.			trans	-106.5	11.5	-176.9	72.5	-30.8	0	0	0	113.8	I410 D449 S470 G474	I410-N472 HydrophobicContact CD1-CB 4.31Å; D449-N472 HydrophobicContact CB-CB 3.88Å; D449-N472 VanDerWaalsContact CB-CG 3.44Å; D449-N472 WeakPolarHBondContact CB-ND2 3.18Å; D449-N472 VanDerWaalsContact CG-CG 3.41Å; D449-N472 WeakPolarHBondContact OD1-CB 3.49Å; D449-N472 PolarHBondContact OD1-ND2 3.08Å; D449-N472 PolarHBondContact OD2-ND2 2.98Å; S470-N472 PolarHBondContact OG-OD1 2.92Å; N472-G474 PolarHBondContact O-N 3.19Å
473	D	87.6	Confident	92.5	Very high	85 Å²	85	39.8 Å²	39.8	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-74.7	-7.4	-178	66.1	8.2	0	0	0	113.6	F475 H477	D473-F475 HydrophobicContact CB-CD2 4.34Å; D473-F475 WeakPolarHBondContact OD1-CB 3.29Å; D473-F475 PolarHBondContact OD1-N 2.78Å; D473-H477 IonicContact OD1-NE2 3.48Å; D473-H477 PolarHBondContact OD1-NE2 2.81Å; D473-H477 IonicContact OD2-NE2 3.26Å
474	G	87.3	Confident	92.4	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	18%	0.177	C	C	.	.	S	Bend	trans	92.2	-3.5	179.5	0	0	0	0	0	114.1	Q409 N472	Q409-G474 WeakPolarHBondContact CG-O 3.47Å; Q409-G474 PolarHBondContact NE2-O 2.93Å; N472-G474 PolarHBondContact O-N 3.19Å
475	F	93.4	Very high	92.4	Very high	84 Å²	84	34.7 Å²	34.7	37%	0.368	18%	0.182	S	C	.	.	S	Bend	trans	-84.1	170.5	170.3	-64	-74.8	0	0	0	111.6	D473 L573 A575	D473-F475 HydrophobicContact CB-CD2 4.34Å; D473-F475 WeakPolarHBondContact OD1-CB 3.29Å; D473-F475 PolarHBondContact OD1-N 2.78Å; F475-L573 CarbonylContact C-O 3.6Å; F475-L573 VanDerWaalsContact CA-O 3.26Å; F475-L573 WeakPolarHBondContact CA-O 3.28Å; F475-L573 WeakPolarHBondContact CB-O 3.37Å; F475-L573 HydrophobicContact CD1-CB 4.19Å; F475-L573 WeakPolarHBondContact CD1-O 3.46Å; F475-A575 HydrophobicContact CB-CB 4.16Å; F475-A575 HydrophobicContact CD1-CB 4.1Å; F475-A575 HydrophobicContact CD2-CB 4.31Å; F475-A575 HydrophobicContact CG-CB 3.94Å
476	Y	95.2	Very high	92.4	Very high	11 Å²	11	30.9 Å²	30.9	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.3	178.1	-178	-88.3	0	0	0	111.2	S346 F347 G407 I408 Q409 T534 F570 P572 L573 L574	S346-Y476 PolarHBondContact OG-OH 2.59Å; F347-Y476 HydrophobicContact CE1-CE1 4.3Å; F347-Y476 AromaticContact CE2-CE1 3.87Å; F347-Y476 HydrophobicContact CE2-CE1 3.87Å; F347-Y476 HydrophobicContact CZ-CD1 4.2Å; F347-Y476 AromaticContact CZ-CE1 3.45Å; F347-Y476 HydrophobicContact CZ-CE1 3.45Å; F347-Y476 VanDerWaalsContact CZ-CE1 3.45Å; F347-Y476 AromaticContact CZ-CZ 3.91Å; G407-Y476 WeakPolarHBondContact CA-OH 3.41Å; I408-Y476 WeakPolarHBondContact O-CA 3.43Å; Q409-Y476 HydrophobicContact CB-CD2 4.41Å; Y476-T534 HydrophobicContact CE2-CG2 3.42Å; Y476-T534 VanDerWaalsContact CE2-CG2 3.42Å; Y476-T534 WeakPolarHBondContact OH-CG2 3.26Å; Y476-F570 HydrophobicContact CD2-CE1 4.25Å; Y476-F570 HydrophobicContact CD2-CZ 4.43Å; Y476-F570 HydrophobicContact CE2-CE1 4.19Å; Y476-P572 HydrophobicContact CD1-CB 4.39Å; Y476-P572 HydrophobicContact CD2-CB 3.31Å; Y476-P572 HydrophobicContact CE2-CB 3.83Å; Y476-P572 HydrophobicContact CG-CB 3.6Å; Y476-L573 WeakPolarHBondContact CB-O 3.26Å; Y476-L573 PolarHBondContact N-O 3.1Å; Y476-L574 HydrophobicContact CD1-CD2 3.8Å; Y476-L574 HydrophobicContact CG-CD2 4.18Å
477	H	95.8	Very high	92.7	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.7	173.8	-61.4	-78	0	0	0	111.8	G407 I408 V471 D473 V492 D493	G407-H477 CarbonylContact C-O 3.58Å; G407-H477 WeakPolarHBondContact CA-O 3.28Å; I408-H477 HydrophobicContact CG1-CB 4.21Å; I408-H477 PolarHBondContact N-O 2.97Å; I408-H477 PolarHBondContact O-N 3.33Å; V471-H477 HydrophobicContact CB-CB 4.41Å; V471-H477 HydrophobicContact CG1-CB 4.04Å; D473-H477 IonicContact OD1-NE2 3.48Å; D473-H477 PolarHBondContact OD1-NE2 2.81Å; D473-H477 IonicContact OD2-NE2 3.26Å; H477-V492 HydrophobicContact CB-CG1 4.31Å; H477-D493 WeakPolarHBondContact CA-OD1 3.33Å; H477-D493 IonicContact CE1-OD2 2.9Å; H477-D493 IonicContact CG-OD2 3.19Å; H477-D493 IonicContact ND1-OD1 2.79Å; H477-D493 IonicContact ND1-OD2 3.2Å; H477-D493 PolarHBondContact ND1-OD2 2.78Å
478	R	96.3	Very high	93	Very high	14 Å²	14	35.8 Å²	35.8	5%	0.053	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.2	170.9	178.5	-176.8	63.8	-178	0.4	109.4	N327 D328 T345 R480 V492 D493 N494	N327-R478 PolarHBondContact O-NH1 2.84Å; D328-R478 IonicContact OD2-CZ 3.26Å; D328-R478 IonicContact OD2-NH1 2.75Å; D328-R478 PolarHBondContact OD2-NH1 3.34Å; D328-R478 IonicContact OD2-NH2 3.59Å; D328-R478 PolarHBondContact OD2-NH2 3.12Å; T345-R478 WeakPolarHBondContact O-CD 3.49Å; R478-R480 HydrophobicContact CG-CG 4.18Å; R478-R480 VanDerWaalsContact CZ-CZ 3.47Å; R478-V492 CarbonylContact O-C 3.55Å; R478-V492 WeakPolarHBondContact O-CA 3.43Å; R478-D493 PolarHBondContact N-OD1 2.76Å; R478-D493 PolarHBondContact NE-O 3.23Å; R478-D493 PolarHBondContact NH2-O 3.22Å; R478-D493 PolarHBondContact O-N 3.23Å; R478-N494 PolarHBondContact NH2-OD1 3.05Å
479	I	97.5	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.7	172.5	-55.9	168.9	0	0	0	108.2	F404 I405 L406 I408 L429 L444 V451 L490 E491 V492	F404-I479 HydrophobicContact CE2-CG2 4.44Å; I405-I479 WeakPolarHBondContact CA-O 3.34Å; L406-I479 HydrophobicContact CD2-CB 3.92Å; L406-I479 HydrophobicContact CD2-CG2 4.24Å; L406-I479 HydrophobicContact CG-CB 4.3Å; L406-I479 PolarHBondContact N-O 3.49Å; L406-I479 PolarHBondContact O-N 2.89Å; I408-I479 HydrophobicContact CD1-CD1 3.75Å; I408-I479 HydrophobicContact CG1-CD1 4.13Å; L429-I479 HydrophobicContact CD1-CD1 3.55Å; L444-I479 HydrophobicContact CD2-CG2 4.14Å; V451-I479 HydrophobicContact CG1-CD1 4.12Å; V451-I479 HydrophobicContact CG1-CG2 4.06Å; V451-I479 HydrophobicContact CG2-CD1 3.54Å; V451-I479 HydrophobicContact CG2-CG1 4.02Å; I479-L490 HydrophobicContact CG2-CD1 4.12Å; I479-E491 WeakPolarHBondContact CA-O 3.47Å; I479-V492 HydrophobicContact CG1-CG1 4.42Å; I479-V492 HydrophobicContact CG1-CG2 4.46Å
480	R	97.4	Very high	93.6	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.109	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.9	171.4	-57.9	-164.5	-74.8	-144.2	-8.3	110	D328 F404 I405 R478 E491	D328-R480 IonicContact OD2-CZ 2.81Å; D328-R480 IonicContact OD2-NH1 3.83Å; D328-R480 PolarHBondContact OD2-NH1 2.69Å; D328-R480 IonicContact OD2-NH2 3.19Å; D328-R480 PolarHBondContact OD2-NH2 2.77Å; F404-R480 CarbonylContact O-C 3.57Å; F404-R480 WeakPolarHBondContact O-CA 3.3Å; I405-R480 HydrophobicContact CB-CG 4.49Å; I405-R480 HydrophobicContact CG1-CB 4.26Å; I405-R480 HydrophobicContact CG1-CG 3.83Å; I405-R480 HydrophobicContact CG2-CG 4.13Å; R478-R480 HydrophobicContact CG-CG 4.18Å; R478-R480 VanDerWaalsContact CZ-CZ 3.47Å; R480-E491 HydrophobicContact CB-CB 4.29Å; R480-E491 IonicContact CZ-OE1 3.7Å; R480-E491 IonicContact CZ-OE2 2.71Å; R480-E491 VanDerWaalsContact CZ-OE2 3.28Å; R480-E491 PolarHBondContact N-O 2.95Å; R480-E491 IonicContact NE-OE1 3.45Å; R480-E491 IonicContact NE-OE2 3.47Å; R480-E491 PolarHBondContact NE-OE2 2.77Å; R480-E491 VanDerWaalsContact NH2-CD 3.28Å; R480-E491 IonicContact NH2-OE1 3.67Å; R480-E491 PolarHBondContact NH2-OE1 3.5Å; R480-E491 IonicContact NH2-OE2 2.65Å; R480-E491 PolarHBondContact NH2-OE2 2.87Å; R480-E491 PolarHBondContact O-N 3.21Å
481	G	96.7	Very high	93.9	Very high	5 Å²	5	28 Å²	28	5%	0.052	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.7	173.5	0	0	0	0	0	111	E403 F404 I489	E403-G481 WeakPolarHBondContact CA-O 3.46Å; F404-G481 PolarHBondContact N-O 3.49Å; F404-G481 PolarHBondContact O-N 3.17Å; G481-I489 WeakPolarHBondContact CA-O 3.49Å
482	Y	95.3	Very high	94.1	Very high	54 Å²	54	28 Å²	28	21%	0.212	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.3	-179	-175	-93.1	0	0	0	110.5	Q401 D402 E403 V484 I488 I489 T605	Q401-Y482 VanDerWaalsContact CD-OH 3.22Å; Q401-Y482 HydrophobicContact CG-CE2 4.21Å; Q401-Y482 PolarHBondContact NE2-OH 2.95Å; Q401-Y482 PolarHBondContact OE1-OH 2.79Å; D402-Y482 CarbonylContact O-C 3.51Å; D402-Y482 WeakPolarHBondContact O-CA 3.19Å; E403-Y482 HydrophobicContact CB-CD2 3.99Å; Y482-V484 HydrophobicContact CD1-CG2 4.47Å; Y482-V484 HydrophobicContact CE1-CB 4.5Å; Y482-V484 HydrophobicContact CE1-CG2 3.49Å; Y482-V484 VanDerWaalsContact CE1-CG2 3.49Å; Y482-I488 CarbonylContact O-C 3.57Å; Y482-I488 VanDerWaalsContact O-CA 3.3Å; Y482-I488 WeakPolarHBondContact O-CA 3.45Å; Y482-I489 PolarHBondContact N-O 2.89Å; Y482-I489 PolarHBondContact O-N 2.81Å; Y482-T605 HydrophobicContact CD1-CG2 4.27Å; Y482-T605 HydrophobicContact CE1-CG2 3.55Å; Y482-T605 WeakPolarHBondContact CE1-OG1 3.47Å; Y482-T605 PolarHBondContact OH-OG1 3.23Å
483	R	95	Very high	94.4	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.6	179.9	-176.5	-178	78.6	82.5	-1.7	110.1	T399 R400 Q401 D402 D485 R487 I488 K507	T399-R483 PolarHBondContact O-NH2 2.88Å; R400-R483 PolarHBondContact O-NH1 3.09Å; Q401-R483 CarbonylContact C-O 3.57Å; Q401-R483 WeakPolarHBondContact CA-O 3.44Å; Q401-R483 WeakPolarHBondContact CG-O 3.47Å; D402-R483 HydrophobicContact CB-CB 4.25Å; D402-R483 PolarHBondContact N-O 2.69Å; D402-R483 PolarHBondContact O-N 3.13Å; D402-R483 IonicContact OD2-CZ 2.78Å; D402-R483 IonicContact OD2-NE 2.79Å; D402-R483 PolarHBondContact OD2-NE 3.22Å; D402-R483 IonicContact OD2-NH2 2.82Å; D402-R483 PolarHBondContact OD2-NH2 3.03Å; R483-D485 PolarHBondContact NH1-O 3.41Å; R483-R487 CarbonylContact C-O 3.56Å; R483-R487 VanDerWaalsContact CA-O 3.3Å; R483-R487 WeakPolarHBondContact CA-O 3.46Å; R483-I488 HydrophobicContact CB-CG1 3.83Å; R483-I488 HydrophobicContact CG-CD1 4.12Å; R483-I488 HydrophobicContact CG-CG1 3.62Å; R483-K507 PolarHBondContact NH1-O 2.74Å
484	V	92.3	Very high	94.5	Very high	12 Å²	12	29.4 Å²	29.4	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	120.7	161.8	169.1	0	0	0	0	108.7	Q401 Y482 H486 R487 T605 Y607	Q401-V484 HydrophobicContact CB-CG2 4.07Å; Q401-V484 HydrophobicContact CG-CG2 3.81Å; Y482-V484 HydrophobicContact CD1-CG2 4.47Å; Y482-V484 HydrophobicContact CE1-CB 4.5Å; Y482-V484 HydrophobicContact CE1-CG2 3.49Å; Y482-V484 VanDerWaalsContact CE1-CG2 3.49Å; V484-H486 PolarHBondContact O-N 2.75Å; V484-R487 PolarHBondContact N-O 2.83Å; V484-R487 PolarHBondContact O-N 2.83Å; V484-T605 HydrophobicContact CG2-CG2 4.3Å; V484-Y607 HydrophobicContact CG1-CE1 4.34Å
485	D	92	Very high	94.8	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-104.6	-173.1	-78.2	-15.5	0	0	0	112.1	R400 R483 K507	R400-D485 IonicContact CZ-OD1 2.77Å; R400-D485 VanDerWaalsContact CZ-OD1 3.23Å; R400-D485 IonicContact CZ-OD2 3.05Å; R400-D485 IonicContact NE-OD1 3.78Å; R400-D485 PolarHBondContact NE-OD1 3.28Å; R400-D485 IonicContact NH2-OD1 3.77Å; R400-D485 PolarHBondContact NH2-OD1 2.93Å; R400-D485 IonicContact NH2-OD2 2.87Å; R400-D485 PolarHBondContact NH2-OD2 3.08Å; R400-D485 PolarHBondContact O-N 2.81Å; R483-D485 PolarHBondContact NH1-O 3.41Å; D485-K507 HydrophobicContact CB-CB 4.39Å; D485-K507 HydrophobicContact CB-CD 4.03Å; D485-K507 HydrophobicContact CB-CG 3.98Å; D485-K507 VanDerWaalsContact CG-CD 3.5Å; D485-K507 WeakPolarHBondContact OD2-CD 3.44Å; D485-K507 VanDerWaalsContact OD2-CE 3.28Å; D485-K507 WeakPolarHBondContact OD2-CE 3.32Å; D485-K507 IonicContact OD2-NZ 3.69Å; D485-K507 PolarHBondContact OD2-NZ 3.05Å
486	H	92.7	Very high	94.8	Very high	20 Å²	20	36 Å²	36	9%	0.093	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-0.3	-176.4	-64.8	125.9	0	0	0	113.6	V484 V501 Y505 K507	V484-H486 PolarHBondContact O-N 2.75Å; H486-V501 WeakPolarHBondContact O-CB 3.42Å; H486-V501 PolarHBondContact O-N 2.82Å; H486-Y505 PolarHBondContact NE2-O 2.77Å; H486-K507 WeakPolarHBondContact CE1-CE 3.3Å; H486-K507 WeakPolarHBondContact CE1-CG 3.49Å; H486-K507 WeakPolarHBondContact ND1-CE 3.36Å
487	R	94.5	Very high	94.7	Very high	103 Å²	103	39.1 Å²	39.1	39%	0.389	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.1	-179.5	-68.3	178.2	176.3	-171.5	-8.6	110.1	R483 V484 Y499 E500	R483-R487 CarbonylContact C-O 3.56Å; R483-R487 VanDerWaalsContact CA-O 3.3Å; R483-R487 WeakPolarHBondContact CA-O 3.46Å; V484-R487 PolarHBondContact N-O 2.83Å; V484-R487 PolarHBondContact O-N 2.83Å; R487-Y499 CarbonylContact C-O 3.56Å; R487-Y499 WeakPolarHBondContact CA-O 3.17Å; R487-E500 HydrophobicContact CG-CB 4.38Å; R487-E500 HydrophobicContact CG-CG 4.1Å; R487-E500 IonicContact CZ-OE1 3.66Å; R487-E500 IonicContact NE-OE1 3.83Å; R487-E500 PolarHBondContact NE-OE1 2.87Å; R487-E500 IonicContact NH2-OE1 3.74Å; R487-E500 PolarHBondContact NH2-OE1 2.95Å; R487-E500 IonicContact NH2-OE2 2.72Å
488	I	95.2	Very high	94.5	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.2	174.9	-69.6	168.7	0	0	0	109.8	L453 Y455 I464 Y482 R483 Y499	L453-I488 HydrophobicContact CD2-CG2 3.99Å; Y455-I488 HydrophobicContact CD1-CD1 3.77Å; Y455-I488 HydrophobicContact CE1-CD1 3.13Å; Y455-I488 HydrophobicContact CE2-CD1 4.46Å; I464-I488 HydrophobicContact CD1-CB 3.75Å; I464-I488 HydrophobicContact CD1-CD1 3.63Å; I464-I488 HydrophobicContact CD1-CG1 4.27Å; I464-I488 HydrophobicContact CD1-CG2 3.64Å; Y482-I488 CarbonylContact O-C 3.57Å; Y482-I488 VanDerWaalsContact O-CA 3.3Å; Y482-I488 WeakPolarHBondContact O-CA 3.45Å; R483-I488 HydrophobicContact CB-CG1 3.83Å; R483-I488 HydrophobicContact CG-CD1 4.12Å; R483-I488 HydrophobicContact CG-CG1 3.62Å; I488-Y499 PolarHBondContact N-O 2.73Å; I488-Y499 PolarHBondContact O-N 2.96Å
489	I	95.6	Very high	94.4	Very high	37 Å²	37	47 Å²	47	19%	0.19	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.3	166.6	-47.3	-176	0	0	0	106.5	G481 Y482 R496 Q497 M498	G481-I489 WeakPolarHBondContact CA-O 3.49Å; Y482-I489 PolarHBondContact N-O 2.89Å; Y482-I489 PolarHBondContact O-N 2.81Å; I489-R496 HydrophobicContact CG2-CB 4.23Å; I489-Q497 WeakPolarHBondContact CA-O 3.46Å; I489-M498 HydrophobicContact CD1-CE 4.06Å; I489-M498 HydrophobicContact CG1-CE 4.25Å; I489-M498 HydrophobicContact CG1-CG 4.16Å; I489-M498 HydrophobicContact CG2-CG 4.28Å
490	L	96.8	Very high	94.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.7	170.6	180	60.1	0	0	0	108.3	F404 L444 V451 L453 I464 I479 Q497	F404-L490 HydrophobicContact CE2-CD1 4.24Å; F404-L490 HydrophobicContact CZ-CD1 4.27Å; L444-L490 HydrophobicContact CD1-CD1 4.15Å; V451-L490 HydrophobicContact CG1-CD1 4.39Å; V451-L490 HydrophobicContact CG1-CD2 4.39Å; L453-L490 HydrophobicContact CB-CD2 3.99Å; I464-L490 HydrophobicContact CG2-CB 4.32Å; I464-L490 HydrophobicContact CG2-CD2 3.76Å; I479-L490 HydrophobicContact CG2-CD1 4.12Å; L490-Q497 PolarHBondContact N-O 3.43Å; L490-Q497 PolarHBondContact O-N 2.93Å
491	E	96	Very high	93.7	Very high	24 Å²	24	53 Å²	53	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140	-174	179.7	-176.5	-166.1	0	0	110.2	I479 R480 I495 R496	I479-E491 WeakPolarHBondContact CA-O 3.47Å; R480-E491 HydrophobicContact CB-CB 4.29Å; R480-E491 IonicContact CZ-OE1 3.7Å; R480-E491 IonicContact CZ-OE2 2.71Å; R480-E491 VanDerWaalsContact CZ-OE2 3.28Å; R480-E491 PolarHBondContact N-O 2.95Å; R480-E491 IonicContact NE-OE1 3.45Å; R480-E491 IonicContact NE-OE2 3.47Å; R480-E491 PolarHBondContact NE-OE2 2.77Å; R480-E491 VanDerWaalsContact NH2-CD 3.28Å; R480-E491 IonicContact NH2-OE1 3.67Å; R480-E491 PolarHBondContact NH2-OE1 3.5Å; R480-E491 IonicContact NH2-OE2 2.65Å; R480-E491 PolarHBondContact NH2-OE2 2.87Å; R480-E491 PolarHBondContact O-N 3.21Å; E491-I495 VanDerWaalsContact CA-O 3.31Å; E491-I495 WeakPolarHBondContact CA-O 3.37Å; E491-R496 HydrophobicContact CB-CB 4Å; E491-R496 HydrophobicContact CG-CB 4.03Å
492	V	95.7	Very high	93.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.5	169.2	-169.5	0	0	0	0	107.7	V451 P467 L469 V471 H477 R478 I479 N494 I495	V451-V492 HydrophobicContact CB-CG2 3.97Å; V451-V492 HydrophobicContact CG1-CG2 4.41Å; V451-V492 HydrophobicContact CG2-CG2 3.75Å; P467-V492 HydrophobicContact CB-CB 4.48Å; P467-V492 HydrophobicContact CB-CG2 4.49Å; P467-V492 HydrophobicContact CG-CB 4.27Å; P467-V492 HydrophobicContact CG-CG2 4.09Å; L469-V492 HydrophobicContact CD2-CB 4.4Å; L469-V492 HydrophobicContact CD2-CG1 3.86Å; V471-V492 HydrophobicContact CG1-CG1 3.85Å; H477-V492 HydrophobicContact CB-CG1 4.31Å; R478-V492 CarbonylContact O-C 3.55Å; R478-V492 WeakPolarHBondContact O-CA 3.43Å; I479-V492 HydrophobicContact CG1-CG1 4.42Å; I479-V492 HydrophobicContact CG1-CG2 4.46Å; V492-N494 PolarHBondContact O-N 3.45Å; V492-I495 PolarHBondContact N-O 3.22Å; V492-I495 PolarHBondContact O-N 3.03Å
493	D	93.7	Very high	92.9	Very high	43 Å²	43	64.3 Å²	64.3	23%	0.23	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	-95.6	-166.1	-57.8	-39.5	0	0	0	112.6	L469 H477 R478	L469-D493 WeakPolarHBondContact CD2-OD2 3.41Å; H477-D493 WeakPolarHBondContact CA-OD1 3.33Å; H477-D493 IonicContact CE1-OD2 2.9Å; H477-D493 IonicContact CG-OD2 3.19Å; H477-D493 IonicContact ND1-OD1 2.79Å; H477-D493 IonicContact ND1-OD2 3.2Å; H477-D493 PolarHBondContact ND1-OD2 2.78Å; R478-D493 PolarHBondContact N-OD1 2.76Å; R478-D493 PolarHBondContact NE-O 3.23Å; R478-D493 PolarHBondContact NH2-O 3.22Å; R478-D493 PolarHBondContact O-N 3.23Å
494	N	90.2	Very high	92.7	Very high	125 Å²	125	68.4 Å²	68.4	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	3	178.1	-60.5	-26.4	0	0	0	112.1	R478 V492	R478-N494 PolarHBondContact NH2-OD1 3.05Å; V492-N494 PolarHBondContact O-N 3.45Å
495	I	94	Very high	92.6	Very high	75 Å²	75	71.2 Å²	71.2	39%	0.385	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.3	179.7	-50.5	177.6	0	0	0	107.1	P467 E491 V492	P467-I495 HydrophobicContact CB-CB 4.07Å; P467-I495 HydrophobicContact CB-CG2 3.81Å; P467-I495 HydrophobicContact CG-CB 4.31Å; P467-I495 HydrophobicContact CG-CG2 4.19Å; P467-I495 WeakPolarHBondContact CG-O 3.34Å; E491-I495 VanDerWaalsContact CA-O 3.31Å; E491-I495 WeakPolarHBondContact CA-O 3.37Å; V492-I495 PolarHBondContact N-O 3.22Å; V492-I495 PolarHBondContact O-N 3.03Å
496	R	92	Very high	92.5	Very high	162 Å²	162	71.2 Å²	71.2	61%	0.611	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.6	178.2	72.4	-176.7	-171.7	-178.6	1.7	111.9	I489 E491	I489-R496 HydrophobicContact CG2-CB 4.23Å; E491-R496 HydrophobicContact CB-CB 4Å; E491-R496 HydrophobicContact CG-CB 4.03Å
497	Q	93.1	Very high	92.4	Very high	76 Å²	76	73.6 Å²	73.6	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.1	172.4	-163.3	163.3	-5.9	0	0	110.1	I489 L490 Y499	I489-Q497 WeakPolarHBondContact CA-O 3.46Å; L490-Q497 PolarHBondContact N-O 3.43Å; L490-Q497 PolarHBondContact O-N 2.93Å; Q497-Y499 HydrophobicContact CB-CE2 4.15Å; Q497-Y499 HydrophobicContact CG-CD2 4.45Å; Q497-Y499 HydrophobicContact CG-CE2 3.66Å; Q497-Y499 PolarHBondContact NE2-OH 3.06Å; Q497-Y499 VanDerWaalsContact NE2-OH 3.1Å
498	M	93	Very high	92.4	Very high	121 Å²	121	70.6 Å²	70.6	60%	0.596	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	140	-176.2	-61.7	-176.4	68.3	0	0	110.9	I489	I489-M498 HydrophobicContact CD1-CE 4.06Å; I489-M498 HydrophobicContact CG1-CE 4.25Å; I489-M498 HydrophobicContact CG1-CG 4.16Å; I489-M498 HydrophobicContact CG2-CG 4.28Å
499	Y	93.2	Very high	92.4	Very high	63 Å²	63	70.2 Å²	70.2	25%	0.247	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.1	-178.7	-73.7	-86.8	0	0	0	109.7	I464 I465 R487 I488 Q497	I464-Y499 HydrophobicContact CD1-CD2 4.22Å; I464-Y499 HydrophobicContact CD1-CG 4.05Å; I464-Y499 HydrophobicContact CG1-CD1 4.16Å; I464-Y499 HydrophobicContact CG1-CD2 4.12Å; I464-Y499 HydrophobicContact CG1-CG 3.94Å; I464-Y499 HydrophobicContact CG2-CD2 3.8Å; I464-Y499 HydrophobicContact CG2-CE2 3.66Å; I464-Y499 HydrophobicContact CG2-CG 4.47Å; I465-Y499 PolarHBondContact O-OH 2.87Å; R487-Y499 CarbonylContact C-O 3.56Å; R487-Y499 WeakPolarHBondContact CA-O 3.17Å; I488-Y499 PolarHBondContact N-O 2.73Å; I488-Y499 PolarHBondContact O-N 2.96Å; Q497-Y499 HydrophobicContact CB-CE2 4.15Å; Q497-Y499 HydrophobicContact CG-CD2 4.45Å; Q497-Y499 HydrophobicContact CG-CE2 3.66Å; Q497-Y499 PolarHBondContact NE2-OH 3.06Å; Q497-Y499 VanDerWaalsContact NE2-OH 3.1Å
500	E	93.1	Very high	92.3	Very high	135 Å²	135	71 Å²	71	63%	0.631	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.2	168.6	-175.4	163.8	-133.9	0	0	108.6	R487	R487-E500 HydrophobicContact CG-CB 4.38Å; R487-E500 HydrophobicContact CG-CG 4.1Å; R487-E500 IonicContact CZ-OE1 3.66Å; R487-E500 IonicContact NE-OE1 3.83Å; R487-E500 PolarHBondContact NE-OE1 2.87Å; R487-E500 IonicContact NH2-OE1 3.74Å; R487-E500 PolarHBondContact NH2-OE1 2.95Å; R487-E500 IonicContact NH2-OE2 2.72Å
501	V	88.8	Confident	92.2	Very high	22 Å²	22	74.7 Å²	74.7	13%	0.133	36%	0.363	C	S	.	.			trans	-104.4	151.8	-168.6	176.8	0	0	0	0	110.1	Y455 V462 H486 Y505	Y455-V501 WeakPolarHBondContact OH-CG2 3.47Å; V462-V501 HydrophobicContact CG1-CG1 4.47Å; V462-V501 HydrophobicContact CG1-CG2 4.05Å; V462-V501 HydrophobicContact CG2-CG1 3.96Å; H486-V501 WeakPolarHBondContact O-CB 3.42Å; H486-V501 PolarHBondContact O-N 2.82Å; V501-Y505 HydrophobicContact CG1-CD2 3.35Å; V501-Y505 HydrophobicContact CG1-CE2 3.85Å; V501-Y505 HydrophobicContact CG1-CG 3.82Å
502	N	88.6	Confident	92.2	Very high	103 Å²	103	73.6 Å²	73.6	55%	0.551	36%	0.357	S	S	*	.			trans	-61.6	144.8	-175.9	-167.8	1.2	0	0	0	111.7	T504 Y505	N502-T504 PolarHBondContact ND2-OG1 2.77Å; N502-T504 PolarHBondContact O-N 2.87Å; N502-Y505 HydrophobicContact CB-CD2 4.18Å; N502-Y505 HydrophobicContact CB-CE2 4.25Å; N502-Y505 WeakPolarHBondContact O-CD2 3.44Å; N502-Y505 PolarHBondContact O-N 2.82Å; N502-Y505 VanDerWaalsContact O-N 3.1Å
503	R	86.4	Confident	92.2	Very high	192 Å²	192	76.1 Å²	76.1	73%	0.725	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-3.7	179.5	-59.8	-177.2	-177.9	-168.9	-0.2	114.3
504	T	89.7	Confident	92.4	Very high	94 Å²	94	74.1 Å²	74.1	58%	0.577	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-22.3	172.7	52.6	0	0	0	0	113.6	N502	N502-T504 PolarHBondContact ND2-OG1 2.77Å; N502-T504 PolarHBondContact O-N 2.87Å
505	Y	89.5	Confident	92.8	Very high	70 Å²	70	68.2 Å²	68.2	28%	0.275	33%	0.327	S	S	.	.	S	Bend	trans	-81.7	157.9	172.7	-62.9	-91	0	0	0	110.1	G458 G460 V462 H486 V501 N502	G458-Y505 CarbonylContact O-C 3.56Å; G458-Y505 WeakPolarHBondContact O-CA 3.22Å; G460-Y505 VanDerWaalsContact O-CD1 3.25Å; G460-Y505 WeakPolarHBondContact O-CD1 3.27Å; G460-Y505 WeakPolarHBondContact O-CE1 3.35Å; V462-Y505 HydrophobicContact CG2-CD1 3.51Å; V462-Y505 HydrophobicContact CG2-CD2 4.46Å; V462-Y505 HydrophobicContact CG2-CE1 3.49Å; V462-Y505 VanDerWaalsContact CG2-CE1 3.49Å; V462-Y505 HydrophobicContact CG2-CE2 4.44Å; V462-Y505 HydrophobicContact CG2-CG 4.02Å; H486-Y505 PolarHBondContact NE2-O 2.77Å; V501-Y505 HydrophobicContact CG1-CD2 3.35Å; V501-Y505 HydrophobicContact CG1-CE2 3.85Å; V501-Y505 HydrophobicContact CG1-CG 3.82Å; N502-Y505 HydrophobicContact CB-CD2 4.18Å; N502-Y505 HydrophobicContact CB-CE2 4.25Å; N502-Y505 WeakPolarHBondContact O-CD2 3.44Å; N502-Y505 PolarHBondContact O-N 2.82Å; N502-Y505 VanDerWaalsContact O-N 3.1Å
506	G	90.4	Very high	92.9	Very high	23 Å²	23	65.1 Å²	65.1	24%	0.237	31%	0.31	C	S	.	.			trans	-71.8	162.1	177.2	0	0	0	0	0	113.5	M457 G458	M457-G506 VanDerWaalsContact O-CA 3.32Å; M457-G506 WeakPolarHBondContact O-CA 3.48Å; G458-G506 PolarHBondContact O-N 3.37Å
507	K	91.8	Very high	93.2	Very high	69 Å²	69	57.4 Å²	57.4	30%	0.3	28%	0.281	S	S	.	.	S	Bend	trans	-102.1	-25.4	179.2	-73.9	-174	161.8	-153.4	0	114.1	R483 D485 H486	R483-K507 PolarHBondContact NH1-O 2.74Å; D485-K507 HydrophobicContact CB-CB 4.39Å; D485-K507 HydrophobicContact CB-CD 4.03Å; D485-K507 HydrophobicContact CB-CG 3.98Å; D485-K507 VanDerWaalsContact CG-CD 3.5Å; D485-K507 WeakPolarHBondContact OD2-CD 3.44Å; D485-K507 VanDerWaalsContact OD2-CE 3.28Å; D485-K507 WeakPolarHBondContact OD2-CE 3.32Å; D485-K507 IonicContact OD2-NZ 3.69Å; D485-K507 PolarHBondContact OD2-NZ 3.05Å; H486-K507 WeakPolarHBondContact CE1-CE 3.3Å; H486-K507 WeakPolarHBondContact CE1-CG 3.49Å; H486-K507 WeakPolarHBondContact ND1-CE 3.36Å
508	S	92.8	Very high	93.2	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	26%	0.264	S	S	.	.			trans	-104.7	130.8	-174	-54.9	0	0	0	0	110	T399 R400 N510	T399-S508 CarbonylContact O-C 3.59Å; T399-S508 WeakPolarHBondContact O-CA 3.43Å; R400-S508 WeakPolarHBondContact CG-OG 3.23Å; S508-N510 WeakPolarHBondContact CB-OD1 3.49Å; S508-N510 PolarHBondContact O-ND2 2.79Å
509	F	95.6	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	100.4	167.3	-177.5	-169.5	0	0	0	108	N398 T399 I432 D440 I442 M457 Q512 Y538	N398-F509 VanDerWaalsContact CA-O 3.32Å; N398-F509 WeakPolarHBondContact CA-O 3.3Å; T399-F509 PolarHBondContact N-O 2.79Å; T399-F509 PolarHBondContact O-N 3.09Å; I432-F509 HydrophobicContact CB-CE1 3.93Å; I432-F509 HydrophobicContact CB-CZ 3.85Å; I432-F509 HydrophobicContact CG2-CE1 3.78Å; I432-F509 HydrophobicContact CG2-CZ 3.7Å; I432-F509 WeakPolarHBondContact O-CZ 3.34Å; D440-F509 HydrophobicContact CB-CD2 3.65Å; D440-F509 HydrophobicContact CB-CE2 3.92Å; I442-F509 HydrophobicContact CB-CE1 4.07Å; I442-F509 HydrophobicContact CB-CZ 4.38Å; I442-F509 HydrophobicContact CD1-CD1 3.52Å; I442-F509 HydrophobicContact CD1-CE1 3.51Å; I442-F509 HydrophobicContact CG1-CD1 3.83Å; I442-F509 HydrophobicContact CG1-CE1 3.5Å; I442-F509 VanDerWaalsContact CG1-CE1 3.5Å; I442-F509 HydrophobicContact CG1-CZ 4.03Å; M457-F509 HydrophobicContact CE-CB 3.62Å; M457-F509 HydrophobicContact CE-CD1 3.92Å; M457-F509 HydrophobicContact CE-CD2 4.12Å; M457-F509 HydrophobicContact CE-CG 3.62Å; M457-F509 WeakPolarHBondContact SD-CA 3.41Å; M457-F509 HydrophobicContact SD-CB 3.41Å; M457-F509 WeakPolarHBondContact SD-CB 3.41Å; M457-F509 HydrophobicContact SD-CD2 3.7Å; M457-F509 HydrophobicContact SD-CG 3.63Å; F509-Q512 VanDerWaalsContact CD1-CD 3.46Å; F509-Q512 HydrophobicContact CD1-CG 3.79Å; F509-Q512 VanDerWaalsContact CD1-NE2 3.25Å; F509-Q512 HydrophobicContact CD2-CG 3.85Å; F509-Q512 HydrophobicContact CE1-CG 3.65Å; F509-Q512 HydrophobicContact CE2-CG 3.72Å; F509-Q512 HydrophobicContact CG-CG 3.9Å; F509-Q512 HydrophobicContact CZ-CG 3.63Å; F509-Q512 PolarHBondContact O-NE2 3.27Å; F509-Y538 WeakPolarHBondContact CE1-OH 3.44Å
510	N	94.2	Very high	93.1	Very high	52 Å²	52	46 Å²	46	28%	0.278	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	155.6	-168.2	-46.8	-79.3	0	0	0	112.2	N398 D440 S508 Q512	N398-N510 VanDerWaalsContact OD1-CA 3.24Å; N398-N510 WeakPolarHBondContact OD1-CA 3.43Å; N398-N510 WeakPolarHBondContact OD1-CB 3.43Å; D440-N510 VanDerWaalsContact OD2-CB 3.3Å; D440-N510 WeakPolarHBondContact OD2-CB 3.3Å; D440-N510 PolarHBondContact OD2-N 2.78Å; D440-N510 PolarHBondContact OD2-ND2 2.97Å; S508-N510 WeakPolarHBondContact CB-OD1 3.49Å; S508-N510 PolarHBondContact O-ND2 2.79Å; N510-Q512 VanDerWaalsContact C-N 3.32Å; N510-Q512 PolarHBondContact O-N 3.24Å
511	N	95	Very high	92.7	Very high	79 Å²	79	42.5 Å²	42.5	42%	0.422	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	35.2	170.3	-54.5	-66.4	0	0	0	115.3	L396 R397 N398 N434 E513	L396-N511 HydrophobicContact CD1-CB 4.15Å; L396-N511 WeakPolarHBondContact CD1-OD1 3.43Å; R397-N511 PolarHBondContact O-N 2.82Å; N398-N511 PolarHBondContact OD1-N 2.87Å; N434-N511 WeakPolarHBondContact CB-O 3.47Å; N511-E513 PolarHBondContact O-N 3Å
512	Q	95.7	Very high	92.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	128.8	173.6	-61	165.4	45.7	0	0	110.1	R397 T399 I432 F509 N510 Y538	R397-Q512 HydrophobicContact CB-CB 4.06Å; R397-Q512 PolarHBondContact N-O 3.05Å; R397-Q512 WeakPolarHBondContact O-CB 3.36Å; R397-Q512 PolarHBondContact O-N 3.05Å; T399-Q512 PolarHBondContact OG1-NE2 3.03Å; I432-Q512 HydrophobicContact CG2-CB 4.32Å; I432-Q512 HydrophobicContact CG2-CG 4.2Å; F509-Q512 VanDerWaalsContact CD1-CD 3.46Å; F509-Q512 HydrophobicContact CD1-CG 3.79Å; F509-Q512 VanDerWaalsContact CD1-NE2 3.25Å; F509-Q512 HydrophobicContact CD2-CG 3.85Å; F509-Q512 HydrophobicContact CE1-CG 3.65Å; F509-Q512 HydrophobicContact CE2-CG 3.72Å; F509-Q512 HydrophobicContact CG-CG 3.9Å; F509-Q512 HydrophobicContact CZ-CG 3.63Å; F509-Q512 PolarHBondContact O-NE2 3.27Å; N510-Q512 VanDerWaalsContact C-N 3.32Å; N510-Q512 PolarHBondContact O-N 3.24Å; Q512-Y538 PolarHBondContact OE1-OH 3.11Å
513	E	96.3	Very high	92	Very high	55 Å²	55	44 Å²	44	26%	0.257	22%	0.224	S	C	.	.			trans	-138.3	-33.9	-172.5	-160.2	175.7	-162.3	0	0	112.4	I391 Y392 L396 T433 N434 L435 N511	I391-E513 WeakPolarHBondContact CA-O 3.37Å; I391-E513 WeakPolarHBondContact CG2-O 3.47Å; Y392-E513 PolarHBondContact N-O 3.1Å; L396-E513 HydrophobicContact CD2-CB 3.66Å; L396-E513 HydrophobicContact CD2-CG 3.56Å; T433-E513 PolarHBondContact O-N 3.04Å; N434-E513 HydrophobicContact CB-CB 4.31Å; L435-E513 VanDerWaalsContact CB-OE2 3.28Å; L435-E513 WeakPolarHBondContact CB-OE2 3.04Å; L435-E513 HydrophobicContact CD1-CG 4.13Å; L435-E513 WeakPolarHBondContact CD1-OE1 3.2Å; L435-E513 HydrophobicContact CG-CB 4.49Å; L435-E513 VanDerWaalsContact CG-CD 3.48Å; L435-E513 HydrophobicContact CG-CG 3.9Å; L435-E513 WeakPolarHBondContact CG-OE2 3.48Å; L435-E513 PolarHBondContact N-OE2 3.08Å; N511-E513 PolarHBondContact O-N 3Å
514	V	97.2	Very high	91.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.4	-176.1	63.4	0	0	0	0	112.2	R389 L390 I391 I432 T433 L435 W516	R389-V514 HydrophobicContact CG-CG2 3.62Å; L390-V514 CarbonylContact O-C 3.55Å; L390-V514 WeakPolarHBondContact O-CA 3.19Å; I391-V514 HydrophobicContact CG1-CG2 4.05Å; I432-V514 WeakPolarHBondContact CA-O 3.18Å; T433-V514 HydrophobicContact CG2-CG1 4.41Å; T433-V514 PolarHBondContact N-O 2.83Å; T433-V514 VanDerWaalsContact N-O 3.12Å; T433-V514 PolarHBondContact O-N 2.81Å; L435-V514 HydrophobicContact CD2-CB 3.95Å; L435-V514 HydrophobicContact CD2-CG1 4.21Å; L435-V514 HydrophobicContact CD2-CG2 4.31Å; V514-W516 HydrophobicContact CG2-CD2 4.48Å; V514-W516 HydrophobicContact CG2-CZ2 4.3Å
515	I	98	Very high	90.4	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.4	174	-55.1	161.9	0	0	0	108	R389 L390 Y392 L430 F431 I432 I517 Y538 L541 L543	R389-I515 WeakPolarHBondContact CA-O 3.39Å; L390-I515 HydrophobicContact CB-CB 4.46Å; L390-I515 PolarHBondContact N-O 2.69Å; L390-I515 PolarHBondContact O-N 2.97Å; Y392-I515 HydrophobicContact CE2-CD1 4.06Å; Y392-I515 HydrophobicContact CE2-CG1 4.44Å; L430-I515 HydrophobicContact CD1-CG2 3.56Å; F431-I515 CarbonylContact O-C 3.52Å; F431-I515 WeakPolarHBondContact O-CA 3.32Å; I432-I515 HydrophobicContact CG1-CG1 4.04Å; I432-I515 HydrophobicContact CG1-CG2 4.15Å; I432-I515 HydrophobicContact CG2-CG1 4.09Å; I515-I517 HydrophobicContact CG2-CG1 4.46Å; I515-Y538 HydrophobicContact CD1-CD1 3.64Å; I515-Y538 HydrophobicContact CD1-CE1 4.23Å; I515-Y538 HydrophobicContact CG1-CD1 4.31Å; I515-L541 HydrophobicContact CD1-CD1 4.41Å; I515-L543 HydrophobicContact CD1-CD1 4.42Å; I515-L543 HydrophobicContact CD1-CD2 3.92Å; I515-L543 HydrophobicContact CG2-CD1 3.74Å
516	W	97	Very high	89.8	Confident	9 Å²	9	43.3 Å²	43.3	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	176.1	-52.7	75.9	0	0	0	109.8	Y387 L388 R389 L430 F431 V514 A520 P521	Y387-W516 AromaticContact CD2-CE3 3.82Å; Y387-W516 HydrophobicContact CD2-CE3 3.82Å; Y387-W516 HydrophobicContact CD2-CZ3 4.06Å; Y387-W516 AromaticContact CE2-CE3 3.78Å; Y387-W516 HydrophobicContact CE2-CE3 3.78Å; Y387-W516 AromaticContact CE2-CZ3 3.51Å; Y387-W516 HydrophobicContact CE2-CZ3 3.51Å; L388-W516 WeakPolarHBondContact O-CA 3.41Å; R389-W516 HydrophobicContact CB-CE3 4.23Å; R389-W516 HydrophobicContact CB-CZ3 4.47Å; R389-W516 VanDerWaalsContact CD-CZ3 3.49Å; R389-W516 HydrophobicContact CG-CD2 4.19Å; R389-W516 HydrophobicContact CG-CE3 4.14Å; R389-W516 HydrophobicContact CG-CH2 4.43Å; R389-W516 HydrophobicContact CG-CZ2 4.43Å; R389-W516 HydrophobicContact CG-CZ3 4.27Å; L430-W516 WeakPolarHBondContact CA-O 3.35Å; F431-W516 HydrophobicContact CB-CB 4.32Å; F431-W516 AromaticContact CD1-CD1 3.77Å; F431-W516 HydrophobicContact CD1-CG 4.37Å; F431-W516 PolarHBondContact N-O 3.28Å; F431-W516 PolarHBondContact O-N 2.92Å; V514-W516 HydrophobicContact CG2-CD2 4.48Å; V514-W516 HydrophobicContact CG2-CZ2 4.3Å; W516-A520 HydrophobicContact CB-CB 4.33Å; W516-A520 HydrophobicContact CG-CB 4.41Å; W516-P521 VanDerWaalsContact CZ3-CD 3.45Å; W516-P521 HydrophobicContact CZ3-CG 4.09Å
517	I	97.5	Very high	89.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.6	-178.7	-48.5	173.1	0	0	0	109	Y361 Y387 L388 L390 L429 L430 I515 H519 M533 V536 L543	Y361-I517 HydrophobicContact CE1-CG2 4.47Å; Y361-I517 WeakPolarHBondContact OH-CG2 3.26Å; Y387-I517 VanDerWaalsContact CA-O 3.29Å; Y387-I517 WeakPolarHBondContact CA-O 3.38Å; Y387-I517 WeakPolarHBondContact CB-O 3.39Å; L388-I517 HydrophobicContact CB-CB 4.2Å; L388-I517 HydrophobicContact CB-CD1 4.36Å; L388-I517 HydrophobicContact CD1-CD1 4.28Å; L388-I517 PolarHBondContact N-O 2.86Å; L388-I517 PolarHBondContact O-N 2.81Å; L390-I517 HydrophobicContact CD1-CD1 3.73Å; L390-I517 HydrophobicContact CD1-CG1 4.33Å; L429-I517 WeakPolarHBondContact O-CA 3.44Å; L430-I517 HydrophobicContact CD1-CG1 4.06Å; I515-I517 HydrophobicContact CG2-CG1 4.46Å; I517-H519 VanDerWaalsContact C-N 3.3Å; I517-H519 PolarHBondContact O-N 2.86Å; I517-M533 HydrophobicContact CG2-SD 3.48Å; I517-M533 WeakPolarHBondContact CG2-SD 3.36Å; I517-V536 HydrophobicContact CD1-CG1 4.16Å; I517-L543 HydrophobicContact CD1-CB 3.72Å; I517-L543 HydrophobicContact CD1-CD1 3.81Å; I517-L543 HydrophobicContact CD1-CG 4.42Å; I517-L543 HydrophobicContact CG1-CD1 4.4Å
518	G	94.5	Very high	88.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	83.9	-32.1	177.5	0	0	0	0	0	116.3	T428 L429 F529	T428-G518 CarbonylContact O-C 3.59Å; T428-G518 VanDerWaalsContact O-CA 3.22Å; T428-G518 WeakPolarHBondContact O-CA 3.38Å; T428-G518 VanDerWaalsContact O-O 3.06Å; L429-G518 PolarHBondContact O-N 3.47Å; L429-G518 VanDerWaalsContact O-N 3.16Å; G518-F529 WeakPolarHBondContact O-CB 3.31Å; G518-F529 PolarHBondContact O-N 3.25Å
519	H	93.1	Very high	88.8	Confident	20 Å²	20	40 Å²	40	9%	0.093	21%	0.205	C	C	.	.			trans	-162	156.5	171.1	-176.2	63.8	0	0	0	111.5	Y387 I517 P521 T526 D527 I528	Y387-H519 HydrophobicContact CD1-CB 4.13Å; Y387-H519 HydrophobicContact CG-CB 4.35Å; I517-H519 VanDerWaalsContact C-N 3.3Å; I517-H519 PolarHBondContact O-N 2.86Å; H519-P521 WeakPolarHBondContact NE2-CA 3.47Å; H519-T526 PolarHBondContact CE1-O 2.8Å; H519-T526 PolarHBondContact CE1-OG1 2.99Å; H519-D527 PolarHBondContact ND1-O 2.93Å; H519-I528 HydrophobicContact CB-CG1 4.08Å
520	A	90.9	Very high	88.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.			trans	-134.9	87.1	179.8	0	0	0	0	0	110.9	T428 F431 W516 I522 L523 T526	T428-A520 HydrophobicContact CG2-CB 4.33Å; F431-A520 HydrophobicContact CB-CB 4.35Å; F431-A520 HydrophobicContact CD1-CB 3.74Å; F431-A520 HydrophobicContact CE1-CB 4.45Å; F431-A520 HydrophobicContact CG-CB 4.34Å; W516-A520 HydrophobicContact CB-CB 4.33Å; W516-A520 HydrophobicContact CG-CB 4.41Å; A520-I522 PolarHBondContact O-N 3.48Å; A520-L523 HydrophobicContact CB-CB 4.06Å; A520-L523 WeakPolarHBondContact O-CB 3.18Å; A520-L523 PolarHBondContact O-N 3.37Å; A520-T526 PolarHBondContact O-OG1 2.93Å
521	P	83.8	Confident	88.4	Confident	62 Å²	62	39.1 Å²	39.1	40%	0.403	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.9	-164.8	-27.2	32.1	0	0	0	118.4	Y387 W516 H519	Y387-P521 HydrophobicContact CD1-CG 4.16Å; Y387-P521 HydrophobicContact CE1-CG 3.46Å; Y387-P521 VanDerWaalsContact CE1-CG 3.46Å; Y387-P521 HydrophobicContact CE2-CG 4.24Å; W516-P521 VanDerWaalsContact CZ3-CD 3.45Å; W516-P521 HydrophobicContact CZ3-CG 4.09Å; H519-P521 WeakPolarHBondContact NE2-CA 3.47Å
522	I	81.2	Confident	88.4	Confident	107 Å²	107	36.8 Å²	36.8	55%	0.549	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-17.5	-178.8	-62.4	165.8	0	0	0	110.8	A520 N524	A520-I522 PolarHBondContact O-N 3.48Å; I522-N524 PolarHBondContact O-N 3.14Å
523	L	81.6	Confident	88.5	Confident	49 Å²	49	36.8 Å²	36.8	26%	0.257	19%	0.186	S	C	.	.	S	Bend	trans	-83.9	99.2	-178.9	-170.4	61.7	0	0	0	110	F431 H443 A520 T526	F431-L523 HydrophobicContact CD1-CD2 4.32Å; F431-L523 HydrophobicContact CD2-CD2 4.01Å; F431-L523 HydrophobicContact CE1-CB 4.49Å; F431-L523 HydrophobicContact CE1-CD2 4.15Å; F431-L523 HydrophobicContact CE2-CD2 3.84Å; F431-L523 HydrophobicContact CG-CD2 4.25Å; F431-L523 HydrophobicContact CZ-CD1 4.27Å; F431-L523 HydrophobicContact CZ-CD2 3.91Å; H443-L523 VanDerWaalsContact CE1-CD2 3.49Å; H443-L523 WeakPolarHBondContact CE1-CD2 3.18Å; A520-L523 HydrophobicContact CB-CB 4.06Å; A520-L523 WeakPolarHBondContact O-CB 3.18Å; A520-L523 PolarHBondContact O-N 3.37Å; L523-T526 HydrophobicContact CB-CG2 3.86Å; L523-T526 HydrophobicContact CD2-CG2 3.72Å; L523-T526 HydrophobicContact CG-CG2 3.72Å; L523-T526 WeakPolarHBondContact O-CB 3.37Å; L523-T526 WeakPolarHBondContact O-CG2 3.4Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 PolarHBondContact O-OG1 2.89Å
524	N	71.4	Confident	88.6	Confident	145 Å²	145	34.2 Å²	34.2	78%	0.775	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.5	137.5	-179.2	-76.4	-59.6	0	0	0	113.1	I522 T526	I522-N524 PolarHBondContact O-N 3.14Å; N524-T526 VanDerWaalsContact C-N 3.28Å; N524-T526 PolarHBondContact O-N 2.9Å
525	K	70.7	Confident	88.6	Confident	178 Å²	178	34.5 Å²	34.5	77%	0.774	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	2.2	-177.8	-46.7	175.9	-178.9	177.6	0	116.3
526	T	77.9	Confident	88.6	Confident	20 Å²	20	34.4 Å²	34.4	12%	0.123	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.9	172.4	58.2	0	0	0	0	111.8	I426 T428 H519 A520 L523 N524	I426-T526 HydrophobicContact CD1-CG2 4.48Å; I426-T526 HydrophobicContact CG1-CG2 4.26Å; I426-T526 WeakPolarHBondContact O-CA 3.32Å; T428-T526 WeakPolarHBondContact OG1-CB 3.26Å; T428-T526 WeakPolarHBondContact OG1-CG2 3.27Å; H519-T526 PolarHBondContact CE1-O 2.8Å; H519-T526 PolarHBondContact CE1-OG1 2.99Å; A520-T526 PolarHBondContact O-OG1 2.93Å; L523-T526 HydrophobicContact CB-CG2 3.86Å; L523-T526 HydrophobicContact CD2-CG2 3.72Å; L523-T526 HydrophobicContact CG-CG2 3.72Å; L523-T526 WeakPolarHBondContact O-CB 3.37Å; L523-T526 WeakPolarHBondContact O-CG2 3.4Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 PolarHBondContact O-OG1 2.89Å; N524-T526 VanDerWaalsContact C-N 3.28Å; N524-T526 PolarHBondContact O-N 2.9Å
527	D	78.8	Confident	88.7	Confident	50 Å²	50	34.1 Å²	34.1	27%	0.267	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	173.4	171.7	-147.4	-33.5	0	0	0	109.6	T425 I426 A427 H519	T425-D527 WeakPolarHBondContact CB-OD2 3.45Å; T425-D527 PolarHBondContact OG1-OD2 3.32Å; I426-D527 PolarHBondContact O-N 2.96Å; A427-D527 HydrophobicContact CB-CB 4.49Å; H519-D527 PolarHBondContact ND1-O 2.93Å
528	I	84.6	Confident	88.7	Confident	10 Å²	10	34.1 Å²	34.1	5%	0.051	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-93.5	132.2	175.8	-61.8	134.3	0	0	0	108.9	I385 H519 H530	I385-I528 HydrophobicContact CB-CD1 4.14Å; I385-I528 HydrophobicContact CG1-CD1 3.9Å; I385-I528 HydrophobicContact CG2-CD1 4.16Å; I385-I528 HydrophobicContact CG2-CG1 4.19Å; H519-I528 HydrophobicContact CB-CG1 4.08Å; I528-H530 PolarHBondContact O-CE1 2.8Å; I528-H530 PolarHBondContact O-N 2.89Å; I528-H530 PolarHBondContact O-ND1 2.92Å
529	F	90.4	Very high	88.7	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-67.7	129.5	171.1	177.2	-98.4	0	0	0	110.9	Y361 I408 I410 L429 L446 G518 G531 M533	Y361-F529 WeakPolarHBondContact CB-O 3.31Å; Y361-F529 HydrophobicContact CD2-CD1 4.18Å; Y361-F529 HydrophobicContact CD2-CE1 4.48Å; Y361-F529 HydrophobicContact CG-CD1 4.16Å; I408-F529 HydrophobicContact CB-CE2 4.43Å; I408-F529 HydrophobicContact CB-CZ 4.12Å; I408-F529 HydrophobicContact CG2-CE2 4.47Å; I408-F529 HydrophobicContact CG2-CZ 4.27Å; I410-F529 HydrophobicContact CD1-CE2 4.45Å; I410-F529 HydrophobicContact CG1-CE2 3.94Å; I410-F529 HydrophobicContact CG1-CZ 4.33Å; L429-F529 HydrophobicContact CD2-CD2 3.42Å; L429-F529 VanDerWaalsContact CD2-CD2 3.42Å; L429-F529 HydrophobicContact CD2-CE2 3.74Å; L429-F529 HydrophobicContact CD2-CG 4.19Å; L446-F529 HydrophobicContact CD1-CD2 4.42Å; L446-F529 HydrophobicContact CD1-CE2 4.38Å; G518-F529 WeakPolarHBondContact O-CB 3.31Å; G518-F529 PolarHBondContact O-N 3.25Å; F529-G531 VanDerWaalsContact CE1-C 3.45Å; F529-M533 HydrophobicContact CB-CE 3.92Å; F529-M533 HydrophobicContact CD1-CE 3.5Å; F529-M533 VanDerWaalsContact CD1-CE 3.5Å; F529-M533 HydrophobicContact CD1-CG 3.77Å; F529-M533 HydrophobicContact CD1-SD 3.97Å; F529-M533 HydrophobicContact CD2-CE 3.87Å; F529-M533 HydrophobicContact CE1-CE 3.92Å; F529-M533 HydrophobicContact CE1-CG 3.42Å; F529-M533 VanDerWaalsContact CE1-CG 3.42Å; F529-M533 HydrophobicContact CE1-SD 4.24Å; F529-M533 HydrophobicContact CE2-CE 4.24Å; F529-M533 HydrophobicContact CG-CE 3.47Å; F529-M533 VanDerWaalsContact CG-CE 3.47Å; F529-M533 HydrophobicContact CG-SD 4.49Å; F529-M533 HydrophobicContact CZ-CE 4.27Å; F529-M533 HydrophobicContact CZ-CG 4.04Å
530	H	88.5	Confident	88.7	Confident	33 Å²	33	34.4 Å²	34.4	15%	0.153	18%	0.179	C	C	.	.			trans	-115.3	105.6	179.7	-72	77.8	0	0	0	110.3	G362 I411 M413 I528	G362-H530 PolarHBondContact O-CD2 3.49Å; G362-H530 VanDerWaalsContact O-CD2 3.27Å; I411-H530 PolarHBondContact N-O 2.87Å; M413-H530 HydrophobicContact SD-CB 3.93Å; I528-H530 PolarHBondContact O-CE1 2.8Å; I528-H530 PolarHBondContact O-N 2.89Å; I528-H530 PolarHBondContact O-ND1 2.92Å
531	G	92.3	Very high	88.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-160.4	-176.5	0	0	0	0	0	113.6	L360 Y361 Q409 F529	L360-G531 WeakPolarHBondContact CA-O 3.48Å; Y361-G531 PolarHBondContact N-O 3Å; Y361-G531 PolarHBondContact O-N 3.19Å; Y361-G531 VanDerWaalsContact O-N 3.08Å; Q409-G531 WeakPolarHBondContact O-CA 3.39Å; F529-G531 VanDerWaalsContact CE1-C 3.45Å
532	H	95.6	Very high	89.5	Confident	30 Å²	30	34 Å²	34	14%	0.139	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140	178.2	-58.2	87.9	0	0	0	111.3	T358 F359 I408 Q409 F570	T358-H532 HydrophobicContact CG2-CB 3.98Å; F359-H532 CarbonylContact O-C 3.54Å; F359-H532 WeakPolarHBondContact O-CA 3.03Å; I408-H532 WeakPolarHBondContact CA-O 3.28Å; Q409-H532 HydrophobicContact CB-CB 4.44Å; Q409-H532 PolarHBondContact N-O 2.92Å; Q409-H532 PolarHBondContact O-N 3.06Å; H532-F570 HydrophobicContact CB-CD2 4.41Å; H532-F570 HydrophobicContact CB-CE2 3.84Å; H532-F570 HydrophobicContact CB-CZ 3.94Å; H532-F570 AromaticContact CD2-CD2 3.53Å; H532-F570 AromaticContact CD2-CE2 3.62Å; H532-F570 AromaticContact CE1-CE2 3.92Å; H532-F570 AromaticContact CG-CD2 3.85Å; H532-F570 AromaticContact CG-CE2 3.43Å; H532-F570 VanDerWaalsContact CG-CE2 3.43Å; H532-F570 AromaticContact ND1-CE2 3.64Å; H532-F570 AromaticContact NE2-CD2 3.81Å; H532-F570 AromaticContact NE2-CE2 3.93Å
533	M	97.6	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.7	163.8	-56.4	175.6	149.3	0	0	109.6	T358 F359 Y361 G407 I408 L429 I517 F529 V536 N544	T358-M533 WeakPolarHBondContact CA-O 3.42Å; F359-M533 PolarHBondContact N-O 3.43Å; F359-M533 PolarHBondContact O-N 2.76Å; Y361-M533 HydrophobicContact CD2-CB 4.42Å; Y361-M533 HydrophobicContact CD2-CG 4.06Å; Y361-M533 HydrophobicContact CD2-SD 4.16Å; Y361-M533 HydrophobicContact CE1-SD 4.34Å; Y361-M533 HydrophobicContact CE2-CB 3.77Å; Y361-M533 HydrophobicContact CE2-CG 3.75Å; Y361-M533 HydrophobicContact CE2-SD 3.67Å; G407-M533 CarbonylContact O-C 3.59Å; G407-M533 VanDerWaalsContact O-CA 3.3Å; G407-M533 WeakPolarHBondContact O-CA 3.41Å; I408-M533 HydrophobicContact CG2-CG 4.24Å; L429-M533 HydrophobicContact CB-CE 4.04Å; L429-M533 HydrophobicContact CD2-CE 3.47Å; L429-M533 VanDerWaalsContact CD2-CE 3.47Å; L429-M533 HydrophobicContact CG-CE 4.36Å; I517-M533 HydrophobicContact CG2-SD 3.48Å; I517-M533 WeakPolarHBondContact CG2-SD 3.36Å; F529-M533 HydrophobicContact CB-CE 3.92Å; F529-M533 HydrophobicContact CD1-CE 3.5Å; F529-M533 VanDerWaalsContact CD1-CE 3.5Å; F529-M533 HydrophobicContact CD1-CG 3.77Å; F529-M533 HydrophobicContact CD1-SD 3.97Å; F529-M533 HydrophobicContact CD2-CE 3.87Å; F529-M533 HydrophobicContact CE1-CE 3.92Å; F529-M533 HydrophobicContact CE1-CG 3.42Å; F529-M533 VanDerWaalsContact CE1-CG 3.42Å; F529-M533 HydrophobicContact CE1-SD 4.24Å; F529-M533 HydrophobicContact CE2-CE 4.24Å; F529-M533 HydrophobicContact CG-CE 3.47Å; F529-M533 VanDerWaalsContact CG-CE 3.47Å; F529-M533 HydrophobicContact CG-SD 4.49Å; F529-M533 HydrophobicContact CZ-CE 4.27Å; F529-M533 HydrophobicContact CZ-CG 4.04Å; M533-V536 HydrophobicContact CB-CG2 3.99Å; M533-N544 PolarHBondContact O-ND2 3.03Å
534	T	97.8	Very high	91	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151	-176.4	178.9	0	0	0	0	112.5	A355 G356 T357 T358 G407 Y476 V536	A355-T534 HydrophobicContact CB-CG2 4.39Å; G356-T534 VanDerWaalsContact C-OG1 3.25Å; G356-T534 WeakPolarHBondContact CA-OG1 3.47Å; G356-T534 PolarHBondContact N-OG1 3.39Å; G356-T534 VanDerWaalsContact N-OG1 3.09Å; G356-T534 PolarHBondContact O-OG1 3.18Å; T357-T534 WeakPolarHBondContact O-CA 3.34Å; T358-T534 VanDerWaalsContact OG1-CB 3.23Å; T358-T534 WeakPolarHBondContact OG1-CB 3.26Å; T358-T534 PolarHBondContact OG1-OG1 3.02Å; G407-T534 PolarHBondContact N-O 3.36Å; G407-T534 PolarHBondContact O-N 3.4Å; Y476-T534 HydrophobicContact CE2-CG2 3.42Å; Y476-T534 VanDerWaalsContact CE2-CG2 3.42Å; Y476-T534 WeakPolarHBondContact OH-CG2 3.26Å; T534-V536 PolarHBondContact O-N 3.21Å
535	G	97.3	Very high	92.3	Very high	5 Å²	5	21.3 Å²	21.3	5%	0.052	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.3	35	170.5	0	0	0	0	0	112.7	T357 Y537	T357-G535 PolarHBondContact O-N 3.2Å; T357-G535 VanDerWaalsContact O-N 3.12Å; G535-Y537 PolarHBondContact O-N 3.05Å
536	V	98.4	Very high	93.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	118	-175.3	-175.6	0	0	0	0	108.7	I405 L406 I517 M533 T534 L542 L543	I405-V536 CarbonylContact O-C 3.57Å; I405-V536 WeakPolarHBondContact O-CA 3.48Å; L406-V536 HydrophobicContact CB-CB 4.28Å; L406-V536 HydrophobicContact CB-CG1 4.21Å; L406-V536 HydrophobicContact CB-CG2 3.78Å; I517-V536 HydrophobicContact CD1-CG1 4.16Å; M533-V536 HydrophobicContact CB-CG2 3.99Å; T534-V536 PolarHBondContact O-N 3.21Å; V536-L542 CarbonylContact O-C 3.2Å; V536-L543 HydrophobicContact CG1-CB 4.47Å; V536-L543 HydrophobicContact CG1-CD1 4.03Å; V536-L543 WeakPolarHBondContact O-CB 3.12Å; V536-L543 PolarHBondContact O-N 3.08Å
537	Y	97.9	Very high	94.5	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.016	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.5	-173.9	177.7	-87.2	0	0	0	110.4	Y240 E343 L344 E403 F404 I405 G535 G540 L541 L542	Y240-Y537 WeakPolarHBondContact CE1-OH 3.42Å; E343-Y537 HydrophobicContact CB-CD2 4.21Å; E343-Y537 HydrophobicContact CB-CE2 3.96Å; L344-Y537 HydrophobicContact CD2-CD1 4.15Å; L344-Y537 HydrophobicContact CD2-CE1 3.55Å; L344-Y537 HydrophobicContact CD2-CE2 4.31Å; E403-Y537 HydrophobicContact CG-CE1 4.07Å; E403-Y537 PolarHBondContact OE1-OH 3.1Å; F404-Y537 VanDerWaalsContact CA-O 3.27Å; F404-Y537 WeakPolarHBondContact CA-O 3.44Å; I405-Y537 HydrophobicContact CD1-CD1 3.64Å; I405-Y537 HydrophobicContact CD1-CE1 4.13Å; I405-Y537 HydrophobicContact CD1-CG 4.39Å; I405-Y537 PolarHBondContact N-O 3.18Å; I405-Y537 VanDerWaalsContact N-O 3.08Å; I405-Y537 PolarHBondContact O-N 2.84Å; G535-Y537 PolarHBondContact O-N 3.05Å; Y537-G540 VanDerWaalsContact CZ-CA 3.49Å; Y537-G540 VanDerWaalsContact CZ-N 3.29Å; Y537-G540 VanDerWaalsContact OH-CA 3.27Å; Y537-G540 WeakPolarHBondContact OH-CA 3.46Å; Y537-G540 PolarHBondContact OH-N 2.91Å; Y537-L541 CarbonylContact C-O 3.57Å; Y537-L541 VanDerWaalsContact CA-O 3.28Å; Y537-L541 WeakPolarHBondContact CA-O 3.35Å; Y537-L542 HydrophobicContact CD2-CD2 3.93Å; Y537-L542 HydrophobicContact CD2-CG 4.33Å
538	Y	97.4	Very high	95.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	124.4	168.9	178.8	-112.7	0	0	0	111.3	D402 E403 F404 I432 F509 Q512 I515 G540 L541	D402-Y538 HydrophobicContact CB-CE2 4.34Å; D402-Y538 PolarHBondContact OD1-OH 3.44Å; E403-Y538 WeakPolarHBondContact O-CA 3.44Å; E403-Y538 WeakPolarHBondContact O-CD2 3.41Å; F404-Y538 HydrophobicContact CB-CD2 4.18Å; I432-Y538 HydrophobicContact CD1-CD2 4.25Å; I432-Y538 HydrophobicContact CD1-CE2 3.92Å; I432-Y538 HydrophobicContact CG1-CD1 4.4Å; I432-Y538 HydrophobicContact CG1-CE1 4.06Å; I432-Y538 HydrophobicContact CG1-CE2 4.19Å; I432-Y538 HydrophobicContact CG2-CE1 4.08Å; F509-Y538 WeakPolarHBondContact CE1-OH 3.44Å; Q512-Y538 PolarHBondContact OE1-OH 3.11Å; I515-Y538 HydrophobicContact CD1-CD1 3.64Å; I515-Y538 HydrophobicContact CD1-CE1 4.23Å; I515-Y538 HydrophobicContact CG1-CD1 4.31Å; Y538-G540 VanDerWaalsContact C-N 3.3Å; Y538-G540 PolarHBondContact O-N 3.27Å; Y538-G540 VanDerWaalsContact O-N 3.14Å; Y538-L541 PolarHBondContact N-O 3.22Å; Y538-L541 WeakPolarHBondContact O-CB 3.39Å; Y538-L541 PolarHBondContact O-N 3.01Å
539	N	94.9	Very high	95.9	Very high	16 Å²	16	14 Å²	14	9%	0.086	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	48.4	173.1	-68.3	-3.7	0	0	0	114.1	R234 D402 E403	R234-N539 HydrophobicContact CG-CB 4.47Å; D402-N539 WeakPolarHBondContact CA-OD1 3.47Å; D402-N539 PolarHBondContact OD1-ND2 2.8Å; E403-N539 WeakPolarHBondContact CG-OD1 3.47Å; E403-N539 PolarHBondContact N-OD1 2.97Å; E403-N539 PolarHBondContact O-N 2.87Å; E403-N539 PolarHBondContact O-OD1 3.19Å
540	G	93.2	Very high	96.2	Very high	10 Å²	10	18.8 Å²	18.8	10%	0.103	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-14.2	-178.2	0	0	0	0	0	116.4	Y537 Y538	Y537-G540 VanDerWaalsContact CZ-CA 3.49Å; Y537-G540 VanDerWaalsContact CZ-N 3.29Å; Y537-G540 VanDerWaalsContact OH-CA 3.27Å; Y537-G540 WeakPolarHBondContact OH-CA 3.46Å; Y537-G540 PolarHBondContact OH-N 2.91Å; Y538-G540 VanDerWaalsContact C-N 3.3Å; Y538-G540 PolarHBondContact O-N 3.27Å; Y538-G540 VanDerWaalsContact O-N 3.14Å
541	L	95.3	Very high	96.4	Very high	4 Å²	4	19 Å²	19	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.8	-179.3	-58.9	176.1	0	0	0	111.6	L231 Y392 I515 Y537 Y538 L543 L546 L553 I556	L231-L541 HydrophobicContact CD1-CD2 3.79Å; L231-L541 HydrophobicContact CD2-CD2 3.75Å; L231-L541 HydrophobicContact CD2-CG 4.25Å; L231-L541 HydrophobicContact CG-CD2 4.36Å; Y392-L541 HydrophobicContact CE1-CD1 3.87Å; Y392-L541 WeakPolarHBondContact OH-CD1 3.33Å; I515-L541 HydrophobicContact CD1-CD1 4.41Å; Y537-L541 CarbonylContact C-O 3.57Å; Y537-L541 VanDerWaalsContact CA-O 3.28Å; Y537-L541 WeakPolarHBondContact CA-O 3.35Å; Y538-L541 PolarHBondContact N-O 3.22Å; Y538-L541 WeakPolarHBondContact O-CB 3.39Å; Y538-L541 PolarHBondContact O-N 3.01Å; L541-L543 HydrophobicContact CB-CD2 3.55Å; L541-L543 HydrophobicContact CB-CG 4.49Å; L541-L543 HydrophobicContact CD1-CD2 4.03Å; L541-L543 HydrophobicContact CG-CD2 4.46Å; L541-L543 PolarHBondContact O-N 2.77Å; L541-L543 VanDerWaalsContact O-N 3.13Å; L541-L546 HydrophobicContact CB-CD1 4.3Å; L541-L546 HydrophobicContact CD2-CD1 4.28Å; L541-L553 HydrophobicContact CD2-CD1 3.44Å; L541-L553 VanDerWaalsContact CD2-CD1 3.44Å; L541-I556 HydrophobicContact CD1-CD1 3.97Å; L541-I556 HydrophobicContact CD2-CD1 4.47Å; L541-I556 HydrophobicContact CD2-CG1 4.38Å
542	L	96.3	Very high	96.4	Very high	48 Å²	48	27.9 Å²	27.9	25%	0.251	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	89.4	162.9	-68.1	166	0	0	0	108.8	E343 V536 Y537 N544 D545 L546	E343-L542 HydrophobicContact CB-CD2 4.48Å; E343-L542 HydrophobicContact CG-CD1 4.21Å; E343-L542 HydrophobicContact CG-CD2 4.48Å; V536-L542 CarbonylContact O-C 3.2Å; Y537-L542 HydrophobicContact CD2-CD2 3.93Å; Y537-L542 HydrophobicContact CD2-CG 4.33Å; L542-N544 VanDerWaalsContact C-N 3.33Å; L542-N544 PolarHBondContact O-N 2.91Å; L542-D545 HydrophobicContact CB-CB 3.9Å; L542-D545 PolarHBondContact O-N 3.46Å; L542-L546 WeakPolarHBondContact O-CG 3.49Å; L542-L546 PolarHBondContact O-N 2.99Å
543	L	97.9	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-37.2	-170.9	-52.6	-179.2	0	0	0	112.2	L390 L430 I515 I517 V536 L541 A547	L390-L543 HydrophobicContact CD1-CB 4.24Å; L390-L543 HydrophobicContact CD2-CB 4.08Å; L390-L543 HydrophobicContact CD2-CD2 3.96Å; L430-L543 HydrophobicContact CD1-CD1 4.08Å; I515-L543 HydrophobicContact CD1-CD1 4.42Å; I515-L543 HydrophobicContact CD1-CD2 3.92Å; I515-L543 HydrophobicContact CG2-CD1 3.74Å; I517-L543 HydrophobicContact CD1-CB 3.72Å; I517-L543 HydrophobicContact CD1-CD1 3.81Å; I517-L543 HydrophobicContact CD1-CG 4.42Å; I517-L543 HydrophobicContact CG1-CD1 4.4Å; V536-L543 HydrophobicContact CG1-CB 4.47Å; V536-L543 HydrophobicContact CG1-CD1 4.03Å; V536-L543 WeakPolarHBondContact O-CB 3.12Å; V536-L543 PolarHBondContact O-N 3.08Å; L541-L543 HydrophobicContact CB-CD2 3.55Å; L541-L543 HydrophobicContact CB-CG 4.49Å; L541-L543 HydrophobicContact CD1-CD2 4.03Å; L541-L543 HydrophobicContact CG-CD2 4.46Å; L541-L543 PolarHBondContact O-N 2.77Å; L541-L543 VanDerWaalsContact O-N 3.13Å; L543-A547 WeakPolarHBondContact O-CB 3.31Å; L543-A547 PolarHBondContact O-N 2.82Å
544	N	97.8	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.5	-42.8	176.4	-81	9.5	0	0	0	111.8	T357 F359 M533 L542 L546 A547 A548	T357-N544 HydrophobicContact CG2-CB 3.91Å; T357-N544 WeakPolarHBondContact O-CB 3.15Å; T357-N544 PolarHBondContact O-ND2 3.16Å; F359-N544 HydrophobicContact CD2-CB 4.12Å; F359-N544 HydrophobicContact CE2-CB 4.33Å; F359-N544 WeakPolarHBondContact CE2-O 3.44Å; M533-N544 PolarHBondContact O-ND2 3.03Å; L542-N544 VanDerWaalsContact C-N 3.33Å; L542-N544 PolarHBondContact O-N 2.91Å; N544-L546 VanDerWaalsContact C-N 3.28Å; N544-L546 PolarHBondContact O-N 3Å; N544-A547 CarbonylContact O-C 3.6Å; N544-A547 PolarHBondContact O-N 3.1Å; N544-A547 VanDerWaalsContact O-N 3.09Å; N544-A548 WeakPolarHBondContact O-CB 3.41Å; N544-A548 PolarHBondContact O-N 3.23Å
545	D	97.5	Very high	95.7	Very high	35 Å²	35	31.9 Å²	31.9	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-40.1	178.6	-66.9	28.5	0	0	0	111.8	T357 L542 G549 L550 S551	T357-D545 WeakPolarHBondContact CB-OD1 3.48Å; T357-D545 PolarHBondContact OG1-OD1 2.93Å; L542-D545 HydrophobicContact CB-CB 3.9Å; L542-D545 PolarHBondContact O-N 3.46Å; D545-G549 PolarHBondContact O-N 3.47Å; D545-L550 HydrophobicContact CB-CB 4.44Å; D545-L550 PolarHBondContact O-N 2.82Å; D545-S551 PolarHBondContact O-N 2.89Å
546	L	97.3	Very high	95.6	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-41.1	174.2	-64.1	166.9	0	0	0	111.4	L390 L541 L542 N544 G549 L553 I556 V558	L390-L546 HydrophobicContact CD2-CB 4.18Å; L390-L546 HydrophobicContact CD2-CD1 4.27Å; L541-L546 HydrophobicContact CB-CD1 4.3Å; L541-L546 HydrophobicContact CD2-CD1 4.28Å; L542-L546 WeakPolarHBondContact O-CG 3.49Å; L542-L546 PolarHBondContact O-N 2.99Å; N544-L546 VanDerWaalsContact C-N 3.28Å; N544-L546 PolarHBondContact O-N 3Å; L546-G549 PolarHBondContact O-N 3.49Å; L546-L553 HydrophobicContact CD1-CD1 4.04Å; L546-L553 HydrophobicContact CD2-CB 4.17Å; L546-L553 HydrophobicContact CD2-CD1 3.82Å; L546-L553 HydrophobicContact CD2-CG 3.81Å; L546-I556 HydrophobicContact CD1-CG2 4.44Å; L546-V558 HydrophobicContact CB-CG2 4.04Å
547	A	97.9	Very high	95.5	Very high	18 Å²	18	35.9 Å²	35.9	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-74	-26.8	178.5	0	0	0	0	0	114.2	F359 L388 L543 N544 G549 V558	F359-A547 HydrophobicContact CE2-CB 3.82Å; F359-A547 HydrophobicContact CZ-CB 3.89Å; L388-A547 HydrophobicContact CD1-CB 3.56Å; L388-A547 HydrophobicContact CD2-CB 4.15Å; L388-A547 HydrophobicContact CG-CB 4.41Å; L543-A547 WeakPolarHBondContact O-CB 3.31Å; L543-A547 PolarHBondContact O-N 2.82Å; N544-A547 CarbonylContact O-C 3.6Å; N544-A547 PolarHBondContact O-N 3.1Å; N544-A547 VanDerWaalsContact O-N 3.09Å; A547-G549 VanDerWaalsContact C-N 3.32Å; A547-V558 HydrophobicContact CB-CG1 3.76Å
548	A	97.1	Very high	95.5	Very high	30 Å²	30	38 Å²	38	25%	0.248	22%	0.216	C	C	.	.	H	α-helix	trans	-82	-10.3	172.8	0	0	0	0	0	112.8	T357 F359 N544 L550 Y566	T357-A548 HydrophobicContact CG2-CB 3.59Å; F359-A548 HydrophobicContact CE2-CB 4.02Å; F359-A548 HydrophobicContact CZ-CB 4.05Å; N544-A548 WeakPolarHBondContact O-CB 3.41Å; N544-A548 PolarHBondContact O-N 3.23Å; A548-L550 VanDerWaalsContact C-N 3.27Å; A548-L550 HydrophobicContact CB-CD1 4.09Å; A548-L550 HydrophobicContact CB-CG 3.91Å; A548-Y566 HydrophobicContact CB-CD1 4.34Å; A548-Y566 HydrophobicContact CB-CD2 3.85Å; A548-Y566 HydrophobicContact CB-CE1 4.45Å; A548-Y566 HydrophobicContact CB-CE2 4.04Å; A548-Y566 HydrophobicContact CB-CG 4.05Å
549	G	96.1	Very high	95.4	Very high	43 Å²	43	39.6 Å²	39.6	44%	0.443	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	16.7	-175.5	0	0	0	0	0	114	D545 L546 A547	D545-G549 PolarHBondContact O-N 3.47Å; L546-G549 PolarHBondContact O-N 3.49Å; A547-G549 VanDerWaalsContact C-N 3.32Å
550	L	95.4	Very high	95.4	Very high	104 Å²	104	44.2 Å²	44.2	55%	0.545	24%	0.239	S	C	.	.	S	Bend	trans	-76.9	-27.6	175.5	-60.6	176.7	0	0	0	111.7	T357 D545 A548	T357-L550 HydrophobicContact CG2-CD1 3.89Å; T357-L550 WeakPolarHBondContact OG1-CD1 3.47Å; D545-L550 HydrophobicContact CB-CB 4.44Å; D545-L550 PolarHBondContact O-N 2.82Å; A548-L550 VanDerWaalsContact C-N 3.27Å; A548-L550 HydrophobicContact CB-CD1 4.09Å; A548-L550 HydrophobicContact CB-CG 3.91Å
551	S	92.5	Very high	95.3	Very high	38 Å²	38	45.5 Å²	45.5	27%	0.266	24%	0.242	S	C	.	.	S	Bend	trans	-126.7	153.4	172.8	-175.4	0	0	0	0	110.3	D545	D545-S551 PolarHBondContact O-N 2.89Å
552	Y	92.4	Very high	94.9	Very high	186 Å²	186	48.4 Å²	48.4	73%	0.729	27%	0.273	S	S	*	.			trans	-135	123.1	178.9	176.4	-101.7	0	0	0	111.3	P554	Y552-P554 HydrophobicContact CE1-CB 3.87Å; Y552-P554 HydrophobicContact CE1-CG 4.46Å
553	L	92.5	Very high	94.4	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.063	28%	0.276	C	S	.	.			trans	-121.5	116.4	172.9	-66.4	172.4	0	0	0	108.3	L231 L541 L546 F555 I556	L231-L553 HydrophobicContact CD1-CD1 3.58Å; L231-L553 HydrophobicContact CD1-CD2 3.94Å; L231-L553 HydrophobicContact CD1-CG 4.43Å; L541-L553 HydrophobicContact CD2-CD1 3.44Å; L541-L553 VanDerWaalsContact CD2-CD1 3.44Å; L546-L553 HydrophobicContact CD1-CD1 4.04Å; L546-L553 HydrophobicContact CD2-CB 4.17Å; L546-L553 HydrophobicContact CD2-CD1 3.82Å; L546-L553 HydrophobicContact CD2-CG 3.81Å; L553-F555 HydrophobicContact CB-CD1 4.3Å; L553-F555 HydrophobicContact CB-CE1 3.9Å; L553-F555 HydrophobicContact CB-CZ 4.08Å; L553-F555 HydrophobicContact CD1-CZ 4.01Å; L553-F555 HydrophobicContact CD2-CE1 3.95Å; L553-F555 HydrophobicContact CD2-CZ 4.11Å; L553-F555 HydrophobicContact CG-CE1 4.35Å; L553-F555 HydrophobicContact CG-CZ 4.3Å; L553-F555 PolarHBondContact O-N 2.86Å; L553-I556 HydrophobicContact CB-CB 4.29Å; L553-I556 HydrophobicContact CB-CG1 3.94Å; L553-I556 HydrophobicContact CD1-CG1 4.13Å; L553-I556 PolarHBondContact O-N 2.95Å
554	P	91.6	Very high	94.1	Very high	92 Å²	92	49.7 Å²	49.7	60%	0.597	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.6	-171.1	26.2	-35.2	0	0	0	114.5	Y552	Y552-P554 HydrophobicContact CE1-CB 3.87Å; Y552-P554 HydrophobicContact CE1-CG 4.46Å
555	F	92.6	Very high	93.9	Very high	11 Å²	11	54.6 Å²	54.6	5%	0.048	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	1.1	177	60.9	-87.8	0	0	0	113.8	Y228 L231 Y392 K393 D394 L553	Y228-F555 HydrophobicContact CD2-CD1 4.02Å; Y228-F555 AromaticContact CD2-CE1 3.7Å; Y228-F555 HydrophobicContact CD2-CE1 3.7Å; Y228-F555 AromaticContact CE2-CD1 3.89Å; Y228-F555 HydrophobicContact CE2-CD1 3.89Å; Y228-F555 AromaticContact CE2-CE1 4Å; Y228-F555 HydrophobicContact CE2-CE1 4Å; L231-F555 HydrophobicContact CB-CZ 4.1Å; L231-F555 HydrophobicContact CD1-CZ 3.87Å; Y392-F555 CarbonylContact C-O 3.28Å; K393-F555 PolarHBondContact N-O 2.8Å; D394-F555 HydrophobicContact CB-CB 3.68Å; L553-F555 HydrophobicContact CB-CD1 4.3Å; L553-F555 HydrophobicContact CB-CE1 3.9Å; L553-F555 HydrophobicContact CB-CZ 4.08Å; L553-F555 HydrophobicContact CD1-CZ 4.01Å; L553-F555 HydrophobicContact CD2-CE1 3.95Å; L553-F555 HydrophobicContact CD2-CZ 4.11Å; L553-F555 HydrophobicContact CG-CE1 4.35Å; L553-F555 HydrophobicContact CG-CZ 4.3Å; L553-F555 PolarHBondContact O-N 2.86Å
556	I	95.4	Very high	93.8	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.1	172.7	-54.9	-61.7	0	0	0	108.5	L390 Y392 L541 L546 L553 V558	L390-I556 HydrophobicContact CB-CG2 4.16Å; L390-I556 HydrophobicContact CD2-CG2 4.1Å; Y392-I556 HydrophobicContact CD1-CD1 3.46Å; Y392-I556 VanDerWaalsContact CD1-CD1 3.46Å; Y392-I556 HydrophobicContact CE1-CD1 3.65Å; Y392-I556 HydrophobicContact CG-CD1 4.22Å; L541-I556 HydrophobicContact CD1-CD1 3.97Å; L541-I556 HydrophobicContact CD2-CD1 4.47Å; L541-I556 HydrophobicContact CD2-CG1 4.38Å; L546-I556 HydrophobicContact CD1-CG2 4.44Å; L553-I556 HydrophobicContact CB-CB 4.29Å; L553-I556 HydrophobicContact CB-CG1 3.94Å; L553-I556 HydrophobicContact CD1-CG1 4.13Å; L553-I556 PolarHBondContact O-N 2.95Å; I556-V558 HydrophobicContact CG2-CG2 4.03Å
557	Q	97.3	Very high	93.8	Very high	73 Å²	73	57.1 Å²	57.1	34%	0.341	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129	163.8	-172.1	-161.3	-13.4	0	0	108.3	L390 I391 K393 E559	L390-Q557 CarbonylContact C-O 3.53Å; L390-Q557 WeakPolarHBondContact CA-O 3.46Å; I391-Q557 HydrophobicContact CB-CB 4.47Å; I391-Q557 PolarHBondContact N-O 2.93Å; I391-Q557 PolarHBondContact O-N 2.85Å; K393-Q557 HydrophobicContact CD-CB 4.4Å; K393-Q557 HydrophobicContact CG-CB 4.11Å; Q557-E559 HydrophobicContact CG-CG 4.48Å; Q557-E559 PolarHBondContact NE2-OE1 2.8Å
558	V	97.6	Very high	93.5	Very high	49 Å²	49	60.6 Å²	60.6	30%	0.297	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.4	171	-167.7	0	0	0	0	109.9	L390 L546 A547 I556	L390-V558 HydrophobicContact CD2-CG1 4.31Å; L390-V558 HydrophobicContact CD2-CG2 3.85Å; L390-V558 HydrophobicContact CG-CG1 4.02Å; L390-V558 HydrophobicContact CG-CG2 4.16Å; L546-V558 HydrophobicContact CB-CG2 4.04Å; A547-V558 HydrophobicContact CB-CG1 3.76Å; I556-V558 HydrophobicContact CG2-CG2 4.03Å
559	E	95.6	Very high	93.3	Very high	33 Å²	33	64.8 Å²	64.8	15%	0.154	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.8	174.5	-60.4	171.5	178.7	0	0	109	R389 Q557 F561	R389-E559 HydrophobicContact CB-CB 4.41Å; R389-E559 IonicContact CZ-OE2 2.69Å; R389-E559 PolarHBondContact N-O 2.97Å; R389-E559 IonicContact NE-OE2 3.23Å; R389-E559 PolarHBondContact NE-OE2 2.92Å; R389-E559 VanDerWaalsContact NH2-CD 3.33Å; R389-E559 IonicContact NH2-OE1 3.03Å; R389-E559 PolarHBondContact NH2-OE1 2.89Å; R389-E559 IonicContact NH2-OE2 2.88Å; R389-E559 PolarHBondContact NH2-OE2 2.87Å; R389-E559 PolarHBondContact O-N 3.22Å; Q557-E559 HydrophobicContact CG-CG 4.48Å; Q557-E559 PolarHBondContact NE2-OE1 2.8Å; E559-F561 HydrophobicContact CB-CD2 4.27Å; E559-F561 HydrophobicContact CB-CE2 3.55Å; E559-F561 HydrophobicContact CB-CZ 4.18Å; E559-F561 HydrophobicContact CG-CE2 4.47Å; E559-F561 WeakPolarHBondContact OE2-CE2 3.23Å; E559-F561 VanDerWaalsContact OE2-CZ 3.23Å; E559-F561 WeakPolarHBondContact OE2-CZ 3.32Å
560	R	93.8	Very high	93.2	Very high	113 Å²	113	64.2 Å²	64.2	43%	0.426	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.2	-178.4	171.2	172.3	159.9	-151.2	-9.2	107.9	L388 V564	L388-R560 HydrophobicContact CD2-CB 3.77Å; L388-R560 HydrophobicContact CD2-CG 3.8Å; R560-V564 HydrophobicContact CG-CB 4.2Å; R560-V564 PolarHBondContact NE-O 3.2Å; R560-V564 PolarHBondContact NH2-O 2.83Å
561	F	91	Very high	93.2	Very high	36 Å²	36	67 Å²	67	16%	0.158	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.9	-173.2	-70	-92.1	0	0	0	111	G386 Y387 R389 E559	G386-F561 WeakPolarHBondContact CA-O 3.26Å; Y387-F561 HydrophobicContact CD1-CB 4.1Å; Y387-F561 HydrophobicContact CD2-CB 4.08Å; Y387-F561 AromaticContact CD2-CD2 3.82Å; Y387-F561 HydrophobicContact CD2-CD2 3.82Å; Y387-F561 HydrophobicContact CD2-CG 4.26Å; Y387-F561 HydrophobicContact CE1-CB 3.66Å; Y387-F561 HydrophobicContact CE1-CG 4.19Å; Y387-F561 HydrophobicContact CE2-CB 3.64Å; Y387-F561 HydrophobicContact CE2-CD1 4.37Å; Y387-F561 AromaticContact CE2-CD2 3.11Å; Y387-F561 HydrophobicContact CE2-CD2 3.11Å; Y387-F561 AromaticContact CE2-CE2 3.77Å; Y387-F561 HydrophobicContact CE2-CE2 3.77Å; Y387-F561 AromaticContact CE2-CG 3.46Å; Y387-F561 HydrophobicContact CE2-CG 3.46Å; Y387-F561 VanDerWaalsContact CE2-CG 3.46Å; Y387-F561 HydrophobicContact CG-CB 4.28Å; Y387-F561 AromaticContact CZ-CD2 3.6Å; Y387-F561 AromaticContact CZ-CG 3.4Å; Y387-F561 VanDerWaalsContact CZ-CG 3.4Å; Y387-F561 PolarHBondContact N-O 2.9Å; Y387-F561 VanDerWaalsContact N-O 3.13Å; Y387-F561 PolarHBondContact O-N 2.79Å; Y387-F561 WeakPolarHBondContact OH-CD1 3.25Å; Y387-F561 VanDerWaalsContact OH-CG 3.3Å; Y387-F561 WeakPolarHBondContact OH-CG 3.21Å; R389-F561 HydrophobicContact CB-CE2 4.16Å; E559-F561 HydrophobicContact CB-CD2 4.27Å; E559-F561 HydrophobicContact CB-CE2 3.55Å; E559-F561 HydrophobicContact CB-CZ 4.18Å; E559-F561 HydrophobicContact CG-CE2 4.47Å; E559-F561 WeakPolarHBondContact OE2-CE2 3.23Å; E559-F561 VanDerWaalsContact OE2-CZ 3.23Å; E559-F561 WeakPolarHBondContact OE2-CZ 3.32Å
562	G	86.7	Confident	93.2	Very high	65 Å²	65	66.6 Å²	66.6	67%	0.67	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.3	-141.9	173.1	0	0	0	0	0	113.7	I385 V564	I385-G562 CarbonylContact O-C 3.14Å; I385-G562 VanDerWaalsContact O-CA 3.29Å; I385-G562 WeakPolarHBondContact O-CA 3.41Å; G562-V564 VanDerWaalsContact C-N 3.29Å; G562-V564 PolarHBondContact O-N 2.72Å
563	K	86.3	Confident	93.2	Very high	72 Å²	72	62.6 Å²	62.6	31%	0.313	34%	0.336	S	S	.	.	S	Bend	trans	-86.5	69.2	-168.6	-151.7	159.4	-151.9	-66.5	0	113	G362 F363 N364 T384 I385	G362-K563 PolarHBondContact N-O 2.85Å; F363-K563 WeakPolarHBondContact O-CD 3.4Å; F363-K563 PolarHBondContact O-NZ 3.46Å; N364-K563 HydrophobicContact CB-CD 4.26Å; N364-K563 WeakPolarHBondContact OD1-CE 3.46Å; N364-K563 PolarHBondContact OD1-NZ 3.18Å; T384-K563 HydrophobicContact CG2-CD 3.93Å; I385-K563 PolarHBondContact O-N 2.79Å
564	V	91.8	Very high	93	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.1	163.8	179.4	0	0	0	0	108.6	F359 L360 Y361 G386 L388 R560 G562	F359-V564 HydrophobicContact CB-CG1 4.14Å; F359-V564 HydrophobicContact CD1-CG1 3.43Å; F359-V564 VanDerWaalsContact CD1-CG1 3.43Å; F359-V564 HydrophobicContact CE1-CG1 4.14Å; F359-V564 HydrophobicContact CG-CG1 4.1Å; L360-V564 CarbonylContact O-C 3.53Å; L360-V564 VanDerWaalsContact O-CA 3.27Å; L360-V564 WeakPolarHBondContact O-CA 3.33Å; Y361-V564 HydrophobicContact CD1-CB 4.48Å; Y361-V564 HydrophobicContact CD1-CG1 4.26Å; Y361-V564 HydrophobicContact CD1-CG2 3.53Å; Y361-V564 HydrophobicContact CE1-CG1 4Å; Y361-V564 HydrophobicContact CE1-CG2 3.76Å; Y361-V564 HydrophobicContact CG-CG2 4.27Å; G386-V564 VanDerWaalsContact CA-CG2 3.47Å; L388-V564 HydrophobicContact CD2-CG1 3.84Å; L388-V564 HydrophobicContact CG-CG1 4.17Å; R560-V564 HydrophobicContact CG-CB 4.2Å; R560-V564 PolarHBondContact NE-O 3.2Å; R560-V564 PolarHBondContact NH2-O 2.83Å; G562-V564 VanDerWaalsContact C-N 3.29Å; G562-V564 PolarHBondContact O-N 2.72Å
565	E	93.5	Very high	92.3	Very high	104 Å²	104	64.7 Å²	64.7	49%	0.486	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136	-178	-171.4	167.6	-176.7	0	0	112.7	F359 L360	F359-E565 CarbonylContact C-O 3.56Å; F359-E565 VanDerWaalsContact CA-O 3.26Å; F359-E565 WeakPolarHBondContact CA-O 3.07Å; F359-E565 VanDerWaalsContact CD1-C 3.4Å; F359-E565 VanDerWaalsContact CD1-O 3.32Å; F359-E565 WeakPolarHBondContact CD1-O 3.35Å; L360-E565 PolarHBondContact N-O 3.39Å; L360-E565 PolarHBondContact O-N 2.87Å
566	Y	96	Very high	90.8	Very high	71 Å²	71	71.7 Å²	71.7	28%	0.278	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.2	176.9	170.8	-126.4	0	0	0	109.9	T357 T358 F359 A548 P568	T357-Y566 HydrophobicContact CG2-CD2 3.97Å; T357-Y566 HydrophobicContact CG2-CE2 3.51Å; T358-Y566 VanDerWaalsContact O-CD2 3.28Å; T358-Y566 WeakPolarHBondContact O-CD2 3.49Å; F359-Y566 HydrophobicContact CE2-CD2 4.33Å; F359-Y566 HydrophobicContact CZ-CD2 4.4Å; F359-Y566 HydrophobicContact CZ-CG 4.43Å; A548-Y566 HydrophobicContact CB-CD1 4.34Å; A548-Y566 HydrophobicContact CB-CD2 3.85Å; A548-Y566 HydrophobicContact CB-CE1 4.45Å; A548-Y566 HydrophobicContact CB-CE2 4.04Å; A548-Y566 HydrophobicContact CB-CG 4.05Å; Y566-P568 HydrophobicContact CE1-CB 3.76Å; Y566-P568 HydrophobicContact CE1-CG 4.19Å; Y566-P568 VanDerWaalsContact O-CD 3.3Å; Y566-P568 WeakPolarHBondContact O-CD 3.34Å
567	V	95.9	Very high	88.6	Confident	31 Å²	31	76 Å²	76	19%	0.188	42%	0.417	C	S	.	.			trans	-114.6	89.1	-176.4	-172.8	0	0	0	0	109.6	T358 L360 T569 F570	T358-V567 HydrophobicContact CG2-CB 4.48Å; T358-V567 PolarHBondContact O-N 3.25Å; L360-V567 HydrophobicContact CB-CG2 3.68Å; V567-T569 PolarHBondContact O-N 3.32Å; V567-F570 HydrophobicContact CB-CB 4.4Å; V567-F570 HydrophobicContact CG1-CB 3.96Å; V567-F570 PolarHBondContact O-N 2.81Å
568	P	93.1	Very high	85.4	Confident	90 Å²	90	81.9 Å²	81.9	58%	0.584	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.2	-176	26	-35	0	0	0	114.6	Y566	Y566-P568 HydrophobicContact CE1-CB 3.76Å; Y566-P568 HydrophobicContact CE1-CG 4.19Å; Y566-P568 VanDerWaalsContact O-CD 3.3Å; Y566-P568 WeakPolarHBondContact O-CD 3.34Å
569	T	92.2	Very high	82.2	Confident	118 Å²	118	83 Å²	83	72%	0.724	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	26.4	-176	61.6	0	0	0	0	112.7	V567	V567-T569 PolarHBondContact O-N 3.32Å
570	F	94.8	Very high	79.4	Confident	31 Å²	31	86.7 Å²	86.7	14%	0.136	47%	0.47	C	S	.	.			trans	-63	139.2	177.6	176.9	-112	0	0	0	111.4	A355 T358 Q409 Y476 H532 V567 P572	A355-F570 HydrophobicContact CB-CD1 3.69Å; A355-F570 HydrophobicContact CB-CE1 4.02Å; T358-F570 HydrophobicContact CG2-CB 3.78Å; T358-F570 HydrophobicContact CG2-CD1 3.71Å; T358-F570 HydrophobicContact CG2-CD2 4.16Å; T358-F570 HydrophobicContact CG2-CE1 4.31Å; T358-F570 HydrophobicContact CG2-CG 3.62Å; T358-F570 VanDerWaalsContact OG1-CD1 3.26Å; T358-F570 WeakPolarHBondContact OG1-CD1 3.43Å; Q409-F570 HydrophobicContact CB-CZ 4.18Å; Y476-F570 HydrophobicContact CD2-CE1 4.25Å; Y476-F570 HydrophobicContact CD2-CZ 4.43Å; Y476-F570 HydrophobicContact CE2-CE1 4.19Å; H532-F570 HydrophobicContact CB-CD2 4.41Å; H532-F570 HydrophobicContact CB-CE2 3.84Å; H532-F570 HydrophobicContact CB-CZ 3.94Å; H532-F570 AromaticContact CD2-CD2 3.53Å; H532-F570 AromaticContact CD2-CE2 3.62Å; H532-F570 AromaticContact CE1-CE2 3.92Å; H532-F570 AromaticContact CG-CD2 3.85Å; H532-F570 AromaticContact CG-CE2 3.43Å; H532-F570 VanDerWaalsContact CG-CE2 3.43Å; H532-F570 AromaticContact ND1-CE2 3.64Å; H532-F570 AromaticContact NE2-CD2 3.81Å; H532-F570 AromaticContact NE2-CE2 3.93Å; V567-F570 HydrophobicContact CB-CB 4.4Å; V567-F570 HydrophobicContact CG1-CB 3.96Å; V567-F570 PolarHBondContact O-N 2.81Å; F570-P572 HydrophobicContact CE1-CB 3.91Å; F570-P572 HydrophobicContact CZ-CB 4.23Å
571	Q	93.7	Very high	76.3	Confident	163 Å²	163	86.6 Å²	86.6	76%	0.762	48%	0.479	S	S	*	.			trans	-127.3	116.6	173.7	-65.8	-173.9	2.7	0	0	108
572	P	93	Very high	73.3	Confident	30 Å²	30	90.1 Å²	90.1	20%	0.195	50%	0.495	C	S	.	.			trans	-71.2	134.8	-175.1	29	-34.7	0	0	0	110.8	F347 A355 Y476 F570 L574	F347-P572 HydrophobicContact CE1-CG 4.41Å; A355-P572 HydrophobicContact CB-CG 4.08Å; Y476-P572 HydrophobicContact CD1-CB 4.39Å; Y476-P572 HydrophobicContact CD2-CB 3.31Å; Y476-P572 HydrophobicContact CE2-CB 3.83Å; Y476-P572 HydrophobicContact CG-CB 3.6Å; F570-P572 HydrophobicContact CE1-CB 3.91Å; F570-P572 HydrophobicContact CZ-CB 4.23Å; P572-L574 VanDerWaalsContact C-N 3.26Å; P572-L574 HydrophobicContact CB-CD2 4.3Å; P572-L574 HydrophobicContact CB-CG 4.47Å; P572-L574 HydrophobicContact CG-CD2 4.31Å; P572-L574 HydrophobicContact CG-CG 4.27Å; P572-L574 PolarHBondContact O-N 2.76Å
573	L	92.6	Very high	70.7	Confident	102 Å²	102	93.7 Å²	93.7	53%	0.534	50%	0.498	S	S	.	.			trans	-76.2	84.6	166.1	-62.8	-176.4	0	0	0	108.6	Q409 F475 Y476 A575	Q409-L573 VanDerWaalsContact NE2-CG 3.32Å; F475-L573 CarbonylContact C-O 3.6Å; F475-L573 VanDerWaalsContact CA-O 3.26Å; F475-L573 WeakPolarHBondContact CA-O 3.28Å; F475-L573 WeakPolarHBondContact CB-O 3.37Å; F475-L573 HydrophobicContact CD1-CB 4.19Å; F475-L573 WeakPolarHBondContact CD1-O 3.46Å; Y476-L573 WeakPolarHBondContact CB-O 3.26Å; Y476-L573 PolarHBondContact N-O 3.1Å; L573-A575 PolarHBondContact O-N 2.94Å
574	L	87.7	Confident	68.1	Low	94 Å²	94	96.5 Å²	96.5	49%	0.492	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-65.5	129.5	171.6	-60.2	174.7	0	0	0	109.2	F347 Y476 P572 I576	F347-L574 HydrophobicContact CE1-CD2 4.47Å; F347-L574 HydrophobicContact CZ-CD2 4.17Å; Y476-L574 HydrophobicContact CD1-CD2 3.8Å; Y476-L574 HydrophobicContact CG-CD2 4.18Å; P572-L574 VanDerWaalsContact C-N 3.26Å; P572-L574 HydrophobicContact CB-CD2 4.3Å; P572-L574 HydrophobicContact CB-CG 4.47Å; P572-L574 HydrophobicContact CG-CD2 4.31Å; P572-L574 HydrophobicContact CG-CG 4.27Å; P572-L574 PolarHBondContact O-N 2.76Å; L574-I576 PolarHBondContact O-N 3.27Å
575	A	78.6	Confident	65	Low	54 Å²	54	100.6 Å²	100.6	45%	0.446	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-59.4	126.4	167.4	0	0	0	0	0	108.7	F475 L573 S577	F475-A575 HydrophobicContact CB-CB 4.16Å; F475-A575 HydrophobicContact CD1-CB 4.1Å; F475-A575 HydrophobicContact CD2-CB 4.31Å; F475-A575 HydrophobicContact CG-CB 3.94Å; L573-A575 PolarHBondContact O-N 2.94Å; A575-S577 PolarHBondContact O-N 2.57Å; A575-S577 VanDerWaalsContact O-N 3.11Å
576	I	60.9	Low	61.9	Low	158 Å²	158	104.6 Å²	104.6	81%	0.81	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.4	122.4	169.9	-61.5	174.1	0	0	0	106.2	L574 R578	L574-I576 PolarHBondContact O-N 3.27Å; I576-R578 PolarHBondContact O-N 3.29Å
577	S	48.3	Very low	58.7	Low	107 Å²	107	110.4 Å²	110.4	75%	0.748	59%	0.591	S	S	*	*			trans	-58.2	102.9	-178.6	57.8	0	0	0	0	109.5	A575 S579	A575-S577 PolarHBondContact O-N 2.57Å; A575-S577 VanDerWaalsContact O-N 3.11Å; S577-S579 PolarHBondContact O-N 2.82Å
578	R	30.9	Very low	55.5	Low	196 Å²	196	113.9 Å²	113.9	74%	0.74	62%	0.617	S	S	*	*			trans	-49.7	129	157	-68.1	172	113	113.6	0.6	105.8	I576 E582	I576-R578 PolarHBondContact O-N 3.29Å; R578-E582 IonicContact CZ-OE2 3.37Å; R578-E582 IonicContact NE-OE2 2.66Å; R578-E582 PolarHBondContact NE-OE2 2.74Å; R578-E582 IonicContact NH2-OE2 2.69Å; R578-E582 PolarHBondContact NH2-OE2 2.95Å
579	S	30.7	Very low	52.4	Low	72 Å²	72	119 Å²	119	50%	0.503	63%	0.629	S	S	.	*			trans	-60	152.2	-178.1	55.7	0	0	0	0	109.6	S577 D581 E582	S577-S579 PolarHBondContact O-N 2.82Å; S579-D581 WeakPolarHBondContact CB-OD2 3.3Å; S579-D581 PolarHBondContact O-N 2.86Å; S579-D581 PolarHBondContact OG-OD2 3.26Å; S579-E582 PolarHBondContact O-N 3.3Å
580	V	35.6	Very low	49.3	Very low	110 Å²	110	120.5 Å²	120.5	67%	0.667	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-13.4	-170.6	178.9	0	0	0	0	112.6	E582 L584	V580-E582 PolarHBondContact O-N 3.42Å; V580-L584 HydrophobicContact CG1-CD1 4.45Å
581	D	28.6	Very low	46.1	Very low	112 Å²	112	124.9 Å²	124.9	60%	0.599	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-39.5	175.2	-44.9	-65.4	0	0	0	114.7	S579 L584	S579-D581 WeakPolarHBondContact CB-OD2 3.3Å; S579-D581 PolarHBondContact O-N 2.86Å; S579-D581 PolarHBondContact OG-OD2 3.26Å; D581-L584 PolarHBondContact O-N 3.16Å
582	E	28.5	Very low	42.8	Very low	109 Å²	109	124.7 Å²	124.7	51%	0.509	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-30.3	-174.9	-82.4	-165.2	134	0	0	113.4	R578 S579 V580 S585	R578-E582 IonicContact CZ-OE2 3.37Å; R578-E582 IonicContact NE-OE2 2.66Å; R578-E582 PolarHBondContact NE-OE2 2.74Å; R578-E582 IonicContact NH2-OE2 2.69Å; R578-E582 PolarHBondContact NH2-OE2 2.95Å; S579-E582 PolarHBondContact O-N 3.3Å; V580-E582 PolarHBondContact O-N 3.42Å; E582-S585 PolarHBondContact O-OG 2.94Å
583	L	32	Very low	39.7	Very low	140 Å²	140	129.8 Å²	129.8	73%	0.733	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-77.2	-22.6	177.5	-105.7	80.9	0	0	0	113.6	S585	L583-S585 PolarHBondContact O-N 3.13Å; L583-S585 VanDerWaalsContact O-N 3.12Å
584	L	31.3	Very low	36.5	Very low	132 Å²	132	134.3 Å²	134.3	69%	0.691	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-72.1	-1.1	179.5	-70.7	169.8	0	0	0	113.8	V580 D581	V580-L584 HydrophobicContact CG1-CD1 4.45Å; D581-L584 PolarHBondContact O-N 3.16Å
585	S	27.5	Very low	33.6	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-83.4	-6	-177.2	65.2	0	0	0	0	115.5	E582 L583	E582-S585 PolarHBondContact O-OG 2.94Å; L583-S585 PolarHBondContact O-N 3.13Å; L583-S585 VanDerWaalsContact O-N 3.12Å
586	F	28.9	Very low	31	Very low	189 Å²	189	137.1 Å²	137.1	83%	0.829	73%	0.733	S	S	*	*	S	Bend	trans	-118.8	-8.5	-172.1	-110.1	-89.1	0	0	0	117.4
587	E	28.6	Very low	29.3	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	73%	0.729	S	S	*	*			trans	-116	73	176.1	-68.9	-158.4	132.8	0	0	112.8
588	S	27	Very low	28.2	Very low	104 Å²	104	137 Å²	137	73%	0.727	73%	0.734	S	S	*	*			trans	-127.4	47.9	170.5	75	0	0	0	0	112.4
589	K	29	Very low	28	Very low	197 Å²	197	134.2 Å²	134.2	86%	0.857	73%	0.732	S	S	*	*	S	Bend	trans	-138.7	81.1	170.8	-75.5	-167.7	177.3	177.3	0	112.2
590	N	26.8	Very low	27.7	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	74%	0.735	S	S	*	*			trans	13.8	103	160.4	-57.1	24.7	0	0	0	117.5
591	V	28.6	Very low	27.1	Very low	123 Å²	123	132.8 Å²	132.8	75%	0.745	73%	0.73	S	S	*	*			trans	-131.2	120.1	139.7	-175.8	0	0	0	0	106.6	I593	V591-I593 HydrophobicContact CG1-CD1 4.32Å; V591-I593 HydrophobicContact CG1-CG1 4.2Å; V591-I593 PolarHBondContact O-N 3.29Å
592	D	23.6	Very low	27.1	Very low	159 Å²	159	130 Å²	130	85%	0.85	72%	0.715	S	S	*	*			trans	-73.2	98.2	-179.6	-67.4	-68.1	0	0	0	110.9
593	I	28.3	Very low	27.1	Very low	137 Å²	137	127.6 Å²	127.6	70%	0.703	71%	0.71	S	S	*	*			trans	-130.3	127.9	167.3	-60.1	179.6	0	0	0	108.2	V591 S595	V591-I593 HydrophobicContact CG1-CD1 4.32Å; V591-I593 HydrophobicContact CG1-CG1 4.2Å; V591-I593 PolarHBondContact O-N 3.29Å; I593-S595 PolarHBondContact O-N 3.06Å; I593-S595 VanDerWaalsContact O-N 3.16Å
594	Q	25.3	Very low	26.9	Very low	196 Å²	196	123.9 Å²	123.9	92%	0.916	70%	0.699	S	S	*	*			trans	-70.1	107.6	179.4	-67.8	175.6	-38.3	0	0	110.6
595	S	25.7	Very low	26.9	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	68%	0.678	S	S	*	*			trans	-103.4	94	178.5	48.8	0	0	0	0	112	I593 S597	I593-S595 PolarHBondContact O-N 3.06Å; I593-S595 VanDerWaalsContact O-N 3.16Å; S595-S597 PolarHBondContact O-N 2.78Å
596	S	25.6	Very low	26.9	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	68%	0.682	S	S	*	*			trans	-73.8	74.3	169.7	43.5	0	0	0	0	111.5	N598	S596-N598 PolarHBondContact O-N 3.44Å
597	S	24.9	Very low	26.7	Very low	104 Å²	104	118.1 Å²	118.1	73%	0.727	67%	0.668	S	S	*	*			trans	-76.2	78	179.3	46	0	0	0	0	112.5	S595	S595-S597 PolarHBondContact O-N 2.78Å
598	N	25.5	Very low	26.6	Very low	159 Å²	159	114.3 Å²	114.3	85%	0.85	65%	0.652	S	S	*	*			trans	-160.8	74.9	162.4	-97.1	-23.7	0	0	0	109.4	S596	S596-N598 PolarHBondContact O-N 3.44Å
599	I	25.2	Very low	26.4	Very low	136 Å²	136	112.9 Å²	112.9	70%	0.697	64%	0.642	S	S	*	*			trans	-141	114	175.8	-56.7	-179.8	0	0	0	108.1
600	P	24.4	Very low	26.3	Very low	86 Å²	86	110 Å²	110	56%	0.558	63%	0.632	S	S	*	*			trans	-59.2	150.7	169.7	-23.6	34.9	0	0	0	112	D602	P600-D602 PolarHBondContact O-N 2.93Å
601	A	24.5	Very low	26.3	Very low	67 Å²	67	108.3 Å²	108.3	55%	0.554	62%	0.623	S	S	*	*	S	Bend	trans	-78.3	33.3	-171.3	0	0	0	0	0	114.8
602	D	28.8	Very low	26.3	Very low	54 Å²	54	109.6 Å²	109.6	29%	0.289	63%	0.625	S	S	.	*	S	Bend	trans	-88.1	134.3	-179.2	-66.6	-61.2	0	0	0	112.6	K144 P600 A604	K144-D602 PolarHBondContact NZ-O 2.71Å; P600-D602 PolarHBondContact O-N 2.93Å; D602-A604 VanDerWaalsContact C-N 3.34Å; D602-A604 WeakPolarHBondContact O-CB 3.12Å; D602-A604 PolarHBondContact O-N 2.87Å
603	S	28.5	Very low	26.6	Very low	58 Å²	58	112.3 Å²	112.3	41%	0.406	63%	0.625	S	S	.	*	S	Bend	trans	42.8	41.8	146.5	62.2	0	0	0	0	118	K144	K144-S603 WeakPolarHBondContact CE-O 3.25Å; K144-S603 WeakPolarHBondContact CE-OG 3.46Å; K144-S603 PolarHBondContact NZ-OG 2.93Å
604	A	27.3	Very low	26.4	Very low	62 Å²	62	113.3 Å²	113.3	51%	0.512	63%	0.632	S	S	.	*			trans	-140.2	79.4	-173.4	0	0	0	0	0	115.4	D602	D602-A604 VanDerWaalsContact C-N 3.34Å; D602-A604 WeakPolarHBondContact O-CB 3.12Å; D602-A604 PolarHBondContact O-N 2.87Å
605	T	30.7	Very low	26.5	Very low	39 Å²	39	111.3 Å²	111.3	24%	0.239	63%	0.628	C	S	.	*			trans	-85.7	104.9	130	32.3	0	0	0	0	108.8	Y482 V484 Y607	Y482-T605 HydrophobicContact CD1-CG2 4.27Å; Y482-T605 HydrophobicContact CE1-CG2 3.55Å; Y482-T605 WeakPolarHBondContact CE1-OG1 3.47Å; Y482-T605 PolarHBondContact OH-OG1 3.23Å; V484-T605 HydrophobicContact CG2-CG2 4.3Å; T605-Y607 PolarHBondContact O-N 3.17Å; T605-Y607 VanDerWaalsContact O-N 3.08Å
606	T	26.7	Very low	26.5	Very low	116 Å²	116	116.2 Å²	116.2	71%	0.712	64%	0.636	S	S	*	*			trans	-56.2	111.1	157.8	29.4	0	0	0	0	109	I608	T606-I608 PolarHBondContact O-N 3.11Å
607	Y	26.2	Very low	26.5	Very low	133 Å²	133	117.9 Å²	117.9	52%	0.522	64%	0.637	S	S	.	*			trans	-64.4	101.8	160.8	-86.1	-82.4	0	0	0	107.7	V484 T605 S609	V484-Y607 HydrophobicContact CG1-CE1 4.34Å; T605-Y607 PolarHBondContact O-N 3.17Å; T605-Y607 VanDerWaalsContact O-N 3.08Å; Y607-S609 PolarHBondContact O-N 3.04Å
608	I	25.7	Very low	26.6	Very low	113 Å²	113	119.4 Å²	119.4	58%	0.579	64%	0.642	S	S	*	*			trans	-62.6	118	163.3	-62.2	176.4	0	0	0	105.7	T606 Q610	T606-I608 PolarHBondContact O-N 3.11Å; I608-Q610 PolarHBondContact O-N 3.19Å
609	S	24.1	Very low	26.7	Very low	74 Å²	74	119.5 Å²	119.5	52%	0.517	64%	0.64	S	S	.	*			trans	-51.8	132.3	173.2	175	0	0	0	0	109.5	Y607 D611	Y607-S609 PolarHBondContact O-N 3.04Å; S609-D611 PolarHBondContact OG-N 3.48Å
610	Q	26.1	Very low	26.7	Very low	135 Å²	135	118.9 Å²	118.9	63%	0.631	64%	0.643	S	S	*	*	S	Bend	trans	-104.7	16	179.6	-161.2	143.5	85.9	0	0	111.9	I608	I608-Q610 PolarHBondContact O-N 3.19Å
611	D	27.1	Very low	26.8	Very low	116 Å²	116	121.9 Å²	121.9	62%	0.62	65%	0.654	S	S	*	*			trans	-85.6	-8.4	178.2	-64.3	-39.3	0	0	0	113.8	S609 Y613 N614	S609-D611 PolarHBondContact OG-N 3.48Å; D611-Y613 PolarHBondContact O-N 2.95Å; D611-N614 PolarHBondContact O-N 2.91Å
612	D	28.4	Very low	26.9	Very low	149 Å²	149	126.7 Å²	126.7	80%	0.797	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	45.3	170.8	-88.8	-21.3	0	0	0	113
613	Y	28.7	Very low	26.7	Very low	217 Å²	217	132.2 Å²	132.2	85%	0.851	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	9.3	168.4	-110.5	-79.4	0	0	0	114.2	D611	D611-Y613 PolarHBondContact O-N 2.95Å
614	N	25.4	Very low	26.6	Very low	158 Å²	158	139 Å²	139	85%	0.845	72%	0.723	S	S	*	*	S	Bend	trans	-145.4	46	173.4	-101.1	-25.9	0	0	0	114.8	D611	D611-N614 PolarHBondContact O-N 2.91Å
615	N	26.3	Very low	26.6	Very low	153 Å²	153	147.4 Å²	147.4	82%	0.818	74%	0.741	S	S	*	*			trans	-140.6	77.2	158.7	-106	-27	0	0	0	111.9	D617	N615-D617 VanDerWaalsContact C-N 3.34Å; N615-D617 PolarHBondContact O-N 3.1Å
616	K	26.4	Very low	26.6	Very low	204 Å²	204	150.3 Å²	150.3	89%	0.887	76%	0.763	S	S	*	*			trans	-85.7	82.6	156.1	-82.9	-175	175.1	178.9	0	108.5
617	D	26.4	Very low	26.5	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	77%	0.767	S	S	*	*			trans	177.2	164.2	145.5	-89	-22.9	0	0	0	108.2	N615	N615-D617 VanDerWaalsContact C-N 3.34Å; N615-D617 PolarHBondContact O-N 3.1Å
618	V	26.8	Very low	26.7	Very low	136 Å²	136	152.6 Å²	152.6	82%	0.824	78%	0.783	S	S	*	*			trans	64.7	67.4	-176.7	-161.8	0	0	0	0	114.7
619	I	27.8	Very low	26.8	Very low	161 Å²	161	152.1 Å²	152.1	83%	0.826	79%	0.79	S	S	*	*				-147.8	95.7	116	-91.5	150.9	0	0	0	106.8
620	T	24.2	Very low	27.1	Very low	122 Å²	122	154.2 Å²	154.2	75%	0.748	81%	0.805	S	S	*	*			trans	-92.5	153.2	152.1	35.9	0	0	0	0	107.9
621	N	26.1	Very low	27	Very low	149 Å²	149	156.4 Å²	156.4	80%	0.797	82%	0.815	S	S	*	*	S	Bend	trans	66.2	79.1	175.8	-48.9	-21.9	0	0	0	116
622	I	27.1	Very low	27	Very low	168 Å²	168	159.2 Å²	159.2	86%	0.862	83%	0.828	S	S	*	*	S	Bend		-164.7	77.2	127.4	-88.7	143.9	0	0	0	106.5
623	L	24.1	Very low	26.9	Very low	170 Å²	170	157.4 Å²	157.4	89%	0.89	82%	0.823	S	S	*	*			trans	-158.5	29.8	171.2	-120.2	167	0	0	0	113.9
624	E	26.5	Very low	26.8	Very low	200 Å²	200	154.1 Å²	154.1	94%	0.935	82%	0.82	S	S	*	*			trans	-103.4	81.3	168.9	-73	-156.2	138.4	0	0	111.7
625	R	28.7	Very low	26.9	Very low	239 Å²	239	151.7 Å²	151.7	90%	0.902	82%	0.815	S	S	*	*			trans	-147.1	119	141.9	-133.2	170.3	-175.3	164	2.4	111.9
626	S	28.9	Very low	26.9	Very low	101 Å²	101	151.6 Å²	151.6	71%	0.706	81%	0.813	S	S	*	*			trans	-46.5	139	176.8	43	0	0	0	0	113.2
627	S	26.7	Very low	26.8	Very low	112 Å²	112	149.6 Å²	149.6	78%	0.783	81%	0.811	S	S	*	*			cis	80.9	114	36.9	87	0	0	0	0	115.5
628	Q	29.4	Very low	26.8	Very low	184 Å²	184	146.6 Å²	146.6	86%	0.86	81%	0.814	S	S	*	*			trans	-164.9	107	156.4	-103.8	177.2	9.5	0	0	105.1
629	S	28.6	Very low	26.6	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	82%	0.815	S	S	*	*				70.6	130.4	93	69.9	0	0	0	0	113.9
630	S	29.8	Very low	26.5	Very low	119 Å²	119	147.2 Å²	147.2	83%	0.832	81%	0.814	S	S	*	*			cis	-158.8	179	6.3	47.7	0	0	0	0	112.6
631	Q	23.5	Very low	26.4	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	82%	0.819	S	S	*	*			trans	-82.6	162.4	-173.4	-57.1	159.6	-38	0	0	114.1
632	I	27.3	Very low	26.3	Very low	175 Å²	175	146.9 Å²	146.9	90%	0.897	82%	0.815	S	S	*	*			trans	-162.8	159.8	135	-102.4	154.7	0	0	0	109.6
633	T	26.2	Very low	26.4	Very low	112 Å²	112	145.3 Å²	145.3	69%	0.687	81%	0.814	S	S	*	*			trans	-118.2	152.4	-157.8	49.5	0	0	0	0	116
634	N	25.8	Very low	26.5	Very low	148 Å²	148	147.1 Å²	147.1	79%	0.791	81%	0.814	S	S	*	*			trans	45.4	123.5	149	-54.3	-13.7	0	0	0	119.1
635	S	28.1	Very low	26.6	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	81%	0.81	S	S	*	*				174.4	135.4	68.1	40.1	0	0	0	0	115.1
636	I	26.3	Very low	26.5	Very low	150 Å²	150	142.3 Å²	142.3	77%	0.769	80%	0.804	S	S	*	*			trans	48.2	117.7	132.2	-57.9	-179.8	0	0	0	121.9
637	L	25.4	Very low	26.4	Very low	163 Å²	163	148.6 Å²	148.6	85%	0.853	81%	0.814	S	S	*	*			trans	65.2	122.6	151.3	-73.6	166.8	0	0	0	122.1
638	G	25.4	Very low	26.4	Very low	79 Å²	79	149.2 Å²	149.2	81%	0.814	81%	0.813	S	S	*	*			trans	176.2	92.8	161.3	0	0	0	0	0	112.9
639	F	23	Very low	26.4	Very low	195 Å²	195	148.1 Å²	148.1	86%	0.855	81%	0.811	S	S	*	*			trans	-77.3	151	178.6	-98.1	-86.3	0	0	0	113.1
640	S	24.8	Very low	26.2	Very low	115 Å²	115	150.4 Å²	150.4	80%	0.804	81%	0.814	S	S	*	*			trans	-133.6	145.9	153.4	-173.1	0	0	0	0	109.4
641	L	22.7	Very low	26.2	Very low	163 Å²	163	150 Å²	150	85%	0.853	81%	0.811	S	S	*	*			trans	-132.4	103.7	-170.1	-177.5	89.8	0	0	0	110.7
642	S	24.9	Very low	26.4	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	81%	0.809	S	S	*	*			trans	-167.8	108.7	163.9	46.5	0	0	0	0	113.5
643	T	28.5	Very low	26.5	Very low	136 Å²	136	149.5 Å²	149.5	83%	0.834	81%	0.81	S	S	*	*			trans	-176.9	89	136.6	17.6	0	0	0	0	110.6
644	F	25.2	Very low	26.7	Very low	207 Å²	207	150.1 Å²	150.1	91%	0.908	81%	0.814	S	S	*	*			trans	-92.6	130.7	151.6	-100	-92.5	0	0	0	107.6
645	K	29.8	Very low	27	Very low	196 Å²	196	148 Å²	148	85%	0.852	81%	0.81	S	S	*	*			trans	-114.2	130.6	165.8	-91.6	-173.9	172.1	-178.5	0	108.2
646	N	26.5	Very low	27.2	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.3	144.8	176.4	-62.2	-13.8	0	0	0	110.4
647	Y	26.7	Very low	27.4	Very low	233 Å²	233	148.3 Å²	148.3	91%	0.914	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-102.2	123	150.6	-96.9	-82.4	0	0	0	108.1
648	T	26.4	Very low	27.7	Very low	124 Å²	124	146.7 Å²	146.7	76%	0.761	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-94.5	121	173.8	45.2	0	0	0	0	109.5
649	I	28.9	Very low	27.9	Very low	162 Å²	162	149.2 Å²	149.2	83%	0.831	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.9	139.9	170.7	-66.2	176	0	0	0	109.3
650	I	24	Very low	28.4	Very low	150 Å²	150	148.7 Å²	148.7	77%	0.769	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.8	129	178.3	-62.3	168.9	0	0	0	109.4
651	S	31	Very low	28.6	Very low	111 Å²	111	148 Å²	148	78%	0.776	78%	0.783	S	S	*	*			trans	-144.8	129.1	157.1	52	0	0	0	0	108.5
652	N	26.5	Very low	29.1	Very low	150 Å²	150	149.1 Å²	149.1	80%	0.802	78%	0.783	S	S	*	*			trans	-87.8	133.6	175.3	-71.5	-31.2	0	0	0	109.1
653	E	30.9	Very low	29.4	Very low	195 Å²	195	150.4 Å²	150.4	91%	0.911	78%	0.782	S	S	*	*			trans	-157.4	165.8	141.3	-122.2	168.9	-144	0	0	111
654	T	29.5	Very low	29.4	Very low	125 Å²	125	149 Å²	149	77%	0.767	77%	0.774	S	S	*	*			trans	-125.9	144.2	-150.7	51.6	0	0	0	0	116.1
655	S	32.2	Very low	29.7	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	77%	0.766	S	S	*	*			trans	89.5	136.5	145.1	82.1	0	0	0	0	121.3
656	N	31.7	Very low	29.5	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	76%	0.762	S	S	*	*			trans	68	101.6	137.8	-66.9	-4.9	0	0	0	123
657	N	31.1	Very low	29.6	Very low	131 Å²	131	147 Å²	147	70%	0.701	76%	0.763	S	S	*	*				89.5	140.9	111.8	-71.8	-9	0	0	0	123.2
658	N	31.9	Very low	29.7	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	75%	0.752	S	S	*	*			trans	82.2	99.7	148	-64.5	-11.3	0	0	0	121
659	N	29.8	Very low	29.6	Very low	131 Å²	131	143.2 Å²	143.2	70%	0.701	75%	0.747	S	S	*	*				53.6	118.4	119.5	-54.8	-14.5	0	0	0	120
660	H	33.4	Very low	29.5	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.856	74%	0.743	S	S	*	*				-154.2	155.6	94.6	-114.8	-77.5	0	0	0	112.9
661	T	28.5	Very low	29.8	Very low	100 Å²	100	146.6 Å²	146.6	61%	0.613	75%	0.75	S	S	*	*			trans	-126.8	139.5	-171.1	47.5	0	0	0	0	113.1
662	H	33.5	Very low	29.6	Very low	187 Å²	187	150.9 Å²	150.9	87%	0.866	76%	0.755	S	S	*	*			trans	-147.4	113.4	145.4	-84.4	-77.5	0	0	0	105.5
663	N	30.6	Very low	29.7	Very low	127 Å²	127	154.1 Å²	154.1	68%	0.679	76%	0.762	S	S	*	*				52.3	128.4	61.3	-71.2	2.5	0	0	0	112.4
664	T	30.4	Very low	29.6	Very low	108 Å²	108	148.3 Å²	148.3	66%	0.663	75%	0.753	S	S	*	*			cis	-165.1	164	0.7	9.6	0	0	0	0	106.7
665	N	30.2	Very low	29.5	Very low	140 Å²	140	150.3 Å²	150.3	75%	0.749	76%	0.76	S	S	*	*			cis	-160.5	166.8	45.9	-105.4	-43.4	0	0	0	111.8
666	Q	25.3	Very low	29.3	Very low	164 Å²	164	153.4 Å²	153.4	77%	0.766	77%	0.767	S	S	*	*			trans	-101.4	179.6	168.3	-67.8	178.5	-70.8	0	0	112.4
667	Y	29.7	Very low	29.2	Very low	198 Å²	198	157.1 Å²	157.1	78%	0.776	77%	0.773	S	S	*	*			trans	122.8	135.1	149.4	-64.8	-63.1	0	0	0	113.1
668	Q	27.9	Very low	29.1	Very low	145 Å²	145	158.9 Å²	158.9	68%	0.678	78%	0.781	S	S	*	*			cis	177.9	160.4	-29.8	-129	-169.1	1.7	0	0	106.7
669	M	25.6	Very low	29	Very low	133 Å²	133	162 Å²	162	66%	0.655	79%	0.791	S	S	*	*			trans	72.4	116.5	150.9	-68.3	-70	178.3	0	0	122.4
670	N	26.6	Very low	29	Very low	140 Å²	140	163.1 Å²	163.1	75%	0.749	80%	0.796	S	S	*	*			trans	72.2	137.1	139.2	-59.9	-35.4	0	0	0	119.7
671	R	29.7	Very low	28.8	Very low	243 Å²	243	164.7 Å²	164.7	92%	0.917	80%	0.8	S	S	*	*			cis	-140.2	160	34.4	-82.9	-179.2	159.7	155.6	-4.8	115.3
672	K	25.9	Very low	29	Very low	202 Å²	202	163.3 Å²	163.3	88%	0.878	81%	0.806	S	S	*	*			trans	-79.7	134.7	166.7	-61.3	175.8	178.7	177.9	0	112.2
673	K	30.1	Very low	29.2	Very low	218 Å²	218	161.4 Å²	161.4	95%	0.948	81%	0.807	S	S	*	*			trans	-173.5	136.2	143.5	-108.1	178.9	179.8	-174.8	0	108.1
674	G	29.1	Very low	29.5	Very low	72 Å²	72	162.2 Å²	162.2	74%	0.742	81%	0.812	S	S	*	*			trans	139.4	24.1	176.5	0	0	0	0	0	118.9	L676	G674-L676 PolarHBondContact O-N 2.83Å
675	N	26.1	Very low	29.8	Very low	168 Å²	168	167 Å²	167	90%	0.898	82%	0.823	S	S	*	*			trans	-68.2	93.5	166.8	-82.1	10.9	0	0	0	110.3
676	L	27.9	Very low	30.4	Very low	166 Å²	166	169.5 Å²	169.5	87%	0.869	83%	0.83	S	S	*	*	S	Bend	trans	-169.1	32.2	148.1	-148.8	73.1	0	0	0	115.9	G674	G674-L676 PolarHBondContact O-N 2.83Å
677	Y	29.8	Very low	31.8	Very low	211 Å²	211	167.7 Å²	167.7	83%	0.827	83%	0.825	S	S	*	*			trans	-151	42.2	175.5	-135.7	-89	0	0	0	116
678	I	29	Very low	33.6	Very low	169 Å²	169	163.1 Å²	163.1	87%	0.867	81%	0.814	S	S	*	*			trans	-124.7	80.6	177.1	-52.6	-179.7	0	0	0	110.4
679	Q	30.3	Very low	35.8	Very low	196 Å²	196	162.5 Å²	162.5	92%	0.916	81%	0.814	S	S	*	*	S	Bend	trans	-158	1.4	163.1	-126	173.1	4.3	0	0	115.8
680	L	29.1	Very low	38.1	Very low	154 Å²	154	165.7 Å²	165.7	81%	0.806	82%	0.819	S	S	*	*	S	Bend	trans	-129.5	13.7	-167.6	-97.8	165.3	0	0	0	116.6
681	K	29	Very low	40.4	Very low	217 Å²	217	164.2 Å²	164.2	94%	0.943	81%	0.81	S	S	*	*	S	Bend	trans	-134.4	98.7	168.1	-82.7	-172.4	174.3	177.7	0	111.3
682	G	33.3	Very low	42.6	Very low	71 Å²	71	157.9 Å²	157.9	73%	0.732	79%	0.794	S	S	*	*			trans	-168.9	-35.7	176.9	0	0	0	0	0	112.1	N684	G682-N684 VanDerWaalsContact C-N 3.27Å; G682-N684 PolarHBondContact O-N 2.85Å
683	V	37.3	Very low	45.3	Very low	148 Å²	148	150.2 Å²	150.2	90%	0.897	77%	0.768	S	S	*	*			trans	-74.1	75.5	172.4	-171.5	0	0	0	0	110.5
684	N	36.4	Very low	47.9	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	75%	0.745	S	S	*	*			trans	-157.8	32.4	166.4	-124	-8.9	0	0	0	114.5	G682	G682-N684 VanDerWaalsContact C-N 3.27Å; G682-N684 PolarHBondContact O-N 2.85Å
685	K	38.1	Very low	50.6	Low	207 Å²	207	144 Å²	144	90%	0.9	73%	0.733	S	S	*	*	S	Bend	trans	-133.3	20.2	173	-99.1	-169.5	174.3	-173.4	0	114.2
686	Q	42.8	Very low	53.4	Low	193 Å²	193	140.1 Å²	140.1	90%	0.902	72%	0.715	S	S	*	*			trans	-133	36.9	-179.3	-88.8	-179.8	-33.3	0	0	113
687	I	55.1	Low	56.2	Low	127 Å²	127	136 Å²	136	65%	0.651	70%	0.699	S	S	*	*			trans	-115.9	105.6	166.1	-60	177.5	0	0	0	107.3	I689	I687-I689 PolarHBondContact O-N 3.5Å
688	N	65.9	Low	59	Low	101 Å²	101	130.5 Å²	130.5	54%	0.54	68%	0.683	S	S	.	*			trans	-77.2	102.3	172.6	-175.7	-0.3	0	0	0	109	W690 L691 L692	N688-W690 PolarHBondContact O-N 3.37Å; N688-W690 WeakPolarHBondContact OD1-CB 3.49Å; N688-W690 PolarHBondContact OD1-N 3.18Å; N688-L691 HydrophobicContact CB-CB 4.08Å; N688-L691 WeakPolarHBondContact O-CB 3.46Å; N688-L691 PolarHBondContact O-N 2.69Å; N688-L692 PolarHBondContact O-N 3.4Å
689	I	74.4	Confident	61.7	Low	132 Å²	132	126 Å²	126	68%	0.677	67%	0.667	S	S	*	*	H	α-helix	trans	-56.8	-33.2	-178.6	-70.1	170.7	0	0	0	111.7	I687 L692 A693	I687-I689 PolarHBondContact O-N 3.5Å; I689-L692 PolarHBondContact O-N 2.83Å; I689-A693 PolarHBondContact O-N 3.28Å
690	W	74.2	Confident	64.7	Low	201 Å²	201	122 Å²	122	76%	0.761	65%	0.651	S	S	*	*	H	α-helix	trans	-65.8	-37	175.2	-73.7	94.6	0	0	0	113	N688 L692 A693 C694	N688-W690 PolarHBondContact O-N 3.37Å; N688-W690 WeakPolarHBondContact OD1-CB 3.49Å; N688-W690 PolarHBondContact OD1-N 3.18Å; W690-L692 VanDerWaalsContact C-N 3.31Å; W690-L692 PolarHBondContact O-N 3.37Å; W690-A693 PolarHBondContact O-N 2.89Å; W690-C694 PolarHBondContact O-N 3.46Å; W690-C694 PolarHBondContact O-SG 2.93Å
691	L	75	Confident	67.6	Low	109 Å²	109	118.3 Å²	118.3	57%	0.571	64%	0.635	S	S	*	*	H	α-helix	trans	-63.2	-41.5	176.2	-173.2	70.6	0	0	0	110.8	N688 C694 L695	N688-L691 HydrophobicContact CB-CB 4.08Å; N688-L691 WeakPolarHBondContact O-CB 3.46Å; N688-L691 PolarHBondContact O-N 2.69Å; L691-C694 PolarHBondContact O-N 2.71Å; L691-L695 HydrophobicContact CG-CD1 4.33Å; L691-L695 WeakPolarHBondContact O-CG 3.3Å; L691-L695 PolarHBondContact O-N 3.36Å
692	L	76.3	Confident	70.5	Confident	110 Å²	110	113.1 Å²	113.1	58%	0.576	62%	0.616	S	S	*	*	H	α-helix	trans	-66.3	-39.6	177	-160.2	72	0	0	0	111.6	N688 I689 W690 L695 T696	N688-L692 PolarHBondContact O-N 3.4Å; I689-L692 PolarHBondContact O-N 2.83Å; W690-L692 VanDerWaalsContact C-N 3.31Å; W690-L692 PolarHBondContact O-N 3.37Å; L692-L695 PolarHBondContact O-N 2.83Å; L692-T696 PolarHBondContact O-N 3.41Å; L692-T696 PolarHBondContact O-OG1 3.49Å
693	A	82.4	Confident	73.2	Confident	41 Å²	41	116.5 Å²	116.5	34%	0.339	61%	0.611	S	S	.	*	H	α-helix	trans	-65.7	-39	174.9	0	0	0	0	0	112.9	I689 W690 T696 C697	I689-A693 PolarHBondContact O-N 3.28Å; W690-A693 PolarHBondContact O-N 2.89Å; A693-T696 PolarHBondContact O-OG1 3.07Å; A693-C697 WeakPolarHBondContact O-CB 3.43Å; A693-C697 PolarHBondContact O-N 2.88Å; A693-C697 PolarHBondContact O-SG 3.17Å
694	C	83.5	Confident	75.8	Confident	68 Å²	68	114.1 Å²	114.1	46%	0.459	59%	0.593	S	S	.	*	H	α-helix	trans	-64.1	-42.4	172.9	-68.6	0	0	0	0	111.7	W690 L691 C697 I698	W690-C694 PolarHBondContact O-N 3.46Å; W690-C694 PolarHBondContact O-SG 2.93Å; L691-C694 PolarHBondContact O-N 2.71Å; C694-C697 PolarHBondContact O-N 3.25Å; C694-I698 VanDerWaalsContact O-CG1 3.32Å; C694-I698 WeakPolarHBondContact O-CG1 3.41Å; C694-I698 PolarHBondContact O-N 3.48Å
695	L	86.5	Confident	78.3	Confident	92 Å²	92	114 Å²	114	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-65.4	-37.6	178.4	-73	168.3	0	0	0	112.9	L691 L692 S699	L691-L695 HydrophobicContact CG-CD1 4.33Å; L691-L695 WeakPolarHBondContact O-CG 3.3Å; L691-L695 PolarHBondContact O-N 3.36Å; L692-L695 PolarHBondContact O-N 2.83Å; L695-S699 WeakPolarHBondContact O-CB 3.38Å; L695-S699 PolarHBondContact O-N 3.03Å; L695-S699 PolarHBondContact O-OG 3Å
696	T	86.1	Confident	80.8	Confident	85 Å²	85	109.9 Å²	109.9	52%	0.521	57%	0.573	S	S	.	*	H	α-helix	trans	-69.8	-37.8	174.2	54.3	0	0	0	0	111.6	L692 A693 S699 L700	L692-T696 PolarHBondContact O-N 3.41Å; L692-T696 PolarHBondContact O-OG1 3.49Å; A693-T696 PolarHBondContact O-OG1 3.07Å; T696-S699 PolarHBondContact O-N 3.4Å; T696-L700 WeakPolarHBondContact O-CB 3.31Å; T696-L700 PolarHBondContact O-N 3.45Å
697	C	85.4	Confident	83	Confident	79 Å²	79	104.1 Å²	104.1	53%	0.534	55%	0.55	S	S	.	*	H	α-helix	trans	-62.4	-46.1	173.6	-68.1	0	0	0	0	112.3	A693 C694 S699 L700 V701	A693-C697 WeakPolarHBondContact O-CB 3.43Å; A693-C697 PolarHBondContact O-N 2.88Å; A693-C697 PolarHBondContact O-SG 3.17Å; C694-C697 PolarHBondContact O-N 3.25Å; C697-S699 VanDerWaalsContact C-N 3.34Å; C697-S699 PolarHBondContact O-N 2.66Å; C697-L700 PolarHBondContact O-N 3.49Å; C697-V701 WeakPolarHBondContact O-CG2 3.4Å; C697-V701 PolarHBondContact O-N 3.07Å
698	I	89.1	Confident	84.6	Confident	97 Å²	97	104.3 Å²	104.3	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.7	-69.1	163.3	0	0	0	110.8	C694 L700 V701 L702	C694-I698 VanDerWaalsContact O-CG1 3.32Å; C694-I698 WeakPolarHBondContact O-CG1 3.41Å; C694-I698 PolarHBondContact O-N 3.48Å; I698-L700 VanDerWaalsContact C-N 3.28Å; I698-L700 PolarHBondContact O-N 3.36Å; I698-V701 PolarHBondContact O-N 3.14Å; I698-L702 HydrophobicContact CG2-CD1 4.03Å; I698-L702 WeakPolarHBondContact O-CG 3.38Å; I698-L702 PolarHBondContact O-N 3.19Å
699	S	86.5	Confident	85.4	Confident	75 Å²	75	104.7 Å²	104.7	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-59.1	-39.4	176.4	-57.1	0	0	0	0	112.2	L695 T696 C697 L702 F703	L695-S699 WeakPolarHBondContact O-CB 3.38Å; L695-S699 PolarHBondContact O-N 3.03Å; L695-S699 PolarHBondContact O-OG 3Å; T696-S699 PolarHBondContact O-N 3.4Å; C697-S699 VanDerWaalsContact C-N 3.34Å; C697-S699 PolarHBondContact O-N 2.66Å; S699-L702 PolarHBondContact O-N 3.07Å; S699-F703 WeakPolarHBondContact O-CB 3.26Å; S699-F703 PolarHBondContact O-N 3.42Å
700	L	91.4	Very high	86.1	Confident	111 Å²	111	101.3 Å²	101.3	58%	0.581	54%	0.54	S	S	*	.	H	α-helix	trans	-72.5	-38	-179.4	-163	146.2	0	0	0	112	T696 C697 I698 F703 I704	T696-L700 WeakPolarHBondContact O-CB 3.31Å; T696-L700 PolarHBondContact O-N 3.45Å; C697-L700 PolarHBondContact O-N 3.49Å; I698-L700 VanDerWaalsContact C-N 3.28Å; I698-L700 PolarHBondContact O-N 3.36Å; L700-F703 PolarHBondContact O-N 3.12Å; L700-I704 HydrophobicContact CD2-CD1 3.71Å; L700-I704 HydrophobicContact CD2-CG1 4.47Å; L700-I704 WeakPolarHBondContact O-CG1 3.39Å; L700-I704 PolarHBondContact O-N 3.47Å
701	V	91.1	Very high	86.8	Confident	77 Å²	77	98.7 Å²	98.7	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-44.7	171.5	172.5	0	0	0	0	111.3	C697 I698 F703 I704 F705	C697-V701 WeakPolarHBondContact O-CG2 3.4Å; C697-V701 PolarHBondContact O-N 3.07Å; I698-V701 PolarHBondContact O-N 3.14Å; V701-F703 VanDerWaalsContact C-N 3.29Å; V701-F703 PolarHBondContact O-N 3.48Å; V701-I704 PolarHBondContact O-N 2.91Å; V701-F705 HydrophobicContact CG1-CD2 4.08Å; V701-F705 HydrophobicContact CG1-CE2 4.3Å; V701-F705 PolarHBondContact O-N 3.28Å
702	L	90.1	Very high	87	Confident	107 Å²	107	99.5 Å²	99.5	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-38.1	175.1	-72.9	170.8	0	0	0	111.9	I698 S699 F705 L706	I698-L702 HydrophobicContact CG2-CD1 4.03Å; I698-L702 WeakPolarHBondContact O-CG 3.38Å; I698-L702 PolarHBondContact O-N 3.19Å; S699-L702 PolarHBondContact O-N 3.07Å; L702-F705 PolarHBondContact O-N 2.97Å; L702-L706 PolarHBondContact O-N 3.22Å
703	F	90.4	Very high	87.1	Confident	143 Å²	143	98 Å²	98	63%	0.627	53%	0.528	S	S	*	.	H	α-helix	trans	-67.8	-35.7	176.1	-156.5	-88.5	0	0	0	112.8	S699 L700 V701 L706 T707	S699-F703 WeakPolarHBondContact O-CB 3.26Å; S699-F703 PolarHBondContact O-N 3.42Å; L700-F703 PolarHBondContact O-N 3.12Å; V701-F703 VanDerWaalsContact C-N 3.29Å; V701-F703 PolarHBondContact O-N 3.48Å; F703-L706 PolarHBondContact O-N 2.92Å; F703-T707 HydrophobicContact CD1-CG2 3.94Å; F703-T707 HydrophobicContact CE1-CG2 3.75Å; F703-T707 WeakPolarHBondContact O-CB 3.5Å; F703-T707 WeakPolarHBondContact O-CG2 3.35Å; F703-T707 PolarHBondContact O-N 2.88Å; F703-T707 PolarHBondContact O-OG1 3.42Å
704	I	91.7	Very high	87	Confident	98 Å²	98	102 Å²	102	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-65.7	-43.7	172.2	-69.6	167.1	0	0	0	110.6	L700 V701 L706 T707 F708	L700-I704 HydrophobicContact CD2-CD1 3.71Å; L700-I704 HydrophobicContact CD2-CG1 4.47Å; L700-I704 WeakPolarHBondContact O-CG1 3.39Å; L700-I704 PolarHBondContact O-N 3.47Å; V701-I704 PolarHBondContact O-N 2.91Å; I704-L706 PolarHBondContact O-N 3.37Å; I704-T707 WeakPolarHBondContact CA-OG1 3.4Å; I704-T707 PolarHBondContact O-N 3.28Å; I704-T707 PolarHBondContact O-OG1 3.44Å; I704-T707 VanDerWaalsContact O-OG1 3.07Å; I704-F708 WeakPolarHBondContact O-CB 3.45Å; I704-F708 PolarHBondContact O-N 2.94Å
705	F	89.2	Confident	86.7	Confident	141 Å²	141	104.5 Å²	104.5	62%	0.618	54%	0.54	S	S	*	.	H	α-helix	trans	-62.9	-41.5	174.7	-95	-85.8	0	0	0	112.5	V701 L702 F708 L709	V701-F705 HydrophobicContact CG1-CD2 4.08Å; V701-F705 HydrophobicContact CG1-CE2 4.3Å; V701-F705 PolarHBondContact O-N 3.28Å; L702-F705 PolarHBondContact O-N 2.97Å; F705-F708 PolarHBondContact O-N 2.84Å; F705-L709 WeakPolarHBondContact O-CB 3.29Å; F705-L709 PolarHBondContact O-N 2.85Å
706	L	89	Confident	86	Confident	121 Å²	121	103.6 Å²	103.6	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-64.9	-43	176.5	-120.1	76	0	0	0	112.3	L702 F703 I704 L709 A710	L702-L706 PolarHBondContact O-N 3.22Å; F703-L706 PolarHBondContact O-N 2.92Å; I704-L706 PolarHBondContact O-N 3.37Å; L706-L709 PolarHBondContact O-N 2.85Å; L706-A710 VanDerWaalsContact O-CB 3.29Å; L706-A710 WeakPolarHBondContact O-CB 3.34Å; L706-A710 PolarHBondContact O-N 3.45Å
707	T	89	Confident	85.4	Confident	71 Å²	71	106.3 Å²	106.3	44%	0.436	54%	0.543	S	S	.	.	H	α-helix	trans	-69.2	-35.4	178	50.1	0	0	0	0	112	F703 I704 Y711	F703-T707 HydrophobicContact CD1-CG2 3.94Å; F703-T707 HydrophobicContact CE1-CG2 3.75Å; F703-T707 WeakPolarHBondContact O-CB 3.5Å; F703-T707 WeakPolarHBondContact O-CG2 3.35Å; F703-T707 PolarHBondContact O-N 2.88Å; F703-T707 PolarHBondContact O-OG1 3.42Å; I704-T707 WeakPolarHBondContact CA-OG1 3.4Å; I704-T707 PolarHBondContact O-N 3.28Å; I704-T707 PolarHBondContact O-OG1 3.44Å; I704-T707 VanDerWaalsContact O-OG1 3.07Å; T707-Y711 VanDerWaalsContact O-CB 3.26Å; T707-Y711 WeakPolarHBondContact O-CB 3.49Å; T707-Y711 PolarHBondContact O-N 2.81Å
708	F	89	Confident	84.7	Confident	131 Å²	131	108.6 Å²	108.6	58%	0.575	54%	0.541	S	S	*	.	H	α-helix	trans	-66.3	-40.5	171.6	-171	-98.6	0	0	0	112.6	I704 F705 Y711 K712	I704-F708 WeakPolarHBondContact O-CB 3.45Å; I704-F708 PolarHBondContact O-N 2.94Å; F705-F708 PolarHBondContact O-N 2.84Å; F708-Y711 PolarHBondContact O-N 3.45Å; F708-K712 WeakPolarHBondContact O-CB 3.29Å; F708-K712 PolarHBondContact O-N 3.19Å
709	L	84	Confident	83.5	Confident	109 Å²	109	107.9 Å²	107.9	57%	0.571	54%	0.538	S	S	*	.	H	α-helix	trans	-67.1	-43	176.3	-160	75.7	0	0	0	111.4	F705 L706 K712 C713	F705-L709 WeakPolarHBondContact O-CB 3.29Å; F705-L709 PolarHBondContact O-N 2.85Å; L706-L709 PolarHBondContact O-N 2.85Å; L709-K712 PolarHBondContact O-N 3.26Å; L709-C713 WeakPolarHBondContact O-CB 3.32Å; L709-C713 PolarHBondContact O-N 3.34Å; L709-C713 PolarHBondContact O-SG 2.96Å
710	A	87.6	Confident	82.1	Confident	61 Å²	61	110.1 Å²	110.1	50%	0.504	54%	0.544	S	S	.	.	H	α-helix	trans	-62.2	-42.4	174	0	0	0	0	0	111.8	L706 C713 H714	L706-A710 VanDerWaalsContact O-CB 3.29Å; L706-A710 WeakPolarHBondContact O-CB 3.34Å; L706-A710 PolarHBondContact O-N 3.45Å; A710-C713 PolarHBondContact O-N 3.49Å; A710-H714 WeakPolarHBondContact O-CB 3.4Å; A710-H714 PolarHBondContact O-N 2.79Å
711	Y	89.6	Confident	80.1	Confident	146 Å²	146	110 Å²	110	57%	0.573	54%	0.544	S	S	*	.	H	α-helix	trans	-60.4	-46.5	172.9	175.2	-96.3	0	0	0	111.5	T707 F708 C713 H714 Y715	T707-Y711 VanDerWaalsContact O-CB 3.26Å; T707-Y711 WeakPolarHBondContact O-CB 3.49Å; T707-Y711 PolarHBondContact O-N 2.81Å; F708-Y711 PolarHBondContact O-N 3.45Å; Y711-C713 PolarHBondContact O-N 3.4Å; Y711-H714 PolarHBondContact O-N 3.21Å; Y711-Y715 VanDerWaalsContact O-CB 3.3Å; Y711-Y715 WeakPolarHBondContact O-CB 3.45Å; Y711-Y715 PolarHBondContact O-N 3.07Å
712	K	79	Confident	78	Confident	126 Å²	126	112.1 Å²	112.1	55%	0.548	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-41.2	179.1	-165.7	174.6	-176.8	179.9	0	112	F708 L709 Y715 T716	F708-K712 WeakPolarHBondContact O-CB 3.29Å; F708-K712 PolarHBondContact O-N 3.19Å; L709-K712 PolarHBondContact O-N 3.26Å; K712-Y715 PolarHBondContact O-N 2.88Å; K712-T716 PolarHBondContact O-N 2.87Å; K712-T716 PolarHBondContact O-OG1 3.41Å
713	C	77.7	Confident	75.5	Confident	78 Å²	78	117.7 Å²	117.7	53%	0.527	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-37.8	172.9	-74.5	0	0	0	0	113	L709 A710 Y711 T716 K717	L709-C713 WeakPolarHBondContact O-CB 3.32Å; L709-C713 PolarHBondContact O-N 3.34Å; L709-C713 PolarHBondContact O-SG 2.96Å; A710-C713 PolarHBondContact O-N 3.49Å; Y711-C713 PolarHBondContact O-N 3.4Å; C713-T716 PolarHBondContact O-OG1 2.93Å; C713-T716 VanDerWaalsContact O-OG1 3.14Å; C713-K717 VanDerWaalsContact O-CB 3.31Å; C713-K717 WeakPolarHBondContact O-CB 3.46Å; C713-K717 PolarHBondContact O-N 3.49Å; C713-K717 VanDerWaalsContact O-N 3.07Å
714	H	80.4	Confident	72.6	Confident	125 Å²	125	115 Å²	115	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-67.4	-38.3	174	-170	-84.8	0	0	0	111.3	A710 Y711 K717 Y718	A710-H714 WeakPolarHBondContact O-CB 3.4Å; A710-H714 PolarHBondContact O-N 2.79Å; Y711-H714 PolarHBondContact O-N 3.21Å; H714-K717 PolarHBondContact O-N 3.45Å; H714-Y718 VanDerWaalsContact O-CB 3.29Å; H714-Y718 WeakPolarHBondContact O-CB 3.43Å; H714-Y718 PolarHBondContact O-N 2.91Å
715	Y	77.6	Confident	69.7	Low	121 Å²	121	121 Å²	121	48%	0.475	58%	0.579	S	S	.	*	H	α-helix	trans	-66.7	-44.3	178.8	-173.1	-105.3	0	0	0	112.2	Y711 K712 Y718 L719	Y711-Y715 VanDerWaalsContact O-CB 3.3Å; Y711-Y715 WeakPolarHBondContact O-CB 3.45Å; Y711-Y715 PolarHBondContact O-N 3.07Å; K712-Y715 PolarHBondContact O-N 2.88Å; Y715-Y718 PolarHBondContact O-N 3.27Å; Y715-L719 HydrophobicContact CD1-CD1 3.71Å; Y715-L719 HydrophobicContact CE1-CD1 3.27Å; Y715-L719 HydrophobicContact CE2-CD1 4.32Å; Y715-L719 HydrophobicContact CG-CD1 4.39Å; Y715-L719 PolarHBondContact O-N 2.97Å
716	T	73	Confident	67.1	Low	74 Å²	74	119.6 Å²	119.6	45%	0.454	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-37.1	172.5	49.1	0	0	0	0	112.4	K712 C713 Y718 L719 N720	K712-T716 PolarHBondContact O-N 2.87Å; K712-T716 PolarHBondContact O-OG1 3.41Å; C713-T716 PolarHBondContact O-OG1 2.93Å; C713-T716 VanDerWaalsContact O-OG1 3.14Å; T716-Y718 VanDerWaalsContact C-N 3.34Å; T716-L719 PolarHBondContact O-N 3.19Å; T716-N720 WeakPolarHBondContact O-CB 3.48Å; T716-N720 PolarHBondContact O-N 2.76Å
717	K	72.3	Confident	64.3	Low	141 Å²	141	125.6 Å²	125.6	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-65.2	-36.5	173.2	-167.3	171.1	-176	176.4	0	112.4	C713 H714 N721	C713-K717 VanDerWaalsContact O-CB 3.31Å; C713-K717 WeakPolarHBondContact O-CB 3.46Å; C713-K717 PolarHBondContact O-N 3.49Å; C713-K717 VanDerWaalsContact O-N 3.07Å; H714-K717 PolarHBondContact O-N 3.45Å; K717-N721 WeakPolarHBondContact O-CB 3.37Å; K717-N721 PolarHBondContact O-N 2.87Å
718	Y	72	Confident	61.6	Low	128 Å²	128	130.9 Å²	130.9	50%	0.502	62%	0.615	S	S	.	*	H	α-helix	trans	-68.8	-45	175.6	-173.2	-103.5	0	0	0	112	H714 Y715 T716 N720 N721 H722	H714-Y718 VanDerWaalsContact O-CB 3.29Å; H714-Y718 WeakPolarHBondContact O-CB 3.43Å; H714-Y718 PolarHBondContact O-N 2.91Å; Y715-Y718 PolarHBondContact O-N 3.27Å; T716-Y718 VanDerWaalsContact C-N 3.34Å; Y718-N720 PolarHBondContact O-N 3.01Å; Y718-N721 PolarHBondContact O-N 3.3Å; Y718-H722 AromaticContact CD2-CD2 3.82Å; Y718-H722 AromaticContact CE1-CD2 3.74Å; Y718-H722 AromaticContact CE2-CD2 3.38Å; Y718-H722 WeakPolarHBondContact CE2-CD2 3.36Å; Y718-H722 AromaticContact CE2-NE2 3.34Å; Y718-H722 VanDerWaalsContact CE2-NE2 3.34Å; Y718-H722 WeakPolarHBondContact CE2-NE2 3.5Å; Y718-H722 AromaticContact CZ-CD2 3.33Å; Y718-H722 AromaticContact CZ-NE2 3.35Å; Y718-H722 PolarHBondContact O-N 3.33Å; Y718-H722 PolarHBondContact OH-NE2 2.92Å
719	L	63.3	Low	59	Low	81 Å²	81	132.4 Å²	132.4	42%	0.424	63%	0.627	S	S	.	*	H	α-helix	trans	-60	-42.3	174.3	-102.5	141	0	0	0	112.8	Y715 T716 H722 R723	Y715-L719 HydrophobicContact CD1-CD1 3.71Å; Y715-L719 HydrophobicContact CE1-CD1 3.27Å; Y715-L719 HydrophobicContact CE2-CD1 4.32Å; Y715-L719 HydrophobicContact CG-CD1 4.39Å; Y715-L719 PolarHBondContact O-N 2.97Å; T716-L719 PolarHBondContact O-N 3.19Å; L719-H722 PolarHBondContact O-N 3.46Å; L719-R723 PolarHBondContact O-N 3.36Å
720	N	56.5	Low	56.4	Low	123 Å²	123	133.1 Å²	133.1	66%	0.658	64%	0.636	S	S	*	*	H	α-helix	trans	-68	-34.5	176.3	-73.8	-9.8	0	0	0	112.2	T716 Y718	T716-N720 WeakPolarHBondContact O-CB 3.48Å; T716-N720 PolarHBondContact O-N 2.76Å; Y718-N720 PolarHBondContact O-N 3.01Å
721	N	50.4	Low	53.8	Low	109 Å²	109	137.8 Å²	137.8	58%	0.583	65%	0.652	S	S	*	*	H	α-helix	trans	-77.1	-18.3	175.9	-77	3.9	0	0	0	114.2	K717 Y718 S724	K717-N721 WeakPolarHBondContact O-CB 3.37Å; K717-N721 PolarHBondContact O-N 2.87Å; Y718-N721 PolarHBondContact O-N 3.3Å; N721-S724 PolarHBondContact O-OG 3.38Å
722	H	45.9	Very low	51.1	Low	120 Å²	120	136.9 Å²	136.9	56%	0.556	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	2.7	179.2	-92.7	-77.8	0	0	0	115.1	Y718 L719 S724	Y718-H722 AromaticContact CD2-CD2 3.82Å; Y718-H722 AromaticContact CE1-CD2 3.74Å; Y718-H722 AromaticContact CE2-CD2 3.38Å; Y718-H722 WeakPolarHBondContact CE2-CD2 3.36Å; Y718-H722 AromaticContact CE2-NE2 3.34Å; Y718-H722 VanDerWaalsContact CE2-NE2 3.34Å; Y718-H722 WeakPolarHBondContact CE2-NE2 3.5Å; Y718-H722 AromaticContact CZ-CD2 3.33Å; Y718-H722 AromaticContact CZ-NE2 3.35Å; Y718-H722 PolarHBondContact O-N 3.33Å; Y718-H722 PolarHBondContact OH-NE2 2.92Å; L719-H722 PolarHBondContact O-N 3.46Å; H722-S724 VanDerWaalsContact C-N 3.33Å
723	R	37.5	Very low	48.8	Very low	225 Å²	225	140 Å²	140	85%	0.849	67%	0.671	S	S	*	*	S	Bend	trans	-87.8	9.5	174.9	-107.3	-177.9	178	-173.5	-0.6	115.1	L719	L719-R723 PolarHBondContact O-N 3.36Å
724	S	29.8	Very low	46.6	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	68%	0.678	S	S	*	*			trans	-127.1	62.3	-172	50.5	0	0	0	0	113.9	N721 H722	N721-S724 PolarHBondContact O-OG 3.38Å; H722-S724 VanDerWaalsContact C-N 3.33Å
725	Y	31.2	Very low	44.4	Very low	226 Å²	226	143.7 Å²	143.7	89%	0.886	68%	0.68	S	S	*	*			trans	-130.7	110.5	162.8	-108.8	-85	0	0	0	110.8
726	P	34.7	Very low	42.3	Very low	111 Å²	111	145 Å²	145	72%	0.721	69%	0.69	S	S	*	*			trans	-89.4	126.6	-175.1	32.9	-32.7	0	0	0	112.4	K728	P726-K728 PolarHBondContact O-N 2.95Å
727	R	29.6	Very low	40.4	Very low	247 Å²	247	148.9 Å²	148.9	93%	0.932	70%	0.703	S	S	*	*			trans	-79.3	95.1	164.4	-177.8	175.3	-85.5	177.4	-6.2	108.9
728	K	32.2	Very low	38.4	Very low	182 Å²	182	146.9 Å²	146.9	79%	0.791	71%	0.706	S	S	*	*			trans	-60.8	139.1	174.7	-93.1	-175	172	-178.1	0	111.6	P726	P726-K728 PolarHBondContact O-N 2.95Å
729	I	34.5	Very low	36.4	Very low	162 Å²	162	146 Å²	146	83%	0.831	72%	0.718	S	S	*	*			trans	-87.3	148.7	157.8	-61.2	169.7	0	0	0	107.5
730	T	30.5	Very low	34.8	Very low	125 Å²	125	146.8 Å²	146.8	77%	0.767	73%	0.73	S	S	*	*			trans	-132	105.8	170.3	47	0	0	0	0	111.4
731	L	31.5	Very low	33.5	Very low	158 Å²	158	151.7 Å²	151.7	83%	0.827	74%	0.74	S	S	*	*			trans	-150.4	124.3	143.3	-147.9	74.2	0	0	0	109.7
732	D	32.7	Very low	32.5	Very low	127 Å²	127	155.2 Å²	155.2	68%	0.679	75%	0.75	S	S	*	*			trans	9.8	131.2	167.5	-50.3	-37.9	0	0	0	120.3
733	K	31.9	Very low	31.6	Very low	192 Å²	192	154.5 Å²	154.5	84%	0.835	76%	0.758	S	S	*	*				-148.2	139.5	52	-73.3	161.4	-178.7	174.3	0	110.4
734	Q	32	Very low	31.2	Very low	144 Å²	144	149.6 Å²	149.6	67%	0.673	75%	0.753	S	S	*	*				54.6	128.2	72	-64.3	-163.3	-47.3	0	0	114
735	H	33	Very low	31.1	Very low	136 Å²	136	152.1 Å²	152.1	63%	0.63	76%	0.76	S	S	*	*			cis	-158.8	173.2	-11.9	-92	-63.1	0	0	0	106.5
736	H	34.1	Very low	31.1	Very low	149 Å²	149	147.1 Å²	147.1	69%	0.69	75%	0.753	S	S	*	*			cis	-130.4	175.6	9.5	-89.3	-69.9	0	0	0	109.1
737	Q	33.1	Very low	30.8	Very low	156 Å²	156	148.5 Å²	148.5	73%	0.729	76%	0.755	S	S	*	*			cis	74.5	132.9	45.4	-95.8	175.6	-33.7	0	0	115
738	C	30.3	Very low	30.9	Very low	99 Å²	99	144.6 Å²	144.6	67%	0.669	75%	0.746	S	S	*	*			cis	-141.1	144.4	14.8	-90.2	0	0	0	0	111.8
739	S	30.1	Very low	30.9	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	74%	0.742	S	S	*	*				68.2	135.4	79.5	108	0	0	0	0	115.8
740	S	29.3	Very low	31.1	Very low	97 Å²	97	139 Å²	139	68%	0.678	74%	0.742	S	S	*	*			cis	-172.6	173.7	-4.9	66.2	0	0	0	0	113.7
741	R	29.6	Very low	30.8	Very low	226 Å²	226	138.9 Å²	138.9	85%	0.853	74%	0.741	S	S	*	*			trans	83.1	125.5	153.1	-75.1	178.3	171.9	-176.8	-0.2	123.6
742	K	28.9	Very low	30.7	Very low	184 Å²	184	137.8 Å²	137.8	80%	0.8	74%	0.736	S	S	*	*			trans	74	107.7	133.3	-79.3	-165.5	171.4	-166.2	0	123.4
743	S	28.1	Very low	30.5	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	74%	0.741	S	S	*	*				73.2	140.5	119.1	70.4	0	0	0	0	124.1
744	V	29.3	Very low	30.2	Very low	123 Å²	123	135.1 Å²	135.1	75%	0.745	73%	0.733	S	S	*	*			trans	92	105.3	155.7	173.2	0	0	0	0	119.2
745	D	27.5	Very low	29.9	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	74%	0.742	S	S	*	*			trans	69.3	154.7	134.5	-58.6	-1.8	0	0	0	126.7
746	T	31.2	Very low	29.7	Very low	121 Å²	121	138.9 Å²	138.9	74%	0.742	75%	0.752	S	S	*	*			trans	81.4	91.8	161.1	48	0	0	0	0	122.8
747	N	28.3	Very low	29.3	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	76%	0.76	S	S	*	*				76.8	128.4	117.2	-66.5	-11.1	0	0	0	125.2
748	H	32	Very low	29.1	Very low	164 Å²	164	138.7 Å²	138.7	76%	0.759	76%	0.76	S	S	*	*			trans	81.8	85.8	136.9	-82	46.3	0	0	0	121.7
749	S	31.3	Very low	29	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	76%	0.761	S	S	*	*				41.6	149.7	113.9	56.5	0	0	0	0	123.7
750	P	37.9	Very low	28.9	Very low	126 Å²	126	142 Å²	142	82%	0.818	76%	0.76	S	S	*	*			trans	-129.4	-162.6	-152.2	44.2	-25.9	0	0	0	115.3
751	T	25.8	Very low	28.9	Very low	123 Å²	123	144 Å²	144	76%	0.755	76%	0.763	S	S	*	*			trans	-127.7	151.9	176.1	47	0	0	0	0	114.3
752	D	27.8	Very low	28.8	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	75%	0.751	S	S	*	*			trans	72.7	127.5	140.1	-61	-10.4	0	0	0	126.8
753	H	28	Very low	28.8	Very low	167 Å²	167	135.5 Å²	135.5	77%	0.773	75%	0.75	S	S	*	*			trans	61.2	108.4	131.1	-76.5	-72.2	0	0	0	125.7
754	S	26.2	Very low	28.8	Very low	95 Å²	95	138.1 Å²	138.1	66%	0.664	75%	0.754	S	S	*	*				97.5	156.2	106.4	81	0	0	0	0	125
755	L	26.2	Very low	28.7	Very low	168 Å²	168	138 Å²	138	88%	0.88	75%	0.753	S	S	*	*			trans	86.9	163.6	151.9	-76.6	162.7	0	0	0	122.6
756	K	28.2	Very low	28.8	Very low	191 Å²	191	136.8 Å²	136.8	83%	0.83	76%	0.756	S	S	*	*			trans	-130.4	154.1	-161.8	-52.6	170.6	177.2	176.2	0	112.3
757	L	26.8	Very low	28.6	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	75%	0.752	S	S	*	*				-176	-175.6	123.6	-134.5	65.2	0	0	0	112.3
758	N	29	Very low	28.6	Very low	137 Å²	137	142.7 Å²	142.7	73%	0.733	76%	0.76	S	S	*	*			trans	-111.6	-161.4	-170.3	-52.3	13.4	0	0	0	112
759	D	28.2	Very low	28.4	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	75%	0.752	S	S	*	*			cis	-163.4	-169.1	8.8	-143.2	-72.3	0	0	0	112.1
760	M	27.6	Very low	28.4	Very low	150 Å²	150	146 Å²	146	74%	0.739	76%	0.762	S	S	*	*			trans	78	111	158	-69.6	-114.5	177.9	0	0	122
761	N	28.3	Very low	27.8	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	75%	0.752	S	S	*	*				50.3	144.2	123.3	-65.7	-28.8	0	0	0	122.7
762	S	28.2	Very low	28	Very low	85 Å²	85	149.7 Å²	149.7	59%	0.594	76%	0.756	S	S	*	*			cis	-171.1	162.5	-11.2	55.5	0	0	0	0	112.8
763	N	28.5	Very low	28.1	Very low	146 Å²	146	148.8 Å²	148.8	78%	0.781	76%	0.756	S	S	*	*			trans	69.7	123.3	158	-56.5	-27.3	0	0	0	121.9
764	I	28.7	Very low	28	Very low	158 Å²	158	148.2 Å²	148.2	81%	0.81	76%	0.758	S	S	*	*				172.5	122.5	106.7	-86.7	175.6	0	0	0	113.1
765	V	26.6	Very low	28.1	Very low	121 Å²	121	153.1 Å²	153.1	73%	0.733	77%	0.771	S	S	*	*			trans	30.3	121.5	145.4	-169.7	0	0	0	0	120.5
766	S	29.7	Very low	28	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	77%	0.765	S	S	*	*				-177.3	150.5	87	31.2	0	0	0	0	109.7
767	K	26.2	Very low	28.2	Very low	153 Å²	153	147.5 Å²	147.5	67%	0.665	76%	0.764	S	S	*	*			cis	102.3	92.2	19.5	-163.6	-168	-179.4	-172.5	0	115.7	F769	K767-F769 HydrophobicContact CG-CD2 4.42Å
768	Y	29	Very low	28.3	Very low	231 Å²	231	144.3 Å²	144.3	91%	0.906	76%	0.755	S	S	*	*			trans	-150.6	130	145.5	-83	-79.1	0	0	0	105.7
769	F	28.5	Very low	28.2	Very low	136 Å²	136	142.6 Å²	142.6	60%	0.596	75%	0.754	S	S	*	*			cis	77.3	111.4	29.5	-102.5	-86.2	0	0	0	116.4	K767 D771	K767-F769 HydrophobicContact CG-CD2 4.42Å; F769-D771 WeakPolarHBondContact CD1-OD2 3.39Å; F769-D771 WeakPolarHBondContact CE1-OD1 3.32Å
770	E	30	Very low	28.2	Very low	198 Å²	198	143.7 Å²	143.7	93%	0.925	76%	0.759	S	S	*	*			trans	-149.5	138	142.3	-153.7	161.8	-130.6	0	0	107.5
771	D	26.4	Very low	28.1	Very low	114 Å²	114	143.7 Å²	143.7	61%	0.61	76%	0.762	S	S	*	*			trans	-99.8	172.9	-170	-70.6	-72.5	0	0	0	112.8	F769	F769-D771 WeakPolarHBondContact CD1-OD2 3.39Å; F769-D771 WeakPolarHBondContact CE1-OD1 3.32Å
772	Y	29.5	Very low	28.2	Very low	213 Å²	213	147.1 Å²	147.1	84%	0.835	77%	0.766	S	S	*	*				-163.8	108.5	117.4	-118.8	-85.1	0	0	0	114.5
773	T	30.3	Very low	27.9	Very low	117 Å²	117	149.2 Å²	149.2	72%	0.718	78%	0.776	S	S	*	*			trans	62.2	129.5	150.2	51.6	0	0	0	0	123.4
774	D	24.9	Very low	28	Very low	154 Å²	154	148 Å²	148	82%	0.824	78%	0.776	S	S	*	*			trans	-71.1	164.2	163.5	-49.7	-98.1	0	0	0	115
775	Q	28.7	Very low	27.8	Very low	199 Å²	199	146.9 Å²	146.9	93%	0.93	78%	0.776	S	S	*	*				-146.7	144.2	127.9	-114.6	-179.9	17.2	0	0	110.9
776	S	25.7	Very low	27.9	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	78%	0.782	S	S	*	*			trans	-140	134.6	-176.3	55.9	0	0	0	0	112.3
777	V	30.6	Very low	27.8	Very low	132 Å²	132	148.4 Å²	148.4	80%	0.8	78%	0.779	S	S	*	*			trans	-142.6	104.8	177.9	179.3	0	0	0	0	111.4
778	S	29.4	Very low	27.5	Very low	96 Å²	96	147.7 Å²	147.7	67%	0.671	79%	0.791	S	S	*	*			trans	29.6	117.4	149.7	68.2	0	0	0	0	122.6
779	S	26.5	Very low	27.5	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	79%	0.788	S	S	*	*				52.7	131.5	125.9	69.6	0	0	0	0	122.5
780	L	28.7	Very low	27.3	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	80%	0.801	S	S	*	*				-159.4	146.5	102.2	-123.2	124.7	0	0	0	112.2	Y782	L780-Y782 HydrophobicContact CD2-CD2 4.34Å; L780-Y782 HydrophobicContact CD2-CE2 4.21Å
781	N	25.5	Very low	27.2	Very low	150 Å²	150	147 Å²	147	80%	0.802	80%	0.801	S	S	*	*			trans	-89.1	144.1	171.7	-70.5	-33.6	0	0	0	110.1
782	Y	29.9	Very low	27.1	Very low	212 Å²	212	148.8 Å²	148.8	83%	0.831	81%	0.811	S	S	*	*			trans	-151.2	123	145.9	-102.3	-69.7	0	0	0	112.4	L780	L780-Y782 HydrophobicContact CD2-CD2 4.34Å; L780-Y782 HydrophobicContact CD2-CE2 4.21Å
783	T	23.6	Very low	27	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	81%	0.81	S	S	*	*			trans	-125.1	145.7	156	48.3	0	0	0	0	107.9
784	P	30.6	Very low	26.9	Very low	121 Å²	121	144.3 Å²	144.3	79%	0.786	81%	0.812	S	S	*	*			trans	-122.9	121.2	157	33.4	-22	0	0	0	110.8
785	T	22.9	Very low	26.9	Very low	134 Å²	134	143.4 Å²	143.4	82%	0.822	81%	0.812	S	S	*	*			trans	-83.6	140.2	161.8	43.1	0	0	0	0	109.3
786	L	29.2	Very low	26.9	Very low	163 Å²	163	138.1 Å²	138.1	85%	0.853	80%	0.797	S	S	*	*			trans	-142.3	117.2	167.6	-138.9	86.7	0	0	0	112.5
787	S	27.2	Very low	26.8	Very low	103 Å²	103	140.8 Å²	140.8	72%	0.72	80%	0.802	S	S	*	*			trans	27.4	120.3	152.2	58.8	0	0	0	0	120.7
788	C	20.3	Very low	26.6	Very low	137 Å²	137	141.2 Å²	141.2	93%	0.926	80%	0.799	S	S	*	*			trans	-61.3	147.2	155.8	-56.2	0	0	0	0	112
789	S	28.6	Very low	26.4	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	81%	0.805	S	S	*	*			trans	-143.7	150.8	151.5	71.8	0	0	0	0	110
790	Q	24.8	Very low	26.4	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	81%	0.81	S	S	*	*			trans	-86	140.6	-173	-61	162.4	-61.7	0	0	111.5
791	R	28	Very low	26.2	Very low	245 Å²	245	145.1 Å²	145.1	93%	0.925	81%	0.808	S	S	*	*			trans	-157.5	146.6	149.8	-111.7	164.2	-163.5	-161.8	2.4	111.7
792	N	24.7	Very low	26.2	Very low	151 Å²	151	143 Å²	143	81%	0.807	80%	0.804	S	S	*	*			trans	-78.8	145.7	-170.6	-55.3	-12.5	0	0	0	111.6	S794	N792-S794 PolarHBondContact O-N 3.32Å
793	P	27.7	Very low	26	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	80%	0.799	S	S	*	*			trans	-77.5	107.7	166.1	31.3	-31.1	0	0	0	110.1
794	S	27.7	Very low	26.2	Very low	108 Å²	108	139 Å²	139	76%	0.755	79%	0.791	S	S	*	*			trans	-75.8	127.7	167.3	53.1	0	0	0	0	110.4	N792 S796	N792-S794 PolarHBondContact O-N 3.32Å; S794-S796 PolarHBondContact O-N 2.98Å
795	V	24.3	Very low	25.9	Very low	135 Å²	135	141.7 Å²	141.7	82%	0.818	79%	0.79	S	S	*	*			trans	-60	131.4	177.9	178.2	0	0	0	0	110.6
796	S	28.4	Very low	26	Very low	88 Å²	88	140 Å²	140	62%	0.615	78%	0.779	S	S	*	*			trans	-135.7	118.6	166	53.1	0	0	0	0	110.1	S794 I798	S794-S796 PolarHBondContact O-N 2.98Å; S796-I798 PolarHBondContact O-N 3Å; S796-I798 VanDerWaalsContact O-N 3.11Å
797	N	24.4	Very low	25.9	Very low	165 Å²	165	138.9 Å²	138.9	88%	0.882	77%	0.774	S	S	*	*			trans	-76.7	95.4	177	-81.2	-30.8	0	0	0	109.6
798	I	26.8	Very low	25.9	Very low	141 Å²	141	142.3 Å²	142.3	72%	0.723	78%	0.779	S	S	*	*			trans	-116.2	113.6	173.6	-53.5	-176	0	0	0	108.4	S796	S796-I798 PolarHBondContact O-N 3Å; S796-I798 VanDerWaalsContact O-N 3.11Å
799	K	25.1	Very low	26.4	Very low	186 Å²	186	138.6 Å²	138.6	81%	0.809	76%	0.755	S	S	*	*			trans	-63.9	133.6	170.2	-73.7	-177.7	175.1	-178.7	0	108.7	T801	K799-T801 PolarHBondContact O-N 2.98Å
800	P	25.6	Very low	26.4	Very low	127 Å²	127	138.8 Å²	138.8	83%	0.825	75%	0.75	S	S	*	*			trans	-73.3	91.5	173.1	30.3	-33.8	0	0	0	110.2	S802	P800-S802 PolarHBondContact O-N 2.89Å
801	T	24.7	Very low	26.6	Very low	119 Å²	119	137.3 Å²	137.3	73%	0.73	75%	0.748	S	S	*	*			trans	-68.4	108.4	152.5	44.8	0	0	0	0	107.4	K799 L803	K799-T801 PolarHBondContact O-N 2.98Å; T801-L803 PolarHBondContact O-N 3.4Å
802	S	26.7	Very low	26.7	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	74%	0.74	S	S	*	*			trans	-68.1	95.9	-178.8	49.1	0	0	0	0	111.2	P800 I804	P800-S802 PolarHBondContact O-N 2.89Å; S802-I804 PolarHBondContact O-N 3.06Å; S802-I804 VanDerWaalsContact O-N 3.14Å
803	L	24.2	Very low	26.8	Very low	138 Å²	138	131 Å²	131	72%	0.723	74%	0.739	S	S	*	*			trans	-65.6	108.9	162.8	-97.9	74.2	0	0	0	108.5	T801 F805	T801-L803 PolarHBondContact O-N 3.4Å; L803-F805 PolarHBondContact O-N 3.15Å
804	I	27.9	Very low	26.8	Very low	121 Å²	121	132.7 Å²	132.7	62%	0.621	74%	0.74	S	S	*	*			trans	-78.7	112.9	170.3	-62.9	172.3	0	0	0	107.8	S802 V806	S802-I804 PolarHBondContact O-N 3.06Å; S802-I804 VanDerWaalsContact O-N 3.14Å; I804-V806 HydrophobicContact CG2-CG2 4Å; I804-V806 PolarHBondContact O-N 3Å
805	F	23.9	Very low	26.7	Very low	176 Å²	176	135.4 Å²	135.4	77%	0.772	75%	0.745	S	S	*	*			trans	-76.1	98	162.7	-80.2	-89.3	0	0	0	108.8	L803 N807	L803-F805 PolarHBondContact O-N 3.15Å; F805-N807 PolarHBondContact O-N 3.01Å; F805-N807 VanDerWaalsContact O-N 3.15Å
806	V	26.7	Very low	26.8	Very low	99 Å²	99	134.5 Å²	134.5	60%	0.6	75%	0.745	S	S	*	*			trans	-71.4	103.7	165.7	-179.1	0	0	0	0	107.5	I804 E808	I804-V806 HydrophobicContact CG2-CG2 4Å; I804-V806 PolarHBondContact O-N 3Å; V806-E808 PolarHBondContact O-N 3.28Å; V806-E808 VanDerWaalsContact O-N 3.09Å
807	N	27.1	Very low	26.6	Very low	139 Å²	139	135.9 Å²	135.9	74%	0.743	76%	0.755	S	S	*	*			trans	-81.7	86.9	-178.2	-122.1	18.3	0	0	0	110.1	F805 S809	F805-N807 PolarHBondContact O-N 3.01Å; F805-N807 VanDerWaalsContact O-N 3.15Å; N807-S809 VanDerWaalsContact C-N 3.34Å; N807-S809 PolarHBondContact O-N 3.45Å; N807-S809 PolarHBondContact O-OG 3.35Å
808	E	26.2	Very low	26.8	Very low	175 Å²	175	136.9 Å²	136.9	82%	0.818	76%	0.757	S	S	*	*			trans	-63.4	91.4	171	-68.1	-171.5	165.5	0	0	110.2	V806 V810	V806-E808 PolarHBondContact O-N 3.28Å; V806-E808 VanDerWaalsContact O-N 3.09Å; E808-V810 PolarHBondContact O-N 3.02Å
809	S	31.7	Very low	26.8	Very low	60 Å²	60	136.5 Å²	136.5	42%	0.42	76%	0.761	S	S	.	*			trans	-97.8	81.9	-171.3	41.7	0	0	0	0	111.6	N807 N811	N807-S809 VanDerWaalsContact C-N 3.34Å; N807-S809 PolarHBondContact O-N 3.45Å; N807-S809 PolarHBondContact O-OG 3.35Å; S809-N811 PolarHBondContact O-N 3.03Å; S809-N811 VanDerWaalsContact O-N 3.15Å
810	V	28.7	Very low	26.8	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	76%	0.764	S	S	*	*			trans	-73.7	100.7	170.6	-177.6	0	0	0	0	109.7	E808	E808-V810 PolarHBondContact O-N 3.02Å
811	N	27.7	Very low	27.1	Very low	156 Å²	156	137.8 Å²	137.8	83%	0.834	76%	0.764	S	S	*	*			trans	-128.9	88.7	167.4	-90.2	-46.4	0	0	0	109.5	S809	S809-N811 PolarHBondContact O-N 3.03Å; S809-N811 VanDerWaalsContact O-N 3.15Å
812	L	29.9	Very low	27.1	Very low	142 Å²	142	141.4 Å²	141.4	74%	0.743	77%	0.77	S	S	*	*			trans	-93.5	145.2	169.9	-76.1	166.6	0	0	0	110.1	I814	L812-I814 PolarHBondContact O-N 3.35Å
813	P	28.4	Very low	27	Very low	123 Å²	123	142.7 Å²	142.7	80%	0.799	78%	0.777	S	S	*	*			trans	-69.7	118.6	179.5	28.3	-33.6	0	0	0	111	N815	P813-N815 PolarHBondContact O-N 3.33Å
814	I	26.9	Very low	27.2	Very low	162 Å²	162	143.1 Å²	143.1	83%	0.831	78%	0.778	S	S	*	*			trans	-71.5	110.3	179.7	-59.5	173.2	0	0	0	109.5	L812	L812-I814 PolarHBondContact O-N 3.35Å
815	N	25	Very low	27.2	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	79%	0.786	S	S	*	*			trans	-157.9	61.4	165.4	-123.5	-12.1	0	0	0	114.3	P813	P813-N815 PolarHBondContact O-N 3.33Å
816	S	27.9	Very low	27.4	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	79%	0.788	S	S	*	*			trans	-155.9	142.2	154.4	52.6	0	0	0	0	110.6
817	S	23.9	Very low	27.5	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	79%	0.793	S	S	*	*			trans	-92.1	133.4	-178.1	48.7	0	0	0	0	111.5
818	M	28.2	Very low	27.5	Very low	186 Å²	186	146.8 Å²	146.8	92%	0.916	80%	0.796	S	S	*	*			trans	-138.6	147.2	163.2	-93.3	-85.1	161.9	0	0	109.2
819	T	26.9	Very low	27.7	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	80%	0.795	S	S	*	*			trans	-85.1	162.2	-169.5	42.5	0	0	0	0	113.3	N821	T819-N821 PolarHBondContact O-N 2.98Å
820	E	25.8	Very low	27.6	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	81%	0.812	S	S	*	*			trans	-55.9	128.5	-179.6	-55.1	173.3	117.4	0	0	112.8
821	N	29.9	Very low	27.5	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	81%	0.809	S	S	*	*			trans	-157.2	124.8	143.8	-106.5	-51.3	0	0	0	113	T819	T819-N821 PolarHBondContact O-N 2.98Å
822	K	25.7	Very low	27.5	Very low	196 Å²	196	148.3 Å²	148.3	85%	0.852	81%	0.808	S	S	*	*			trans	-19.9	115.7	173.9	-62.3	163.5	-178.6	171.8	0	116.9
823	C	25.5	Very low	27.2	Very low	130 Å²	130	148.8 Å²	148.8	88%	0.878	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-88.3	133.8	154.6	-73.4	0	0	0	0	110.4
824	I	26.5	Very low	27	Very low	147 Å²	147	147.8 Å²	147.8	75%	0.754	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-94.7	129.7	170.5	-66	172.7	0	0	0	108	H826	I824-H826 PolarHBondContact O-N 3.18Å
825	I	28.3	Very low	26.9	Very low	151 Å²	151	148.3 Å²	148.3	77%	0.774	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-78.1	117	176.9	-59.1	173.3	0	0	0	109
826	H	28.6	Very low	27.1	Very low	179 Å²	179	148.1 Å²	148.1	83%	0.829	80%	0.8	S	S	*	*			trans	-112.5	115.9	165.3	-110.8	-75.8	0	0	0	109.6	I824	I824-H826 PolarHBondContact O-N 3.18Å
827	N	28	Very low	26.9	Very low	132 Å²	132	149 Å²	149	71%	0.706	80%	0.796	S	S	*	*			trans	-73.7	136	174.7	-67.4	-21.9	0	0	0	110.6
828	N	27.9	Very low	27.2	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	79%	0.793	S	S	*	*			trans	-171.1	101.4	146.3	-101.9	-14.3	0	0	0	111.2
829	P	29.9	Very low	27.3	Very low	122 Å²	122	147 Å²	147	79%	0.792	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.6	116.3	163.3	31.5	-29	0	0	0	109.4	S831	P829-S831 PolarHBondContact O-N 3.2Å
830	I	29.2	Very low	27.4	Very low	150 Å²	150	150.3 Å²	150.3	77%	0.769	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.6	119.2	173.8	-64.3	179.4	0	0	0	109
831	S	27.3	Very low	27.6	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83.2	129.5	178.2	56.2	0	0	0	0	112.2	P829	P829-S831 PolarHBondContact O-N 3.2Å
832	H	27.2	Very low	27.5	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.815	78%	0.784	S	S	*	*			trans	-125.3	106.7	157.2	-83.7	-69.8	0	0	0	110.5
833	I	24.2	Very low	27.6	Very low	152 Å²	152	146.4 Å²	146.4	78%	0.779	78%	0.783	S	S	*	*			trans	-136.3	145.1	172.9	-71.4	179.8	0	0	0	106.6
834	C	24.1	Very low	27.9	Very low	102 Å²	102	147.4 Å²	147.4	69%	0.689	78%	0.78	S	S	*	*			trans	68	149.4	-172.2	-60.5	0	0	0	0	114.4
835	H	25.8	Very low	28	Very low	173 Å²	173	147.1 Å²	147.1	80%	0.801	78%	0.78	S	S	*	*			cis	-127.8	137.8	12	-70.4	-101.3	0	0	0	113.2
836	I	27.5	Very low	28.2	Very low	161 Å²	161	145.3 Å²	145.3	83%	0.826	78%	0.781	S	S	*	*			trans	-93.4	123.7	146	-68.3	177.6	0	0	0	106.4	V838	I836-V838 PolarHBondContact O-N 3.2Å
837	N	24.6	Very low	28.4	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	77%	0.773	S	S	*	*			trans	-91.7	94.4	-173.5	-167.6	21.7	0	0	0	110.8	N839	N837-N839 PolarHBondContact O-N 3.35Å
838	V	29.8	Very low	28.5	Very low	125 Å²	125	144.9 Å²	144.9	76%	0.758	77%	0.772	S	S	*	*			trans	-81.2	112.6	171.7	-178.4	0	0	0	0	108.5	I836 K840	I836-V838 PolarHBondContact O-N 3.2Å; V838-K840 PolarHBondContact O-N 2.88Å
839	N	29.9	Very low	28.5	Very low	135 Å²	135	144.2 Å²	144.2	72%	0.722	78%	0.778	S	S	*	*			trans	-58.3	126.2	179.2	-82.4	-25.2	0	0	0	111.3	N837 V841	N837-N839 PolarHBondContact O-N 3.35Å; N839-V841 PolarHBondContact O-N 2.98Å
840	K	29.7	Very low	28.4	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	78%	0.779	S	S	*	*			trans	-66.6	115.7	166.1	-73	-178.6	175.5	-179.4	0	109.3	V838	V838-K840 PolarHBondContact O-N 2.88Å
841	V	29.1	Very low	28.6	Very low	135 Å²	135	145.5 Å²	145.5	82%	0.818	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83.6	140	156.6	-178.7	0	0	0	0	107.3	N839	N839-V841 PolarHBondContact O-N 2.98Å
842	L	29.2	Very low	28.7	Very low	154 Å²	154	145.3 Å²	145.3	81%	0.806	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.1	148.5	175.4	-96	67.3	0	0	0	110.7
843	I	27.2	Very low	28.9	Very low	164 Å²	164	143 Å²	143	84%	0.841	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-92.8	128.1	158.3	-63.5	168.9	0	0	0	106.4
844	D	32.4	Very low	29.2	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	79%	0.786	S	S	*	*			trans	-143.4	159.4	158.3	-152	-18.2	0	0	0	107.5
845	D	28.9	Very low	29.5	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	79%	0.791	S	S	*	*			trans	-88.9	166.3	-150.2	-93.9	-46.9	0	0	0	117.2
846	S	31.1	Very low	29.6	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	79%	0.793	S	S	*	*			trans	78.9	147.2	163.5	86	0	0	0	0	117.3
847	E	32.9	Very low	29.8	Very low	140 Å²	140	141.9 Å²	141.9	65%	0.654	79%	0.785	S	S	*	*			cis	-135.4	155.5	3	-82.3	-154.1	131.2	0	0	113.4
848	K	30.7	Very low	30	Very low	161 Å²	161	145.1 Å²	145.1	70%	0.7	79%	0.793	S	S	*	*			trans	34	111.3	144	-57.9	162.8	-170	148.3	0	119.4
849	C	28.5	Very low	30.8	Very low	137 Å²	137	150.3 Å²	150.3	93%	0.926	82%	0.816	S	S	*	*				-160.1	134.3	110.3	-127.1	0	0	0	0	112
850	T	27.4	Very low	30.9	Very low	130 Å²	130	151.1 Å²	151.1	80%	0.798	82%	0.821	S	S	*	*			trans	-117.7	137.3	-173.5	51	0	0	0	0	112
851	L	32.8	Very low	31	Very low	169 Å²	169	148.4 Å²	148.4	89%	0.885	82%	0.817	S	S	*	*			trans	-157.7	103.4	154.6	-110.8	163.8	0	0	0	112.8
852	S	30.6	Very low	31.1	Very low	94 Å²	94	149.1 Å²	149.1	66%	0.657	82%	0.817	S	S	*	*			trans	34.5	121	152.1	58.5	0	0	0	0	122.3
853	P	30.1	Very low	31.2	Very low	127 Å²	127	148.8 Å²	148.8	83%	0.825	82%	0.818	S	S	*	*			trans	-89.5	162.3	160.3	37.5	-33.8	0	0	0	113
854	I	30.8	Very low	31.4	Very low	164 Å²	164	147.9 Å²	147.9	84%	0.841	82%	0.817	S	S	*	*			trans	-134	153.3	170.1	-65.3	-176.4	0	0	0	110.5
855	Q	31.2	Very low	31.3	Very low	170 Å²	170	147.6 Å²	147.6	79%	0.794	82%	0.817	S	S	*	*			trans	-57.4	145.2	-174.8	-79.1	158.3	-68.9	0	0	114.8
856	V	26.3	Very low	31.5	Very low	137 Å²	137	148.1 Å²	148.1	83%	0.83	82%	0.822	S	S	*	*				62.9	130.2	70	174.8	0	0	0	0	110.9
857	S	32.3	Very low	31.6	Very low	94 Å²	94	150.8 Å²	150.8	66%	0.657	82%	0.824	S	S	*	*			cis	-135.7	178.5	28.5	52.9	0	0	0	0	115.7
858	F	29.6	Very low	31.4	Very low	204 Å²	204	151.7 Å²	151.7	90%	0.895	84%	0.838	S	S	*	*			trans	-103.8	145.4	153.7	-78.8	-92	0	0	0	109.2
859	D	47	Very low	31.5	Very low	233 Å²	233	150.8 Å²	150.8	100%	1.246	85%	0.85	S	S	*	*			trans	-126.6	0	156.7	-81.2	-47.5	0	0	0	107.7

Retrieved 859 of 859 residues in 1996.5 ms (Link to these results)

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