A0A090N7T7_HUMAN Loading...

Contactin associated protein-like 2

AlphaFold DB (Q9UHC6), UniProt , Accession A0A090N7T7, Species HUMAN (Homo sapiens, Human), Gene CNTNAP2, Length 1,331 aa.

						>A0A090N7T7_HUMAN|A0A090N7T7|CNTNAP2
MQAAPRAGCGAALLLWIVSSCLCRAWTAPSTSQKCDEPLVSGLPHVAFSSSSSISGSYSPGYAKINKRGGAGGWSPSDSDHYQWLQVDFGNRKQISAIATQGRYSSSDWVTQYRMLYSDTGRNWKPYHQDGNIWAFPGNINSDGVVRHELQHPIIARYVRIVPLDWNGEGRIGLRIEVYGCSYWADVINFDGHVVLPYRFRNKKMKTLKDVIALNFKTSESEGVILHGEGQQGDYITLELKKAKLVLSLNLGSNQLGPIYGHTSVMTGSLLDDHHWHSVVIERQGRSINLTLDRSMQHFRTNGEFDYLDLDYEITFGGIPFSGKPSSSSRKNFKGCMESINYNGVNITDLARRKKLEPSNVGNLSFSCVEPYTVPVFFNATSYLEVPGRLNQDLFSVSFQFRTWNPNGLLVFSHFADNLGNVEIDLTESKVGVHINITQTKMSQIDISSGSGLNDGQWHEVRFLAKENFAILTIDGDEASAVRTNSPLQVKTGEKYFFGGFLNQMNNSSHSVLQPSFQGCMQLIQVDDQLVNLYEVAQRKPGSFANVSIDMCAIIDRCVPNHCEHGGKCSQTWDSFKCTCDETGYSGATCHNSIYEPSCEAYKHLGQTSNYYWIDPDGSGPLGPLKVYCNMTEDKVWTIVSHDLQMQTPVVGYNPEKYSVTQLVYSASMDQISAITDSAEYCEQYVSYFCKMSRLLNTPDGSPYTWWVGKANEKHYYWGGSGPGIQKCACGIERNCTDPKYYCNCDADYKQWRKDAGFLSYKDHLPVSQVVVGDTDRQGSEAKLSVGPLRCQGDRNYWNAASFPNPSSYLHFSTFQGETSADISFYFKTLTPWGVFLENMGKEDFIKLELKSATEVSFSFDVGNGPVEIVVRSPTPLNDDQWHRVTAERNVKQASLQVDRLPQQIRKAPTEGHTRLELYSQLFVGGAGGQQGFLGCIRSLRMNGVTLDLEERAKVTSGFISGCSGHCTSYGTNCENGGKCLERYHGYSCDCSNTAYDGTFCNKDVGAFFEEGMWLRYNFQAPATNARDSSSRVDNAPDQQNSHPDLAQEEIRFSFSTTKAPCILLYISSFTTDFLAVLVKPTGSLQIRYNLGGTREPYNIDVDHRNMANGQPHSVNITRHEKTIFLKLDHYPSVSYHLPSSSDTLFNSPKSLFLGKVIETGKIDQEIHKYNTPGFTGCLSRVQFNQIAPLKAALRQTNASAHVHIQGELVESNCGASPLTLSPMSSATDPWHLDHLDSASADFPYNPGQGQAIRNGVNRNSAIIGGVIAVVIFTILCTLVFLIRYMFRHKGTYHTNEAKGAESAESADAAIMNNDPNFTETIDESKKEWLI
					

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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	36.3	Very low	34.5	Very low	244 Å²	244	138.7 Å²	138.7	100%	1.202	89%	0.892	S	S	*	*				0	130	0	-79.7	176.5	166.9	0	0	107.3
2	Q	36.4	Very low	34.9	Very low	196 Å²	196	134.2 Å²	134.2	92%	0.916	88%	0.875	S	S	*	*			trans	68.7	100.3	-166.9	-64.6	176.9	-18.9	0	0	113.6
3	A	34.4	Very low	35.3	Very low	102 Å²	102	135.5 Å²	135.5	84%	0.843	87%	0.869	S	S	*	*				84.5	126.4	78.3	0	0	0	0	0	111.5
4	A	34.4	Very low	35.6	Very low	95 Å²	95	136.7 Å²	136.7	79%	0.785	86%	0.864	S	S	*	*			cis	-162.1	166.5	-4.7	0	0	0	0	0	107.6
5	P	34.7	Very low	35.8	Very low	129 Å²	129	136.7 Å²	136.7	84%	0.838	85%	0.854	S	S	*	*			trans	-100	152	-162.7	36.9	-30.5	0	0	0	114.7
6	R	37.1	Very low	36	Very low	256 Å²	256	141.3 Å²	141.3	97%	0.966	85%	0.85	S	S	*	*			trans	-123.1	137.4	169.2	-93.1	-174.3	176.5	179.4	-0.2	111.9
7	A	34.8	Very low	36.2	Very low	113 Å²	113	139.9 Å²	139.9	93%	0.934	84%	0.836	S	S	*	*			trans	-68.2	135.8	-169.2	0	0	0	0	0	113.9
8	G	32.4	Very low	36.5	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	82%	0.82	S	S	*	*			trans	-134.6	157.5	166.3	0	0	0	0	0	109.3
9	C	31.9	Very low	36.5	Very low	146 Å²	146	134.5 Å²	134.5	99%	0.986	81%	0.809	S	S	*	*			trans	84.7	96.6	179.4	-61.5	0	0	0	0	115.9
10	G	32.6	Very low	36.6	Very low	85 Å²	85	131.6 Å²	131.6	88%	0.876	80%	0.795	S	S	*	*	S	Bend	trans	-164.5	-27.1	166.3	0	0	0	0	0	117
11	A	34.2	Very low	36.4	Very low	92 Å²	92	130.2 Å²	130.2	76%	0.76	79%	0.79	S	S	*	*	S	Bend	trans	-130.2	1.7	-167	0	0	0	0	0	117.5
12	A	39.8	Very low	36.2	Very low	84 Å²	84	125 Å²	125	69%	0.694	77%	0.766	S	S	*	*	S	Bend	trans	-97.3	-9.1	-173.9	0	0	0	0	0	115.8
13	L	40.2	Very low	36	Very low	151 Å²	151	120.9 Å²	120.9	79%	0.791	76%	0.758	S	S	*	*	S	Bend	trans	-90.8	-12.1	-172.5	-109.9	123.8	0	0	0	115.4
14	L	39.2	Very low	35.7	Very low	153 Å²	153	126.7 Å²	126.7	80%	0.801	76%	0.758	S	S	*	*	S	Bend	trans	-89	-13.6	180	-96.1	147.9	0	0	0	114.3
15	L	38.2	Very low	35.5	Very low	136 Å²	136	125.7 Å²	125.7	71%	0.712	75%	0.75	S	S	*	*	H	α-helix	trans	-87.5	-15.5	178.2	-92.7	145.3	0	0	0	114.2
16	W	39	Very low	35.2	Very low	211 Å²	211	131.7 Å²	131.7	80%	0.799	76%	0.756	S	S	*	*	H	α-helix	trans	-85.7	-23.5	-179.4	-93.5	73.5	0	0	0	114.7	S20	W16-S20 PolarHBondContact O-OG 3.01Å
17	I	40.5	Very low	34.8	Very low	118 Å²	118	125.9 Å²	125.9	61%	0.605	75%	0.749	S	S	*	*	H	α-helix	trans	-83.9	-29.9	179.9	-58.4	179.2	0	0	0	111.3	S20	I17-S20 PolarHBondContact O-OG 3.09Å
18	V	40.2	Very low	34.6	Very low	92 Å²	92	124.3 Å²	124.3	56%	0.558	74%	0.736	S	S	*	*	H	α-helix	trans	-75.8	-29.5	176.2	-173.1	0	0	0	0	111.9	L22	V18-L22 HydrophobicContact CG1-CD1 4.02Å
19	S	38	Very low	34.5	Very low	85 Å²	85	127 Å²	127	59%	0.594	74%	0.742	S	S	*	*	H	α-helix	trans	-78.9	-16.3	177.6	-161.8	0	0	0	0	114.2
20	S	37.8	Very low	34.6	Very low	76 Å²	76	125 Å²	125	53%	0.531	73%	0.729	S	S	.	*	H	α-helix	trans	-92.1	-22.5	179	43	0	0	0	0	113.4	W16 I17	W16-S20 PolarHBondContact O-OG 3.01Å; I17-S20 PolarHBondContact O-OG 3.09Å
21	C	33.2	Very low	34.9	Very low	102 Å²	102	127.2 Å²	127.2	69%	0.689	73%	0.726	S	S	*	*	H	α-helix	trans	-89	-17.7	177.1	-75.5	0	0	0	0	114.5
22	L	32.3	Very low	35.5	Very low	134 Å²	134	128 Å²	128	70%	0.702	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-86.7	-9.2	178	-83.4	156.5	0	0	0	114.7	V18	V18-L22 HydrophobicContact CG1-CD1 4.02Å
23	C	30.9	Very low	36.2	Very low	111 Å²	111	132.3 Å²	132.3	75%	0.75	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-92.4	11.6	176.6	-76.3	0	0	0	0	114.8
24	R	29.4	Very low	38	Very low	223 Å²	223	133.5 Å²	133.5	84%	0.842	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-107.2	1.3	175.8	-90	-172.3	173.6	-159	-0.7	115.1	W26	R24-W26 PolarHBondContact O-N 2.88Å
25	A	29.2	Very low	40.5	Very low	75 Å²	75	127.4 Å²	127.4	62%	0.62	70%	0.7	S	S	*	*	S	Bend	trans	-74.1	117.5	169	0	0	0	0	0	108.3	T27	A25-T27 PolarHBondContact O-N 3.34Å
26	W	29	Very low	43.3	Very low	254 Å²	254	124 Å²	124	96%	0.962	68%	0.683	S	S	*	*			trans	-47.3	94.9	174.6	-64.1	-5.9	0	0	0	110.9	R24 A28	R24-W26 PolarHBondContact O-N 2.88Å; W26-A28 PolarHBondContact O-N 2.69Å; W26-A28 VanDerWaalsContact O-N 3.12Å
27	T	28.6	Very low	46	Very low	135 Å²	135	119.1 Å²	119.1	83%	0.828	67%	0.669	S	S	*	*			trans	-71	108	161.6	49.5	0	0	0	0	105.4	A25	A25-T27 PolarHBondContact O-N 3.34Å
28	A	29.6	Very low	48.7	Very low	79 Å²	79	116.8 Å²	116.8	65%	0.653	66%	0.661	S	S	*	*			trans	-36.8	141.9	160.1	0	0	0	0	0	109.6	W26 S30	W26-A28 PolarHBondContact O-N 2.69Å; W26-A28 VanDerWaalsContact O-N 3.12Å; A28-S30 PolarHBondContact O-N 2.68Å; A28-S30 VanDerWaalsContact O-N 3.14Å
29	P	31.8	Very low	51.4	Low	126 Å²	126	113.6 Å²	113.6	82%	0.818	64%	0.641	S	S	*	*	S	Bend	trans	-45.7	126.1	-169.2	17.7	-30.5	0	0	0	109.5	T31	P29-T31 PolarHBondContact O-N 3.12Å; P29-T31 VanDerWaalsContact O-N 3.08Å
30	S	33.1	Very low	54.2	Low	104 Å²	104	109.5 Å²	109.5	73%	0.727	61%	0.613	S	S	*	*			trans	-39.5	121	179.2	49.6	0	0	0	0	108.5	A28 S32	A28-S30 PolarHBondContact O-N 2.68Å; A28-S30 VanDerWaalsContact O-N 3.14Å; S30-S32 PolarHBondContact O-N 2.89Å
31	T	38.3	Very low	56.7	Low	131 Å²	131	108.1 Å²	108.1	80%	0.804	60%	0.603	S	S	*	*			trans	-28.4	113.2	164.6	46.7	0	0	0	0	108.3	P29 Q33	P29-T31 PolarHBondContact O-N 3.12Å; P29-T31 VanDerWaalsContact O-N 3.08Å; T31-Q33 PolarHBondContact O-N 2.8Å
32	S	46.3	Very low	59.4	Low	109 Å²	109	106.9 Å²	106.9	76%	0.762	61%	0.608	S	S	*	*			trans	-46.7	112.4	-171.6	53.9	0	0	0	0	108.3	S30 K34	S30-S32 PolarHBondContact O-N 2.89Å; S32-K34 PolarHBondContact O-N 2.81Å
33	Q	56.1	Low	62.5	Low	173 Å²	173	101.9 Å²	101.9	81%	0.808	58%	0.581	S	S	*	*			trans	-58.1	114.3	178.6	-153.6	172.9	4.5	0	0	104.8	T31 C35	T31-Q33 PolarHBondContact O-N 2.8Å; Q33-C35 PolarHBondContact O-N 2.63Å
34	K	77.8	Confident	65.6	Low	176 Å²	176	100.3 Å²	100.3	77%	0.765	57%	0.569	S	S	*	*			trans	-56.6	120.7	-175.8	-76.2	-173.2	176	-173.5	0	107.6	S32 D36	S32-K34 PolarHBondContact O-N 2.81Å; K34-D36 HydrophobicContact CB-CB 4.48Å; K34-D36 PolarHBondContact O-N 3.32Å
35	C	91.9	Very high	68.7	Low	26 Å²	26	94.1 Å²	94.1	18%	0.176	55%	0.55	C	S	.	*	S	Bend	trans	-75.8	73.3	178.6	-174.4	0	0	0	0	108.5	Q33 S96 G180 C181	Q33-C35 PolarHBondContact O-N 2.63Å; C35-S96 VanDerWaalsContact O-CB 3.29Å; C35-S96 WeakPolarHBondContact O-CB 3.48Å; C35-S96 PolarHBondContact O-OG 3.21Å; C35-G180 VanDerWaalsContact SG-C 3.58Å; C35-C181 HydrophobicContact CB-CB 3.96Å; C35-C181 WeakPolarHBondContact CB-SG 3.43Å; C35-C181 WeakPolarHBondContact SG-CB 3.29Å; C35-C181 PolarHBondContact SG-N 3.32Å; C35-C181 CovalentContact SG-SG 2.05Å; C35-C181 PolarHBondContact SG-SG 3.36Å
36	D	95.5	Very high	71.8	Confident	64 Å²	64	97 Å²	97	34%	0.342	56%	0.559	S	S	.	*			trans	-144.8	27.2	-170.9	-168.7	26.5	0	0	0	112.4	K34 R147 Y179	K34-D36 HydrophobicContact CB-CB 4.48Å; K34-D36 PolarHBondContact O-N 3.32Å; D36-R147 IonicContact OD1-CZ 3.71Å; D36-R147 IonicContact OD1-NH1 2.89Å; D36-R147 PolarHBondContact OD1-NH1 3.43Å; D36-R147 IonicContact OD1-NH2 3.11Å; D36-R147 PolarHBondContact OD1-NH2 3.34Å; D36-R147 IonicContact OD2-NH2 2.69Å; D36-Y179 VanDerWaalsContact OD1-CB 3.3Å; D36-Y179 WeakPolarHBondContact OD1-CB 3.28Å
37	E	96.2	Very high	75.1	Confident	109 Å²	109	85.4 Å²	85.4	51%	0.509	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	141.1	179.4	-60	-65.7	161.4	0	0	110.6	L39 Y179 G180	E37-L39 PolarHBondContact O-N 3.44Å; E37-Y179 CarbonylContact O-C 3.55Å; E37-Y179 VanDerWaalsContact O-CA 3.29Å; E37-Y179 WeakPolarHBondContact O-CA 3.2Å; E37-G180 WeakPolarHBondContact CB-O 3.48Å; E37-G180 PolarHBondContact N-O 3.06Å; E37-G180 PolarHBondContact O-N 3.07Å
38	P	97.2	Very high	78.4	Confident	69 Å²	69	79.6 Å²	79.6	45%	0.448	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.7	176.1	27.4	-33.6	0	0	0	111.2	E177 Y179	P38-E177 HydrophobicContact CB-CG 4.16Å; P38-Y179 HydrophobicContact CB-CD1 4.26Å; P38-Y179 HydrophobicContact CB-CE1 4.18Å
39	L	97.1	Very high	81.6	Confident	24 Å²	24	77.9 Å²	77.9	13%	0.126	47%	0.465	C	S	.	.	S	Bend	trans	-100.4	-22	-172.8	-57.6	179	0	0	0	113.5	E37 L43 F89 K93 I95 E177 V178	E37-L39 PolarHBondContact O-N 3.44Å; L39-L43 WeakPolarHBondContact O-CD1 3.34Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-F89 HydrophobicContact CB-CD1 4.06Å; L39-F89 HydrophobicContact CB-CE1 3.71Å; L39-F89 HydrophobicContact CB-CZ 4.47Å; L39-F89 HydrophobicContact CD1-CE1 4.43Å; L39-K93 HydrophobicContact CD1-CB 3.96Å; L39-K93 HydrophobicContact CD1-CG 4.09Å; L39-K93 HydrophobicContact CD2-CD 4.49Å; L39-I95 HydrophobicContact CD1-CG1 4.4Å; L39-E177 PolarHBondContact N-OE1 3.33Å; L39-V178 VanDerWaalsContact CB-O 3.26Å; L39-V178 WeakPolarHBondContact CB-O 3.26Å; L39-V178 HydrophobicContact CD1-CG1 4.33Å; L39-V178 WeakPolarHBondContact CG-O 3.08Å; L39-V178 PolarHBondContact N-O 2.95Å
40	V	96.7	Very high	84.6	Confident	0 Å²	0	73 Å²	73	0%	0	43%	0.433	C	S	.	.	S	Bend	trans	-95.5	-40.9	-172	-178.7	0	0	0	0	112.2	G42 L43 F48 K64 F89 I176 E177 V178	V40-G42 PolarHBondContact O-N 3.46Å; V40-L43 WeakPolarHBondContact O-CB 3.29Å; V40-L43 PolarHBondContact O-N 3.35Å; V40-F48 HydrophobicContact CG1-CE1 3.56Å; V40-F48 HydrophobicContact CG1-CZ 3.39Å; V40-K64 HydrophobicContact CG1-CG 4.4Å; V40-F89 HydrophobicContact CG2-CE1 4.18Å; V40-I176 HydrophobicContact CG1-CG1 4.49Å; V40-E177 WeakPolarHBondContact CA-OE1 3.35Å; V40-E177 WeakPolarHBondContact CB-OE1 3.2Å; V40-E177 WeakPolarHBondContact CG2-OE1 3.08Å; V40-E177 PolarHBondContact N-OE1 2.8Å; V40-V178 HydrophobicContact CG2-CB 3.8Å; V40-V178 HydrophobicContact CG2-CG2 3.82Å
41	S	90.5	Very high	87.5	Confident	46 Å²	46	70 Å²	70	32%	0.322	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-41	-174.3	-82	0	0	0	0	114	K64 E177	S41-K64 PolarHBondContact O-NZ 3.36Å; S41-K64 VanDerWaalsContact O-NZ 3.08Å; S41-E177 VanDerWaalsContact CB-OE2 3.23Å; S41-E177 WeakPolarHBondContact CB-OE2 3.36Å; S41-E177 PolarHBondContact N-OE2 3.23Å; S41-E177 VanDerWaalsContact N-OE2 3.11Å; S41-E177 PolarHBondContact OG-OE2 3.22Å
42	G	90.2	Very high	90.2	Very high	77 Å²	77	65.2 Å²	65.2	79%	0.794	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9	-178.5	0	0	0	0	0	116.3	V40	V40-G42 PolarHBondContact O-N 3.46Å
43	L	96.3	Very high	92.5	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	36%	0.364	C	S	.	.			trans	-73.9	146.6	-172	-65.9	175.9	0	0	0	113.3	L39 V40 A47 F48 K64 V87 F89	L39-L43 WeakPolarHBondContact O-CD1 3.34Å; L39-L43 VanDerWaalsContact O-CG 3.27Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; V40-L43 WeakPolarHBondContact O-CB 3.29Å; V40-L43 PolarHBondContact O-N 3.35Å; L43-A47 HydrophobicContact CB-CB 3.94Å; L43-A47 HydrophobicContact CD1-CB 4.29Å; L43-F48 HydrophobicContact CB-CE2 3.88Å; L43-F48 HydrophobicContact CB-CZ 4.33Å; L43-K64 WeakPolarHBondContact O-CE 3.49Å; L43-K64 PolarHBondContact O-NZ 3.1Å; L43-V87 HydrophobicContact CD1-CG1 3.35Å; L43-F89 HydrophobicContact CD1-CD1 3.89Å; L43-F89 HydrophobicContact CD1-CE1 4.17Å
44	P	96	Very high	94.3	Very high	78 Å²	78	57.6 Å²	57.6	51%	0.506	34%	0.343	S	S	.	.			trans	-71.1	162.8	174.3	31.9	-36.4	0	0	0	111.8	V46 A47 F48	P44-V46 HydrophobicContact CB-CG2 4.06Å; P44-V46 HydrophobicContact CG-CG2 3.85Å; P44-V46 PolarHBondContact O-N 3.26Å; P44-A47 HydrophobicContact CG-CB 4.29Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.45Å; P44-A47 PolarHBondContact O-N 3.3Å; P44-F48 WeakPolarHBondContact O-CD2 3.41Å
45	H	94.2	Very high	95.1	Very high	94 Å²	94	51.8 Å²	51.8	44%	0.435	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-58.4	-32.4	179.7	-80	65.1	0	0	0	113.1	A47 F48 Y62	H45-A47 PolarHBondContact O-N 3.29Å; H45-F48 PolarHBondContact O-N 3.47Å; H45-Y62 AromaticContact NE2-CD1 3.55Å; H45-Y62 AromaticContact NE2-CE1 3.32Å; H45-Y62 VanDerWaalsContact NE2-CE1 3.32Å; H45-Y62 WeakPolarHBondContact NE2-CE1 3.45Å; H45-Y62 AromaticContact NE2-CZ 3.87Å
46	V	95.7	Very high	95.1	Very high	134 Å²	134	53.4 Å²	53.4	81%	0.812	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.2	-14.4	179.4	-60.3	0	0	0	0	113.8	P44 F48	P44-V46 HydrophobicContact CB-CG2 4.06Å; P44-V46 HydrophobicContact CG-CG2 3.85Å; P44-V46 PolarHBondContact O-N 3.26Å; V46-F48 PolarHBondContact O-N 3.39Å
47	A	97.7	Very high	95.1	Very high	11 Å²	11	52.7 Å²	52.7	9%	0.091	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-76.1	-8.1	174.9	0	0	0	0	0	112.7	L43 P44 H45 V87 D88	L43-A47 HydrophobicContact CB-CB 3.94Å; L43-A47 HydrophobicContact CD1-CB 4.29Å; P44-A47 HydrophobicContact CG-CB 4.29Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.45Å; P44-A47 PolarHBondContact O-N 3.3Å; H45-A47 PolarHBondContact O-N 3.29Å; A47-V87 CarbonylContact O-C 3.46Å; A47-V87 WeakPolarHBondContact O-CA 3.28Å; A47-D88 WeakPolarHBondContact CB-O 3.45Å; A47-D88 PolarHBondContact O-N 3.46Å
48	F	98	Very high	95.1	Very high	14 Å²	14	49.9 Å²	49.9	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	-177	-60.8	-104.9	0	0	0	110.8	V40 L43 P44 H45 V46 P60 K64 Q86 V87	V40-F48 HydrophobicContact CG1-CE1 3.56Å; V40-F48 HydrophobicContact CG1-CZ 3.39Å; L43-F48 HydrophobicContact CB-CE2 3.88Å; L43-F48 HydrophobicContact CB-CZ 4.33Å; P44-F48 WeakPolarHBondContact O-CD2 3.41Å; H45-F48 PolarHBondContact O-N 3.47Å; V46-F48 PolarHBondContact O-N 3.39Å; F48-P60 HydrophobicContact CB-CB 3.94Å; F48-P60 HydrophobicContact CB-CG 4.41Å; F48-P60 WeakPolarHBondContact CD1-O 3.41Å; F48-K64 HydrophobicContact CZ-CG 3.98Å; F48-Q86 WeakPolarHBondContact CA-O 3.35Å; F48-V87 HydrophobicContact CD1-CG2 3.83Å; F48-V87 HydrophobicContact CE1-CG2 3.81Å
49	S	96.9	Very high	95.1	Very high	43 Å²	43	48.4 Å²	48.4	30%	0.301	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	164.8	171.2	60.3	0	0	0	0	110.1	Q86	S49-Q86 PolarHBondContact N-O 3Å; S49-Q86 PolarHBondContact O-N 3.29Å; S49-Q86 WeakPolarHBondContact OG-CB 3.41Å; S49-Q86 PolarHBondContact OG-NE2 3.37Å
50	S	95.6	Very high	95.1	Very high	23 Å²	23	47.9 Å²	47.9	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.9	178.8	56.7	0	0	0	0	111.3	S52 W74 W84	S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.44Å; S50-S52 PolarHBondContact OG-O 3.23Å; S50-W74 PolarHBondContact OG-NE1 3.31Å; S50-W74 VanDerWaalsContact OG-NE1 3.12Å; S50-W84 CarbonylContact C-O 3.59Å; S50-W84 WeakPolarHBondContact CA-O 3.15Å; S50-W84 VanDerWaalsContact CB-O 3.26Å; S50-W84 WeakPolarHBondContact CB-O 3.41Å; S50-W84 WeakPolarHBondContact O-CH2 3.33Å
51	S	93.3	Very high	95.1	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	32%	0.321	S	S	.	.	S	Bend	trans	-54.2	-47.6	170.4	49.6	0	0	0	0	111.9	Q83 W84	S51-Q83 WeakPolarHBondContact OG-CA 3.36Å; S51-Q83 PolarHBondContact OG-OE1 3.29Å; S51-W84 PolarHBondContact N-O 3.48Å; S51-W84 PolarHBondContact OG-N 3.32Å; S51-W84 VanDerWaalsContact OG-N 3.1Å; S51-W84 PolarHBondContact OG-O 3.01Å
52	S	94.1	Very high	95.4	Very high	31 Å²	31	49 Å²	49	22%	0.217	32%	0.318	C	S	.	.			trans	-160.5	-177.9	175.4	69.4	0	0	0	0	110.6	S50 W74 S77 Q83	S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.44Å; S50-S52 PolarHBondContact OG-O 3.23Å; S52-W74 PolarHBondContact O-NE1 2.82Å; S52-S77 WeakPolarHBondContact CB-OG 3.32Å; S52-S77 WeakPolarHBondContact OG-CB 3.46Å; S52-S77 PolarHBondContact OG-N 2.87Å; S52-S77 PolarHBondContact OG-OG 3.34Å; S52-Q83 PolarHBondContact OG-OE1 3.25Å
53	S	95.3	Very high	95.7	Very high	47 Å²	47	45.4 Å²	45.4	33%	0.329	28%	0.281	S	S	.	.			trans	-147.7	141.2	171.2	62	0	0	0	0	109.5	S55 S75	S53-S55 VanDerWaalsContact C-N 3.28Å; S53-S55 PolarHBondContact O-N 3.36Å; S53-S75 WeakPolarHBondContact CA-O 3.46Å
54	I	93.9	Very high	95.7	Very high	75 Å²	75	45.4 Å²	45.4	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-53.3	-47.8	177.3	-61.9	177.2	0	0	0	111.4	Y58 S75 P76	I54-Y58 HydrophobicContact CB-CD2 4.03Å; I54-Y58 HydrophobicContact CB-CG 4.07Å; I54-Y58 HydrophobicContact CD1-CD1 4.12Å; I54-Y58 HydrophobicContact CD1-CE1 4.2Å; I54-Y58 HydrophobicContact CD1-CG 4.4Å; I54-Y58 HydrophobicContact CG2-CD2 4.3Å; I54-Y58 HydrophobicContact CG2-CE2 4.4Å; I54-S75 PolarHBondContact N-O 2.79Å; I54-S75 VanDerWaalsContact N-O 3.13Å; I54-P76 WeakPolarHBondContact CG1-O 3.39Å
55	S	94.5	Very high	95.7	Very high	53 Å²	53	42.1 Å²	42.1	37%	0.371	26%	0.258	S	S	.	.	S	Bend	trans	-160.2	177.8	174.9	69.5	0	0	0	0	109.6	S53 S57 Y58	S53-S55 VanDerWaalsContact C-N 3.28Å; S53-S55 PolarHBondContact O-N 3.36Å; S55-S57 PolarHBondContact O-N 3.21Å; S55-S57 VanDerWaalsContact O-N 3.12Å; S55-S57 PolarHBondContact OG-OG 3.27Å; S55-S57 VanDerWaalsContact OG-OG 3.11Å; S55-Y58 PolarHBondContact O-N 3.17Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.35Å
56	G	93	Very high	95.7	Very high	61 Å²	61	42.7 Å²	42.7	63%	0.629	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-57	-27.7	-179.5	0	0	0	0	0	114.6	Y58 S59	G56-Y58 VanDerWaalsContact C-N 3.27Å; G56-Y58 PolarHBondContact O-N 3.32Å; G56-S59 VanDerWaalsContact O-CB 3.31Å; G56-S59 WeakPolarHBondContact O-CB 3.2Å; G56-S59 PolarHBondContact O-N 2.68Å
57	S	95	Very high	95.6	Very high	48 Å²	48	41.8 Å²	41.8	34%	0.336	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-74.1	-16.4	176.3	57.4	0	0	0	0	113.7	S55 Y62 G70 A71	S55-S57 PolarHBondContact O-N 3.21Å; S55-S57 VanDerWaalsContact O-N 3.12Å; S55-S57 PolarHBondContact OG-OG 3.27Å; S55-S57 VanDerWaalsContact OG-OG 3.11Å; S57-Y62 WeakPolarHBondContact O-CD2 3.31Å; S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.43Å; S57-A71 PolarHBondContact O-N 3.5Å
58	Y	96.4	Very high	95.4	Very high	51 Å²	51	49.3 Å²	49.3	20%	0.2	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-104.1	17.8	176.5	-63.6	-100.2	0	0	0	112	I54 S55 G56 A71 W74	I54-Y58 HydrophobicContact CB-CD2 4.03Å; I54-Y58 HydrophobicContact CB-CG 4.07Å; I54-Y58 HydrophobicContact CD1-CD1 4.12Å; I54-Y58 HydrophobicContact CD1-CE1 4.2Å; I54-Y58 HydrophobicContact CD1-CG 4.4Å; I54-Y58 HydrophobicContact CG2-CD2 4.3Å; I54-Y58 HydrophobicContact CG2-CE2 4.4Å; S55-Y58 PolarHBondContact O-N 3.17Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.35Å; G56-Y58 VanDerWaalsContact C-N 3.27Å; G56-Y58 PolarHBondContact O-N 3.32Å; Y58-A71 HydrophobicContact CD1-CB 3.83Å; Y58-A71 HydrophobicContact CD2-CB 3.92Å; Y58-A71 HydrophobicContact CE1-CB 3.61Å; Y58-A71 HydrophobicContact CE2-CB 3.67Å; Y58-A71 HydrophobicContact CG-CB 4Å; Y58-W74 VanDerWaalsContact O-CD1 3.25Å
59	S	96.4	Very high	95	Very high	38 Å²	38	50.1 Å²	50.1	27%	0.266	29%	0.288	S	S	.	.			trans	-56.1	145.6	-179.7	176.1	0	0	0	0	112.1	G56 G61 Y62	G56-S59 VanDerWaalsContact O-CB 3.31Å; G56-S59 WeakPolarHBondContact O-CB 3.2Å; G56-S59 PolarHBondContact O-N 2.68Å; S59-G61 PolarHBondContact O-N 3.25Å; S59-G61 VanDerWaalsContact O-N 3.08Å; S59-Y62 PolarHBondContact O-N 2.92Å; S59-Y62 VanDerWaalsContact O-N 3.08Å
60	P	97	Very high	94.7	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.078	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.8	-179.1	25.3	-38.1	0	0	0	114.2	F48 Y62 A63 W74 L85	F48-P60 HydrophobicContact CB-CB 3.94Å; F48-P60 HydrophobicContact CB-CG 4.41Å; F48-P60 WeakPolarHBondContact CD1-O 3.41Å; P60-Y62 PolarHBondContact O-N 2.91Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; P60-A63 WeakPolarHBondContact O-CB 3.44Å; P60-A63 PolarHBondContact O-N 3.25Å; P60-W74 HydrophobicContact CB-CG 4.42Å; P60-L85 HydrophobicContact CB-CD1 3.42Å; P60-L85 VanDerWaalsContact CB-CD1 3.42Å
61	G	96.4	Very high	94.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.6	-16.8	176.8	0	0	0	0	0	115.3	S59	S59-G61 PolarHBondContact O-N 3.25Å; S59-G61 VanDerWaalsContact O-N 3.08Å
62	Y	97	Very high	94.7	Very high	70 Å²	70	48.3 Å²	48.3	28%	0.275	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-86.9	-4.1	174.1	-63.2	-59.7	0	0	0	113.8	H45 S57 S59 P60 K64 G70	H45-Y62 AromaticContact NE2-CD1 3.55Å; H45-Y62 AromaticContact NE2-CE1 3.32Å; H45-Y62 VanDerWaalsContact NE2-CE1 3.32Å; H45-Y62 WeakPolarHBondContact NE2-CE1 3.45Å; H45-Y62 AromaticContact NE2-CZ 3.87Å; S57-Y62 WeakPolarHBondContact O-CD2 3.31Å; S59-Y62 PolarHBondContact O-N 2.92Å; S59-Y62 VanDerWaalsContact O-N 3.08Å; P60-Y62 PolarHBondContact O-N 2.91Å; P60-Y62 VanDerWaalsContact O-N 3.14Å; Y62-K64 PolarHBondContact O-N 3.17Å; Y62-G70 VanDerWaalsContact CE1-N 3.33Å
63	A	96.7	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.273	C	S	.	.			trans	-76.1	47.1	-177	0	0	0	0	0	113.7	P60 W74 L85 I176	P60-A63 WeakPolarHBondContact O-CB 3.44Å; P60-A63 PolarHBondContact O-N 3.25Å; A63-W74 HydrophobicContact CB-CB 3.72Å; A63-L85 HydrophobicContact CB-CD1 4.03Å; A63-L85 HydrophobicContact CB-CD2 3.45Å; A63-L85 VanDerWaalsContact CB-CD2 3.45Å; A63-L85 HydrophobicContact CB-CG 4.39Å; A63-I176 WeakPolarHBondContact O-CG1 3.42Å; A63-I176 PolarHBondContact O-N 3.06Å
64	K	97.1	Very high	94.9	Very high	28 Å²	28	44.6 Å²	44.6	12%	0.122	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-107.6	130.9	-179.2	-62.3	-176.1	177.2	-168.7	0	110.9	V40 S41 L43 F48 Y62 K67 R175	V40-K64 HydrophobicContact CG1-CG 4.4Å; S41-K64 PolarHBondContact O-NZ 3.36Å; S41-K64 VanDerWaalsContact O-NZ 3.08Å; L43-K64 WeakPolarHBondContact O-CE 3.49Å; L43-K64 PolarHBondContact O-NZ 3.1Å; F48-K64 HydrophobicContact CZ-CG 3.98Å; Y62-K64 PolarHBondContact O-N 3.17Å; K64-K67 HydrophobicContact CB-CB 4.01Å; K64-K67 HydrophobicContact CB-CG 3.66Å; K64-K67 HydrophobicContact CD-CG 4.42Å; K64-K67 WeakPolarHBondContact O-CB 3.46Å; K64-K67 PolarHBondContact O-N 2.9Å; K64-K67 VanDerWaalsContact O-N 3.17Å; K64-R175 WeakPolarHBondContact O-CD 3.35Å
65	I	95.4	Very high	95.1	Very high	10 Å²	10	41 Å²	41	5%	0.051	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141.1	-179.4	-144.3	162.3	0	0	0	111.7	K67 A99 Q101 V145 I176 E177	I65-K67 PolarHBondContact O-N 3.06Å; I65-A99 HydrophobicContact CD1-CB 3.7Å; I65-Q101 HydrophobicContact CD1-CB 4.37Å; I65-Q101 HydrophobicContact CG1-CB 3.9Å; I65-V145 HydrophobicContact CD1-CB 4.19Å; I65-V145 HydrophobicContact CD1-CG1 3.49Å; I65-V145 VanDerWaalsContact CD1-CG1 3.49Å; I65-V145 HydrophobicContact CD1-CG2 3.69Å; I65-V145 HydrophobicContact CG1-CG2 3.84Å; I65-I176 PolarHBondContact N-O 3.06Å; I65-E177 HydrophobicContact CB-CB 3.96Å; I65-E177 HydrophobicContact CD1-CB 4.13Å; I65-E177 HydrophobicContact CG2-CB 3.64Å; I65-E177 HydrophobicContact CG2-CG 4.25Å
66	N	94.7	Very high	95.2	Very high	105 Å²	105	38.5 Å²	38.5	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	6	-179.7	-62.8	-39.9	0	0	0	115.9	Q101	N66-Q101 PolarHBondContact OD1-NE2 3.43Å
67	K	93.5	Very high	95.3	Very high	115 Å²	115	37.8 Å²	37.8	50%	0.5	21%	0.207	S	C	.	.			trans	-90	154.3	170.1	-58.5	-60.1	-177.1	179.9	0	110	K64 I65 R175	K64-K67 HydrophobicContact CB-CB 4.01Å; K64-K67 HydrophobicContact CB-CG 3.66Å; K64-K67 HydrophobicContact CD-CG 4.42Å; K64-K67 WeakPolarHBondContact O-CB 3.46Å; K64-K67 PolarHBondContact O-N 2.9Å; K64-K67 VanDerWaalsContact O-N 3.17Å; I65-K67 PolarHBondContact O-N 3.06Å; K67-R175 VanDerWaalsContact O-CD 3.32Å; K67-R175 WeakPolarHBondContact O-CD 3.46Å; K67-R175 PolarHBondContact O-NH1 3.42Å
68	R	93	Very high	95.2	Very high	170 Å²	170	39.8 Å²	39.8	64%	0.642	21%	0.214	S	C	*	.			trans	-123.7	20	-177.1	-55	179.6	-174.8	-175.7	-2.2	112.1	Y104	R68-Y104 HydrophobicContact CB-CD1 4.37Å; R68-Y104 HydrophobicContact CG-CD1 4.13Å; R68-Y104 HydrophobicContact CG-CD2 4.03Å; R68-Y104 HydrophobicContact CG-CE1 4.29Å; R68-Y104 HydrophobicContact CG-CE2 4.17Å; R68-Y104 HydrophobicContact CG-CG 3.99Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.15Å
69	G	89.8	Confident	95	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	22%	0.215	S	C	.	.			trans	-69.3	155.1	-179.1	0	0	0	0	0	112.1	G72	G69-G72 WeakPolarHBondContact O-CA 3.48Å; G69-G72 PolarHBondContact O-N 3.44Å
70	G	91.3	Very high	94.7	Very high	44 Å²	44	39.1 Å²	39.1	45%	0.454	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-134.8	-178.2	0	0	0	0	0	111.7	S57 Y62 G72	S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.43Å; Y62-G70 VanDerWaalsContact CE1-N 3.33Å; G70-G72 PolarHBondContact O-N 3.3Å
71	A	93.9	Very high	94.2	Very high	22 Å²	22	44.2 Å²	44.2	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	17.3	171	0	0	0	0	0	112.8	S57 Y58 R103	S57-A71 PolarHBondContact O-N 3.5Å; Y58-A71 HydrophobicContact CD1-CB 3.83Å; Y58-A71 HydrophobicContact CD2-CB 3.92Å; Y58-A71 HydrophobicContact CE1-CB 3.61Å; Y58-A71 HydrophobicContact CE2-CB 3.67Å; Y58-A71 HydrophobicContact CG-CB 4Å; A71-R103 WeakPolarHBondContact O-CD 3.19Å; A71-R103 WeakPolarHBondContact O-CG 3.43Å; A71-R103 PolarHBondContact O-NH1 3.04Å
72	G	94.9	Very high	93.8	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	90.1	12.9	175.8	0	0	0	0	0	115.8	G69 G70 Y104 R175	G69-G72 WeakPolarHBondContact O-CA 3.48Å; G69-G72 PolarHBondContact O-N 3.44Å; G70-G72 PolarHBondContact O-N 3.3Å; G72-Y104 PolarHBondContact O-N 2.7Å; G72-R175 VanDerWaalsContact O-CD 3.26Å; G72-R175 WeakPolarHBondContact O-CD 3.35Å; G72-R175 PolarHBondContact O-NE 3.44Å
73	G	96.3	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	153.5	-179.8	-179.3	0	0	0	0	0	112.4
74	W	97.5	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-88.5	140.9	174.5	169.1	74.5	0	0	0	111.8	S50 S52 Y58 P60 A63 P76 Q83 W84 L85 P163 I172 G173 L174	S50-W74 PolarHBondContact OG-NE1 3.31Å; S50-W74 VanDerWaalsContact OG-NE1 3.12Å; S52-W74 PolarHBondContact O-NE1 2.82Å; Y58-W74 VanDerWaalsContact O-CD1 3.25Å; P60-W74 HydrophobicContact CB-CG 4.42Å; A63-W74 HydrophobicContact CB-CB 3.72Å; W74-P76 HydrophobicContact CH2-CB 4.23Å; W74-P76 HydrophobicContact CH2-CG 4.05Å; W74-P76 HydrophobicContact CZ2-CB 3.8Å; W74-P76 HydrophobicContact CZ2-CG 4.09Å; W74-Q83 HydrophobicContact CH2-CB 4.29Å; W74-W84 WeakPolarHBondContact CH2-O 3.12Å; W74-W84 VanDerWaalsContact CZ2-O 3.28Å; W74-W84 WeakPolarHBondContact CZ2-O 3.3Å; W74-L85 HydrophobicContact CB-CD1 4.36Å; W74-L85 HydrophobicContact CD2-CB 4.17Å; W74-L85 HydrophobicContact CD2-CD1 4.1Å; W74-L85 HydrophobicContact CE3-CB 3.82Å; W74-L85 HydrophobicContact CE3-CD1 4.47Å; W74-L85 HydrophobicContact CE3-CD2 4.26Å; W74-L85 HydrophobicContact CE3-CG 4.41Å; W74-L85 HydrophobicContact CG-CD1 4.07Å; W74-L85 HydrophobicContact CH2-CB 4.13Å; W74-L85 HydrophobicContact CZ2-CB 4.48Å; W74-L85 HydrophobicContact CZ3-CB 3.81Å; W74-P163 HydrophobicContact CZ3-CG 4.43Å; W74-I172 HydrophobicContact CH2-CG2 4.3Å; W74-I172 HydrophobicContact CZ3-CG2 3.8Å; W74-G173 WeakPolarHBondContact O-CA 3.11Å; W74-L174 HydrophobicContact CE3-CB 4.07Å; W74-L174 HydrophobicContact CE3-CD1 4.11Å; W74-L174 HydrophobicContact CE3-CG 4.39Å; W74-L174 HydrophobicContact CZ3-CD1 3.86Å; W74-L174 HydrophobicContact CZ3-CG 4.45Å; W74-L174 PolarHBondContact N-O 3.34Å; W74-L174 PolarHBondContact O-N 2.76Å
75	S	97.8	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.			trans	-142.8	133.9	166.2	-65.9	0	0	0	0	110.7	S53 I54 I172	S53-S75 WeakPolarHBondContact CA-O 3.46Å; I54-S75 PolarHBondContact N-O 2.79Å; I54-S75 VanDerWaalsContact N-O 3.13Å; S75-I172 WeakPolarHBondContact CB-O 3.5Å; S75-I172 PolarHBondContact OG-O 3.3Å
76	P	96.9	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.			trans	-72.3	161.2	175.9	29.3	-33.9	0	0	0	112.8	I54 W74 D78 Q83 I172	I54-P76 WeakPolarHBondContact CG1-O 3.39Å; W74-P76 HydrophobicContact CH2-CB 4.23Å; W74-P76 HydrophobicContact CH2-CG 4.05Å; W74-P76 HydrophobicContact CZ2-CB 3.8Å; W74-P76 HydrophobicContact CZ2-CG 4.09Å; P76-D78 VanDerWaalsContact C-N 3.3Å; P76-D78 WeakPolarHBondContact CB-O 3.15Å; P76-D78 VanDerWaalsContact CG-O 3.22Å; P76-D78 WeakPolarHBondContact CG-O 3.47Å; P76-D78 PolarHBondContact O-N 3.22Å; P76-Q83 HydrophobicContact CB-CB 4.04Å; P76-Q83 HydrophobicContact CB-CG 3.74Å; P76-Q83 HydrophobicContact CG-CB 3.92Å; P76-Q83 HydrophobicContact CG-CG 3.71Å; P76-I172 HydrophobicContact CG-CB 3.81Å; P76-I172 HydrophobicContact CG-CD1 4.05Å; P76-I172 HydrophobicContact CG-CG2 3.85Å
77	S	94.8	Very high	94	Very high	46 Å²	46	41.8 Å²	41.8	32%	0.322	22%	0.218	S	C	.	.	S	Bend	trans	-55.2	-46.4	175.2	56.3	0	0	0	0	112	S52 R171	S52-S77 WeakPolarHBondContact CB-OG 3.32Å; S52-S77 WeakPolarHBondContact OG-CB 3.46Å; S52-S77 PolarHBondContact OG-N 2.87Å; S52-S77 PolarHBondContact OG-OG 3.34Å; S77-R171 PolarHBondContact O-NH2 2.84Å
78	D	92	Very high	94.2	Very high	91 Å²	91	38.1 Å²	38.1	49%	0.487	20%	0.204	S	C	.	.	S	Bend	trans	-116.2	147	-177.5	-56.6	-74.4	0	0	0	108.7	P76 Q83	P76-D78 VanDerWaalsContact C-N 3.3Å; P76-D78 WeakPolarHBondContact CB-O 3.15Å; P76-D78 VanDerWaalsContact CG-O 3.22Å; P76-D78 WeakPolarHBondContact CG-O 3.47Å; P76-D78 PolarHBondContact O-N 3.22Å; D78-Q83 VanDerWaalsContact O-CG 3.27Å; D78-Q83 WeakPolarHBondContact O-CG 3.13Å
79	S	91.9	Very high	94.5	Very high	32 Å²	32	30.7 Å²	30.7	22%	0.224	18%	0.176	C	C	.	.			trans	-103.8	83.4	173.9	-62.6	0	0	0	0	108	W166 R171 I172	S79-W166 WeakPolarHBondContact O-CH2 3.43Å; S79-W166 WeakPolarHBondContact O-CZ2 3.43Å; S79-R171 WeakPolarHBondContact OG-CB 3.25Å; S79-I172 PolarHBondContact OG-N 3.39Å
80	D	90.3	Very high	94.7	Very high	43 Å²	43	31.3 Å²	31.3	23%	0.23	18%	0.183	C	C	.	.	S	Bend	trans	-133	178.2	177.3	69.8	25.4	0	0	0	110.7	Y82 Q83	D80-Y82 PolarHBondContact O-N 3.41Å; D80-Y82 PolarHBondContact OD1-N 2.89Å; D80-Q83 WeakPolarHBondContact O-CG 3.31Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.36Å; D80-Q83 PolarHBondContact OD1-NE2 2.86Å
81	H	87.2	Confident	94.9	Very high	119 Å²	119	32.7 Å²	32.7	55%	0.551	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	3.2	-175.5	-58.3	91.7	0	0	0	114.3	L164	H81-L164 PolarHBondContact CD2-O 2.88Å; H81-L164 VanDerWaalsContact CD2-O 3.22Å; H81-L164 PolarHBondContact NE2-O 3.35Å
82	Y	88.2	Confident	95	Very high	69 Å²	69	33.5 Å²	33.5	27%	0.271	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	1.3	178.8	-55.6	-73.3	0	0	0	112.7	D80 F544 A545 N546	D80-Y82 PolarHBondContact O-N 3.41Å; D80-Y82 PolarHBondContact OD1-N 2.89Å; Y82-F544 AromaticContact CD1-CE2 3.99Å; Y82-F544 HydrophobicContact CD1-CE2 3.99Å; Y82-F544 HydrophobicContact CE1-CD2 4.27Å; Y82-F544 AromaticContact CE1-CE2 3.81Å; Y82-F544 HydrophobicContact CE1-CE2 3.81Å; Y82-A545 WeakPolarHBondContact OH-CA 3.35Å; Y82-N546 PolarHBondContact OH-N 3.34Å
83	Q	94.7	Very high	95.1	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.056	18%	0.183	C	C	.	.			trans	-79.8	147.9	-176.7	-53	-53.6	-39.5	0	0	111.8	S51 S52 W74 P76 D78 D80 P163 I172	S51-Q83 WeakPolarHBondContact OG-CA 3.36Å; S51-Q83 PolarHBondContact OG-OE1 3.29Å; S52-Q83 PolarHBondContact OG-OE1 3.25Å; W74-Q83 HydrophobicContact CH2-CB 4.29Å; P76-Q83 HydrophobicContact CB-CB 4.04Å; P76-Q83 HydrophobicContact CB-CG 3.74Å; P76-Q83 HydrophobicContact CG-CB 3.92Å; P76-Q83 HydrophobicContact CG-CG 3.71Å; D78-Q83 VanDerWaalsContact O-CG 3.27Å; D78-Q83 WeakPolarHBondContact O-CG 3.13Å; D80-Q83 WeakPolarHBondContact O-CG 3.31Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.36Å; D80-Q83 PolarHBondContact OD1-NE2 2.86Å; Q83-P163 VanDerWaalsContact O-CD 3.26Å; Q83-P163 WeakPolarHBondContact O-CD 3.34Å; Q83-I172 HydrophobicContact CB-CD1 3.97Å; Q83-I172 HydrophobicContact CG-CD1 3.97Å
84	W	95.8	Very high	95.2	Very high	62 Å²	62	37.7 Å²	37.7	24%	0.235	20%	0.197	C	C	.	.			trans	-155.3	151.3	177.2	53.5	-97.6	0	0	0	112.3	S50 S51 W74 Q86 R160 I161 V162	S50-W84 CarbonylContact C-O 3.59Å; S50-W84 WeakPolarHBondContact CA-O 3.15Å; S50-W84 VanDerWaalsContact CB-O 3.26Å; S50-W84 WeakPolarHBondContact CB-O 3.41Å; S50-W84 WeakPolarHBondContact O-CH2 3.33Å; S51-W84 PolarHBondContact N-O 3.48Å; S51-W84 PolarHBondContact OG-N 3.32Å; S51-W84 VanDerWaalsContact OG-N 3.1Å; S51-W84 PolarHBondContact OG-O 3.01Å; W74-W84 WeakPolarHBondContact CH2-O 3.12Å; W74-W84 VanDerWaalsContact CZ2-O 3.28Å; W74-W84 WeakPolarHBondContact CZ2-O 3.3Å; W84-Q86 HydrophobicContact CE3-CB 3.81Å; W84-Q86 HydrophobicContact CZ3-CB 3.67Å; W84-R160 HydrophobicContact CB-CG 3.65Å; W84-R160 HydrophobicContact CD2-CG 4.4Å; W84-R160 HydrophobicContact CE3-CG 4.27Å; W84-R160 HydrophobicContact CG-CG 4.18Å; W84-I161 VanDerWaalsContact CA-O 3.29Å; W84-I161 WeakPolarHBondContact CA-O 3.45Å; W84-V162 HydrophobicContact CB-CG2 4.23Å
85	L	98.1	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132	172.3	173.5	67.6	0	0	0	109	P60 A63 W74 R160 I161 L174 I176	P60-L85 HydrophobicContact CB-CD1 3.42Å; P60-L85 VanDerWaalsContact CB-CD1 3.42Å; A63-L85 HydrophobicContact CB-CD1 4.03Å; A63-L85 HydrophobicContact CB-CD2 3.45Å; A63-L85 VanDerWaalsContact CB-CD2 3.45Å; A63-L85 HydrophobicContact CB-CG 4.39Å; W74-L85 HydrophobicContact CB-CD1 4.36Å; W74-L85 HydrophobicContact CD2-CB 4.17Å; W74-L85 HydrophobicContact CD2-CD1 4.1Å; W74-L85 HydrophobicContact CE3-CB 3.82Å; W74-L85 HydrophobicContact CE3-CD1 4.47Å; W74-L85 HydrophobicContact CE3-CD2 4.26Å; W74-L85 HydrophobicContact CE3-CG 4.41Å; W74-L85 HydrophobicContact CG-CD1 4.07Å; W74-L85 HydrophobicContact CH2-CB 4.13Å; W74-L85 HydrophobicContact CZ2-CB 4.48Å; W74-L85 HydrophobicContact CZ3-CB 3.81Å; L85-R160 CarbonylContact O-C 3.54Å; L85-R160 VanDerWaalsContact O-CA 3.26Å; L85-R160 WeakPolarHBondContact O-CA 3.45Å; L85-I161 PolarHBondContact N-O 3.03Å; L85-I161 PolarHBondContact O-N 2.97Å; L85-L174 HydrophobicContact CD2-CB 4.27Å; L85-L174 HydrophobicContact CD2-CD1 4.43Å; L85-I176 HydrophobicContact CD2-CD1 3.87Å; L85-I176 HydrophobicContact CD2-CG1 4.13Å; L85-I176 HydrophobicContact CD2-CG2 4.23Å; L85-I176 HydrophobicContact CG-CD1 4.48Å
86	Q	97.4	Very high	95.1	Very high	19 Å²	19	38.4 Å²	38.4	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.7	-174.1	174.8	179.1	-45.6	0	0	111.7	F48 S49 W84 W124 V159 R160	F48-Q86 WeakPolarHBondContact CA-O 3.35Å; S49-Q86 PolarHBondContact N-O 3Å; S49-Q86 PolarHBondContact O-N 3.29Å; S49-Q86 WeakPolarHBondContact OG-CB 3.41Å; S49-Q86 PolarHBondContact OG-NE2 3.37Å; W84-Q86 HydrophobicContact CE3-CB 3.81Å; W84-Q86 HydrophobicContact CZ3-CB 3.67Å; Q86-W124 HydrophobicContact CG-CH2 4.02Å; Q86-V159 CarbonylContact C-O 3.53Å; Q86-V159 VanDerWaalsContact CA-O 3.31Å; Q86-V159 WeakPolarHBondContact CA-O 3.26Å; Q86-R160 HydrophobicContact CB-CB 4.47Å
87	V	98.4	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.3	175.3	-173.9	0	0	0	0	109.7	L43 A47 F48 F89 Y158 V159 I176	L43-V87 HydrophobicContact CD1-CG1 3.35Å; A47-V87 CarbonylContact O-C 3.46Å; A47-V87 WeakPolarHBondContact O-CA 3.28Å; F48-V87 HydrophobicContact CD1-CG2 3.83Å; F48-V87 HydrophobicContact CE1-CG2 3.81Å; V87-F89 HydrophobicContact CG1-CD1 4.12Å; V87-F89 HydrophobicContact CG1-CE1 3.77Å; V87-F89 HydrophobicContact CG1-CZ 4.22Å; V87-Y158 VanDerWaalsContact O-CA 3.31Å; V87-Y158 WeakPolarHBondContact O-CA 3.4Å; V87-V159 PolarHBondContact N-O 3.24Å; V87-V159 PolarHBondContact O-N 2.97Å; V87-V159 VanDerWaalsContact O-N 3.09Å; V87-I176 HydrophobicContact CG2-CD1 3.68Å
88	D	98.4	Very high	95.3	Very high	38 Å²	38	36.2 Å²	36.2	20%	0.203	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.2	167.8	-177.8	6.1	0	0	0	109.9	A47 G90 R157 Y158	A47-D88 WeakPolarHBondContact CB-O 3.45Å; A47-D88 PolarHBondContact O-N 3.46Å; D88-G90 PolarHBondContact O-N 3.22Å; D88-G90 WeakPolarHBondContact OD1-CA 3.46Å; D88-G90 PolarHBondContact OD1-N 2.83Å; D88-R157 WeakPolarHBondContact OD1-CG 3.28Å; D88-R157 IonicContact OD1-CZ 3.67Å; D88-R157 IonicContact OD1-NE 3.84Å; D88-R157 PolarHBondContact OD1-NE 3.39Å; D88-R157 IonicContact OD1-NH2 3.91Å; D88-R157 PolarHBondContact OD1-NH2 2.77Å; D88-R157 IonicContact OD2-CZ 3.78Å; D88-R157 IonicContact OD2-NE 3.26Å; D88-R157 IonicContact OD2-NH2 3.76Å; D88-R157 PolarHBondContact OD2-NH2 2.96Å; D88-Y158 HydrophobicContact CB-CD1 3.71Å; D88-Y158 HydrophobicContact CB-CE1 3.5Å
89	F	98	Very high	95.6	Very high	14 Å²	14	31.9 Å²	31.9	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-5.1	176.6	-59.8	-60.7	0	0	0	113.7	L39 V40 L43 V87 N91 K93 I95 R157 V159 V178	L39-F89 HydrophobicContact CB-CD1 4.06Å; L39-F89 HydrophobicContact CB-CE1 3.71Å; L39-F89 HydrophobicContact CB-CZ 4.47Å; L39-F89 HydrophobicContact CD1-CE1 4.43Å; V40-F89 HydrophobicContact CG2-CE1 4.18Å; L43-F89 HydrophobicContact CD1-CD1 3.89Å; L43-F89 HydrophobicContact CD1-CE1 4.17Å; V87-F89 HydrophobicContact CG1-CD1 4.12Å; V87-F89 HydrophobicContact CG1-CE1 3.77Å; V87-F89 HydrophobicContact CG1-CZ 4.22Å; F89-N91 PolarHBondContact O-N 3.18Å; F89-K93 HydrophobicContact CB-CG 3.68Å; F89-K93 HydrophobicContact CD2-CB 4.38Å; F89-K93 HydrophobicContact CD2-CG 3.93Å; F89-K93 HydrophobicContact CG-CG 3.8Å; F89-I95 HydrophobicContact CE2-CD1 3.99Å; F89-I95 HydrophobicContact CE2-CG1 4.43Å; F89-R157 WeakPolarHBondContact CD2-O 3.36Å; F89-R157 PolarHBondContact N-O 3.22Å; F89-V159 HydrophobicContact CE2-CB 4.22Å; F89-V159 HydrophobicContact CE2-CG2 3.73Å; F89-V159 HydrophobicContact CZ-CB 4.46Å; F89-V159 HydrophobicContact CZ-CG2 4.26Å; F89-V178 HydrophobicContact CE1-CB 4.43Å; F89-V178 HydrophobicContact CZ-CB 3.95Å; F89-V178 HydrophobicContact CZ-CG1 3.89Å; F89-V178 HydrophobicContact CZ-CG2 4.21Å
90	G	95.8	Very high	96	Very high	45 Å²	45	30.3 Å²	30.3	46%	0.464	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-37.1	-176.8	0	0	0	0	0	113.8	D88 R157	D88-G90 PolarHBondContact O-N 3.22Å; D88-G90 WeakPolarHBondContact OD1-CA 3.46Å; D88-G90 PolarHBondContact OD1-N 2.83Å; G90-R157 PolarHBondContact O-NE 3.35Å
91	N	94.7	Very high	96.3	Very high	72 Å²	72	28.5 Å²	28.5	39%	0.385	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164	172.5	71.2	-47.6	0	0	0	111.6	F89 K93	F89-N91 PolarHBondContact O-N 3.18Å; N91-K93 PolarHBondContact O-N 3.16Å; N91-K93 WeakPolarHBondContact OD1-CE 3.21Å; N91-K93 PolarHBondContact OD1-NZ 3.34Å
92	R	95.5	Very high	96.8	Very high	39 Å²	39	22.9 Å²	22.9	15%	0.147	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	135.6	178.7	-69.9	173.8	76	-153.9	-0.8	110.8	D119 I155 R157 Y183 W276 E338	R92-D119 IonicContact CZ-OD2 3.78Å; R92-D119 IonicContact NE-OD1 2.81Å; R92-D119 PolarHBondContact NE-OD1 3.13Å; R92-D119 IonicContact NE-OD2 3.92Å; R92-D119 PolarHBondContact NE-OD2 3.41Å; R92-D119 IonicContact NH2-OD2 3.67Å; R92-I155 HydrophobicContact CB-CG2 4.25Å; R92-R157 HydrophobicContact CG-CB 4.34Å; R92-Y183 HydrophobicContact CB-CD1 4.3Å; R92-Y183 PolarHBondContact O-N 3.4Å; R92-Y183 VanDerWaalsContact O-N 3.12Å; R92-W276 VanDerWaalsContact NH2-CD1 3.29Å; R92-E338 IonicContact CZ-OE1 3.83Å; R92-E338 IonicContact CZ-OE2 2.77Å; R92-E338 IonicContact NH1-OE1 3.85Å; R92-E338 PolarHBondContact NH1-OE1 2.77Å; R92-E338 IonicContact NH1-OE2 3.18Å; R92-E338 PolarHBondContact NH1-OE2 3.28Å; R92-E338 IonicContact NH2-OE1 3.68Å; R92-E338 PolarHBondContact NH2-OE1 3.35Å; R92-E338 IonicContact NH2-OE2 2.8Å
93	K	97.6	Very high	97.2	Very high	25 Å²	25	21.3 Å²	21.3	11%	0.109	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.6	176.6	-57.7	-59.7	-175.8	-173.3	0	108.9	L39 F89 N91 I95 I155 A156 C181 S182	L39-K93 HydrophobicContact CD1-CB 3.96Å; L39-K93 HydrophobicContact CD1-CG 4.09Å; L39-K93 HydrophobicContact CD2-CD 4.49Å; F89-K93 HydrophobicContact CB-CG 3.68Å; F89-K93 HydrophobicContact CD2-CB 4.38Å; F89-K93 HydrophobicContact CD2-CG 3.93Å; F89-K93 HydrophobicContact CG-CG 3.8Å; N91-K93 PolarHBondContact O-N 3.16Å; N91-K93 WeakPolarHBondContact OD1-CE 3.21Å; N91-K93 PolarHBondContact OD1-NZ 3.34Å; K93-I95 HydrophobicContact CB-CG1 4.27Å; K93-I155 VanDerWaalsContact O-CA 3.32Å; K93-I155 WeakPolarHBondContact O-CA 3.42Å; K93-A156 PolarHBondContact N-O 2.84Å; K93-A156 PolarHBondContact O-N 3Å; K93-C181 CarbonylContact C-O 3.51Å; K93-C181 WeakPolarHBondContact CA-O 3.23Å; K93-S182 PolarHBondContact NZ-OG 3Å
94	Q	97.3	Very high	97.3	Very high	65 Å²	65	24.3 Å²	24.3	30%	0.304	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.7	161.3	178.9	176	-25.2	0	0	107.1	P153 I154 G180 C181	Q94-P153 HydrophobicContact CG-CB 3.98Å; Q94-I154 CarbonylContact C-O 3.11Å; Q94-I154 WeakPolarHBondContact CA-O 3.39Å; Q94-G180 CarbonylContact O-C 3.59Å; Q94-G180 WeakPolarHBondContact O-CA 3.48Å; Q94-C181 PolarHBondContact N-O 3.29Å; Q94-C181 PolarHBondContact O-N 2.86Å
95	I	98	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.5	-175.5	-61.7	153.1	0	0	0	108.3	L39 F89 K93 M115 L150 P153 I154 A156 V159 V178 Y179	L39-I95 HydrophobicContact CD1-CG1 4.4Å; F89-I95 HydrophobicContact CE2-CD1 3.99Å; F89-I95 HydrophobicContact CE2-CG1 4.43Å; K93-I95 HydrophobicContact CB-CG1 4.27Å; I95-M115 HydrophobicContact CD1-CE 4.4Å; I95-M115 HydrophobicContact CG2-CE 4.01Å; I95-L150 HydrophobicContact CG2-CD1 3.95Å; I95-P153 CarbonylContact O-C 3.6Å; I95-P153 WeakPolarHBondContact O-CA 3.34Å; I95-P153 WeakPolarHBondContact O-CB 3.17Å; I95-I154 HydrophobicContact CB-CG1 3.87Å; I95-I154 HydrophobicContact CD1-CD1 4.12Å; I95-I154 HydrophobicContact CD1-CG1 4.09Å; I95-I154 HydrophobicContact CG2-CG1 4.44Å; I95-I154 PolarHBondContact N-O 3.29Å; I95-I154 PolarHBondContact O-N 3.09Å; I95-A156 HydrophobicContact CD1-CB 4.09Å; I95-V159 HydrophobicContact CD1-CG2 3.44Å; I95-V159 VanDerWaalsContact CD1-CG2 3.44Å; I95-V178 HydrophobicContact CB-CG1 4.33Å; I95-V178 HydrophobicContact CG1-CG1 4.05Å; I95-V178 HydrophobicContact CG2-CG1 3.4Å; I95-V178 VanDerWaalsContact CG2-CG1 3.4Å; I95-Y179 WeakPolarHBondContact CA-O 3.4Å
96	S	96.9	Very high	97	Very high	15 Å²	15	26.8 Å²	26.8	11%	0.105	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-25	-174.9	52.1	0	0	0	0	113.5	C35 L150 Y179	C35-S96 VanDerWaalsContact O-CB 3.29Å; C35-S96 WeakPolarHBondContact O-CB 3.48Å; C35-S96 PolarHBondContact O-OG 3.21Å; S96-L150 VanDerWaalsContact O-CB 3.3Å; S96-L150 WeakPolarHBondContact O-CB 3.24Å; S96-L150 WeakPolarHBondContact O-CG 3.31Å; S96-L150 PolarHBondContact O-N 3.33Å; S96-Y179 PolarHBondContact N-O 3.31Å; S96-Y179 PolarHBondContact OG-O 2.95Å
97	A	97.9	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	163.2	179.6	0	0	0	0	0	112.5	H148 E149 Y179	A97-H148 VanDerWaalsContact CA-O 3.31Å; A97-H148 WeakPolarHBondContact CA-O 3.13Å; A97-H148 WeakPolarHBondContact CB-O 3.46Å; A97-E149 WeakPolarHBondContact CB-OE2 3.29Å; A97-Y179 HydrophobicContact CB-CD2 4.13Å; A97-Y179 HydrophobicContact CB-CG 4.49Å; A97-Y179 PolarHBondContact N-O 3Å; A97-Y179 PolarHBondContact O-N 2.63Å
98	I	97.9	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.4	174.5	-175.9	163.3	0	0	0	110.4	Y113 M115 F136 R147 H148 L150 I161	I98-Y113 HydrophobicContact CD1-CE2 4Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.36Å; I98-M115 HydrophobicContact CD1-SD 4.45Å; I98-F136 HydrophobicContact CG2-CE1 4.49Å; I98-R147 CarbonylContact O-C 3.49Å; I98-R147 WeakPolarHBondContact O-CA 3.46Å; I98-H148 HydrophobicContact CG2-CB 4.29Å; I98-H148 PolarHBondContact N-O 3.26Å; I98-H148 PolarHBondContact O-N 2.88Å; I98-L150 HydrophobicContact CG2-CD2 4.45Å; I98-I161 HydrophobicContact CD1-CD1 3.18Å; I98-I161 HydrophobicContact CD1-CG1 4.22Å
99	A	98.5	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.6	170.4	0	0	0	0	0	112.1	I65 V145 V146 R147 I176 E177 Y179	I65-A99 HydrophobicContact CD1-CB 3.7Å; A99-V145 HydrophobicContact CB-CG1 3.91Å; A99-V146 CarbonylContact C-O 3.4Å; A99-V146 WeakPolarHBondContact CA-O 3.39Å; A99-R147 HydrophobicContact CB-CB 3.97Å; A99-R147 HydrophobicContact CB-CG 4.3Å; A99-I176 CarbonylContact O-C 3.58Å; A99-I176 VanDerWaalsContact O-CA 3.29Å; A99-I176 WeakPolarHBondContact O-CA 3.26Å; A99-E177 HydrophobicContact CB-CB 4.48Å; A99-E177 PolarHBondContact N-O 2.06Å; A99-E177 PolarHBondContact O-N 2.84Å; A99-Y179 HydrophobicContact CB-CE2 3.85Å
100	T	98.4	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.1	176.8	63.3	0	0	0	0	111.5	Y113 N139 V146 R175 I176	T100-Y113 HydrophobicContact CG2-CD1 4.09Å; T100-Y113 HydrophobicContact CG2-CE1 3.44Å; T100-Y113 VanDerWaalsContact CG2-CE1 3.44Å; T100-Y113 HydrophobicContact CG2-CE2 4.15Å; T100-Y113 VanDerWaalsContact CG2-CZ 3.48Å; T100-N139 VanDerWaalsContact C-OD1 3.29Å; T100-N139 WeakPolarHBondContact CB-OD1 3.49Å; T100-N139 PolarHBondContact O-ND2 3.48Å; T100-N139 PolarHBondContact O-OD1 2.98Å; T100-N139 PolarHBondContact OG1-OD1 2.99Å; T100-V146 PolarHBondContact N-O 3.22Å; T100-V146 PolarHBondContact O-N 2.73Å; T100-R175 CarbonylContact C-O 3.58Å; T100-R175 WeakPolarHBondContact CA-O 3.43Å; T100-I176 HydrophobicContact CG2-CG2 4.24Å
101	Q	98	Very high	97	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.023	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	144.7	176.3	-171.8	-178.2	39.1	0	0	108.1	I65 N66 N139 S142 D143 V145 L174 R175	I65-Q101 HydrophobicContact CD1-CB 4.37Å; I65-Q101 HydrophobicContact CG1-CB 3.9Å; N66-Q101 PolarHBondContact OD1-NE2 3.43Å; Q101-N139 WeakPolarHBondContact CA-ND2 3.1Å; Q101-N139 PolarHBondContact N-OD1 2.83Å; Q101-S142 WeakPolarHBondContact CG-O 3.16Å; Q101-D143 PolarHBondContact NE2-O 2.8Å; Q101-V145 HydrophobicContact CB-CG2 4.38Å; Q101-V145 HydrophobicContact CG-CG2 4.33Å; Q101-L174 CarbonylContact O-C 3.49Å; Q101-R175 HydrophobicContact CB-CB 4.18Å; Q101-R175 VanDerWaalsContact CG-NH2 3.33Å; Q101-R175 PolarHBondContact N-O 2.96Å; Q101-R175 PolarHBondContact O-N 2.81Å
102	G	97.9	Very high	97.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-69.4	172.8	175.1	0	0	0	0	0	113.1	Y104 S142 R175	G102-Y104 PolarHBondContact O-N 3.33Å; G102-S142 CarbonylContact C-O 3.59Å; G102-S142 VanDerWaalsContact O-O 3.13Å; G102-R175 VanDerWaalsContact O-CZ 3.25Å; G102-R175 PolarHBondContact O-NE 2.99Å; G102-R175 PolarHBondContact O-NH2 3.39Å
103	R	96.3	Very high	97.1	Very high	37 Å²	37	26.5 Å²	26.5	14%	0.14	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-67.4	132.7	176.4	-171.8	177.7	71.2	83.9	-5.3	109.7	A71 S105 S106 D108 S142	A71-R103 WeakPolarHBondContact O-CD 3.19Å; A71-R103 WeakPolarHBondContact O-CG 3.43Å; A71-R103 PolarHBondContact O-NH1 3.04Å; R103-S105 PolarHBondContact O-N 3.36Å; R103-S106 VanDerWaalsContact CZ-CB 3.44Å; R103-S106 PolarHBondContact NE-OG 3.17Å; R103-S106 PolarHBondContact NH2-OG 3.23Å; R103-S106 PolarHBondContact O-N 3.42Å; R103-S106 PolarHBondContact O-OG 2.87Å; R103-D108 HydrophobicContact CB-CB 4.16Å; R103-D108 IonicContact CZ-OD2 3.84Å; R103-D108 PolarHBondContact N-O 3.05Å; R103-D108 IonicContact NE-OD2 3.49Å; R103-D108 PolarHBondContact NE-OD2 2.83Å; R103-D108 IonicContact NH2-OD2 3.82Å; R103-D108 PolarHBondContact NH2-OD2 3.49Å; R103-S142 WeakPolarHBondContact O-CB 3.18Å
104	Y	96.5	Very high	97.1	Very high	74 Å²	74	28.5 Å²	28.5	29%	0.29	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	132	-173.6	177.2	-102.8	0	0	0	112.7	R68 G72 G102 S106	R68-Y104 HydrophobicContact CB-CD1 4.37Å; R68-Y104 HydrophobicContact CG-CD1 4.13Å; R68-Y104 HydrophobicContact CG-CD2 4.03Å; R68-Y104 HydrophobicContact CG-CE1 4.29Å; R68-Y104 HydrophobicContact CG-CE2 4.17Å; R68-Y104 HydrophobicContact CG-CG 3.99Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.15Å; G72-Y104 PolarHBondContact O-N 2.7Å; G102-Y104 PolarHBondContact O-N 3.33Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 2.91Å
105	S	93.5	Very high	97.1	Very high	93 Å²	93	25.4 Å²	25.4	65%	0.65	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	39.6	174.4	-172.2	0	0	0	0	114	R103	R103-S105 PolarHBondContact O-N 3.36Å
106	S	94.3	Very high	97	Very high	21 Å²	21	26.2 Å²	26.2	15%	0.147	14%	0.138	C	C	.	.	S	Bend	trans	-139.1	178.4	174	80.1	0	0	0	0	113.3	R103 Y104 D108 S142	R103-S106 VanDerWaalsContact CZ-CB 3.44Å; R103-S106 PolarHBondContact NE-OG 3.17Å; R103-S106 PolarHBondContact NH2-OG 3.23Å; R103-S106 PolarHBondContact O-N 3.42Å; R103-S106 PolarHBondContact O-OG 2.87Å; Y104-S106 VanDerWaalsContact C-N 3.31Å; Y104-S106 PolarHBondContact O-N 2.91Å; S106-D108 VanDerWaalsContact C-N 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.45Å; S106-D108 PolarHBondContact OG-N 3.26Å; S106-D108 PolarHBondContact OG-OD2 3.4Å; S106-S142 VanDerWaalsContact O-CB 3.25Å; S106-S142 WeakPolarHBondContact O-CB 3.39Å; S106-S142 PolarHBondContact O-OG 2.71Å
107	S	96.1	Very high	97.1	Very high	48 Å²	48	27.1 Å²	27.1	34%	0.336	14%	0.139	S	C	.	.	S	Bend	trans	-86.2	6.9	169.1	54.1	0	0	0	0	113.6	W109 N167 E169	S107-W109 VanDerWaalsContact C-CE3 3.41Å; S107-W109 VanDerWaalsContact CA-CZ3 3.42Å; S107-N167 WeakPolarHBondContact O-CB 3.42Å; S107-N167 PolarHBondContact O-ND2 2.79Å; S107-E169 PolarHBondContact OG-O 3.08Å
108	D	97.2	Very high	97	Very high	13 Å²	13	27.2 Å²	27.2	7%	0.07	14%	0.14	C	C	.	.			trans	-96.2	104.7	-171.8	-46.2	-49.3	0	0	0	111	R103 S106 R171	R103-D108 HydrophobicContact CB-CB 4.16Å; R103-D108 IonicContact CZ-OD2 3.84Å; R103-D108 PolarHBondContact N-O 3.05Å; R103-D108 IonicContact NE-OD2 3.49Å; R103-D108 PolarHBondContact NE-OD2 2.83Å; R103-D108 IonicContact NH2-OD2 3.82Å; R103-D108 PolarHBondContact NH2-OD2 3.49Å; S106-D108 VanDerWaalsContact C-N 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.45Å; S106-D108 PolarHBondContact OG-N 3.26Å; S106-D108 PolarHBondContact OG-OD2 3.4Å; D108-R171 CarbonylContact C-O 3.59Å; D108-R171 VanDerWaalsContact CA-O 3.25Å; D108-R171 WeakPolarHBondContact CA-O 3.38Å; D108-R171 WeakPolarHBondContact CB-O 3.44Å; D108-R171 WeakPolarHBondContact OD1-CB 3.46Å; D108-R171 PolarHBondContact OD1-N 3.36Å
109	W	98	Very high	96.8	Very high	38 Å²	38	28.9 Å²	28.9	14%	0.144	15%	0.149	C	C	.	.			trans	-150.9	151.7	173.8	62.1	82	0	0	0	111.4	S107 N139 I140 W166 N167 R171 G173	S107-W109 VanDerWaalsContact C-CE3 3.41Å; S107-W109 VanDerWaalsContact CA-CZ3 3.42Å; W109-N139 HydrophobicContact CB-CB 4.26Å; W109-I140 WeakPolarHBondContact CZ2-O 3.4Å; W109-W166 WeakPolarHBondContact O-CA 3.2Å; W109-W166 VanDerWaalsContact O-CB 3.24Å; W109-W166 WeakPolarHBondContact O-CB 3.46Å; W109-N167 HydrophobicContact CD2-CB 3.96Å; W109-N167 VanDerWaalsContact CE2-CB 3.49Å; W109-N167 HydrophobicContact CG-CB 4.32Å; W109-N167 HydrophobicContact CH2-CB 4.42Å; W109-N167 WeakPolarHBondContact CH2-ND2 3.43Å; W109-N167 HydrophobicContact CZ2-CB 3.73Å; W109-N167 WeakPolarHBondContact CZ2-ND2 3.2Å; W109-N167 PolarHBondContact O-N 3.15Å; W109-R171 PolarHBondContact N-O 2.9Å; W109-G173 WeakPolarHBondContact CA-O 3.21Å
110	V	98.4	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.4	177.8	174	0	0	0	0	109	Q112 Y113 G138 N139 P163 D165 I172 L174	V110-Q112 WeakPolarHBondContact CG1-O 3.02Å; V110-Y113 HydrophobicContact CG1-CD1 4.44Å; V110-G138 CarbonylContact O-C 3.47Å; V110-G138 WeakPolarHBondContact O-CA 3.44Å; V110-N139 PolarHBondContact O-N 3.29Å; V110-P163 HydrophobicContact CG1-CB 4.04Å; V110-P163 HydrophobicContact CG2-CB 3.92Å; V110-P163 HydrophobicContact CG2-CG 4.07Å; V110-D165 CarbonylContact C-O 3.51Å; V110-D165 WeakPolarHBondContact CA-O 3.31Å; V110-D165 WeakPolarHBondContact CG1-O 3.49Å; V110-I172 HydrophobicContact CG2-CG2 3.97Å; V110-L174 HydrophobicContact CB-CD2 3.68Å; V110-L174 HydrophobicContact CB-CG 4.38Å; V110-L174 HydrophobicContact CG1-CD2 4.45Å; V110-L174 HydrophobicContact CG2-CD1 4.15Å; V110-L174 HydrophobicContact CG2-CD2 3.51Å; V110-L174 HydrophobicContact CG2-CG 3.65Å
111	T	97.4	Very high	96.2	Very high	51 Å²	51	32.1 Å²	32.1	31%	0.313	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-19.8	-178.8	51.6	0	0	0	0	112.3	G138 N139 D165 W166	T111-G138 WeakPolarHBondContact O-CA 3.29Å; T111-G138 PolarHBondContact O-N 2.8Å; T111-N139 WeakPolarHBondContact CG2-O 3.36Å; T111-D165 PolarHBondContact N-O 3.2Å; T111-D165 VanDerWaalsContact OG1-CB 3.31Å; T111-D165 WeakPolarHBondContact OG1-CB 3.08Å; T111-D165 PolarHBondContact OG1-O 3.3Å; T111-W166 PolarHBondContact OG1-N 3.48Å
112	Q	96.6	Very high	95.8	Very high	71 Å²	71	37.5 Å²	37.5	33%	0.332	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.3	172.8	-160.8	175.8	11.6	0	0	110.6	V110 A135 F136 L164 D165	V110-Q112 WeakPolarHBondContact CG1-O 3.02Å; Q112-A135 HydrophobicContact CG-CB 4.07Å; Q112-A135 VanDerWaalsContact NE2-CB 3.26Å; Q112-F136 WeakPolarHBondContact CA-O 3.11Å; Q112-F136 WeakPolarHBondContact CG-O 3.3Å; Q112-L164 HydrophobicContact CB-CB 4.28Å; Q112-L164 HydrophobicContact CG-CB 4.5Å; Q112-L164 HydrophobicContact CG-CD1 4.2Å; Q112-L164 PolarHBondContact O-N 3.16Å; Q112-D165 HydrophobicContact CB-CB 4.1Å; Q112-D165 PolarHBondContact N-O 3.21Å; Q112-D165 PolarHBondContact O-N 2.78Å; Q112-D165 VanDerWaalsContact O-N 3.17Å; Q112-D165 PolarHBondContact OE1-OD2 2.68Å
113	Y	97.4	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.8	-179.2	66.9	-86.9	0	0	0	113.2	I98 T100 V110 A135 F136 I161 V162	I98-Y113 HydrophobicContact CD1-CE2 4Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.36Å; T100-Y113 HydrophobicContact CG2-CD1 4.09Å; T100-Y113 HydrophobicContact CG2-CE1 3.44Å; T100-Y113 VanDerWaalsContact CG2-CE1 3.44Å; T100-Y113 HydrophobicContact CG2-CE2 4.15Å; T100-Y113 VanDerWaalsContact CG2-CZ 3.48Å; V110-Y113 HydrophobicContact CG1-CD1 4.44Å; Y113-A135 CarbonylContact O-C 3.56Å; Y113-A135 WeakPolarHBondContact O-CA 3.48Å; Y113-F136 HydrophobicContact CD1-CB 4.07Å; Y113-F136 HydrophobicContact CD2-CB 4.14Å; Y113-F136 HydrophobicContact CD2-CD2 4.22Å; Y113-F136 HydrophobicContact CE1-CB 3.59Å; Y113-F136 HydrophobicContact CE2-CB 3.66Å; Y113-F136 AromaticContact CE2-CD2 3.74Å; Y113-F136 HydrophobicContact CE2-CD2 3.74Å; Y113-F136 AromaticContact CE2-CG 3.86Å; Y113-F136 HydrophobicContact CE2-CG 3.86Å; Y113-F136 HydrophobicContact CG-CB 4.32Å; Y113-F136 AromaticContact CZ-CG 3.87Å; Y113-F136 PolarHBondContact N-O 3.44Å; Y113-F136 PolarHBondContact O-N 2.87Å; Y113-I161 HydrophobicContact CD2-CG2 3.75Å; Y113-I161 HydrophobicContact CE2-CG2 4.48Å; Y113-I161 HydrophobicContact CG-CG2 4.08Å; Y113-V162 CarbonylContact C-O 3.51Å; Y113-V162 VanDerWaalsContact CA-O 3.29Å; Y113-V162 WeakPolarHBondContact CA-O 3.45Å; Y113-V162 WeakPolarHBondContact CB-O 3.48Å
114	R	95.9	Very high	95.5	Very high	67 Å²	67	37.1 Å²	37.1	25%	0.253	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.9	169.1	-65.1	-175.5	170.5	169.2	-4.3	111.1	W134 V162 L164 E911	R114-W134 WeakPolarHBondContact CG-O 3.44Å; R114-V162 HydrophobicContact CB-CB 4.47Å; R114-V162 PolarHBondContact N-O 2.02Å; R114-V162 PolarHBondContact O-N 2.85Å; R114-L164 HydrophobicContact CG-CD1 3.69Å; R114-L164 HydrophobicContact CG-CD2 4.1Å; R114-L164 HydrophobicContact CG-CG 4.01Å; R114-E911 IonicContact NH2-OE2 2.78Å
115	M	97	Very high	95.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	172.6	-175.9	-175.5	175.7	0	0	109.1	I95 I98 Y127 F136 L150 I154 V159 R160 I161	I95-M115 HydrophobicContact CD1-CE 4.4Å; I95-M115 HydrophobicContact CG2-CE 4.01Å; I98-M115 HydrophobicContact CD1-SD 4.45Å; M115-Y127 PolarHBondContact O-N 3.32Å; M115-F136 HydrophobicContact CB-CD2 4.47Å; M115-F136 HydrophobicContact CB-CE2 3.89Å; M115-L150 HydrophobicContact SD-CD1 4.4Å; M115-L150 HydrophobicContact SD-CD2 4.32Å; M115-I154 HydrophobicContact CE-CD1 3.55Å; M115-I154 HydrophobicContact CE-CG1 4.49Å; M115-V159 HydrophobicContact CE-CB 4.33Å; M115-V159 HydrophobicContact CE-CG1 3.7Å; M115-V159 HydrophobicContact CE-CG2 3.59Å; M115-V159 HydrophobicContact CG-CG1 4.08Å; M115-R160 WeakPolarHBondContact CA-O 3.44Å; M115-I161 HydrophobicContact CG-CD1 4.35Å
116	L	97.8	Very high	95.6	Very high	16 Å²	16	31 Å²	31	8%	0.084	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.6	169	-45.6	-179.1	0	0	0	109.4	W124 K125 P126 V159 R160 V162 M551	L116-W124 HydrophobicContact CB-CB 4.33Å; L116-W124 HydrophobicContact CB-CE3 3.85Å; L116-W124 HydrophobicContact CD1-CB 4.19Å; L116-K125 CarbonylContact C-O 3.55Å; L116-K125 VanDerWaalsContact CA-O 3.29Å; L116-K125 WeakPolarHBondContact CA-O 3.36Å; L116-P126 HydrophobicContact CD2-CB 3.68Å; L116-V159 CarbonylContact O-C 3.51Å; L116-V159 WeakPolarHBondContact O-CA 3.43Å; L116-R160 HydrophobicContact CB-CB 4.24Å; L116-R160 PolarHBondContact N-O 3.07Å; L116-R160 PolarHBondContact O-N 3.42Å; L116-V162 HydrophobicContact CD1-CG2 3.81Å; L116-V162 HydrophobicContact CG-CG2 3.99Å; L116-M551 HydrophobicContact CD1-SD 4.2Å; L116-M551 HydrophobicContact CD2-SD 4.11Å
117	Y	97.6	Very high	95.6	Very high	34 Å²	34	30 Å²	30	13%	0.133	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.2	178.4	64.9	-86.8	0	0	0	112	K125 I154 A156 Y158	Y117-K125 HydrophobicContact CD1-CB 4.5Å; Y117-K125 WeakPolarHBondContact CD1-O 3.49Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE1-CG 3.95Å; Y117-K125 HydrophobicContact CE2-CB 4.09Å; Y117-K125 HydrophobicContact CE2-CD 4.26Å; Y117-K125 HydrophobicContact CE2-CG 4.29Å; Y117-K125 PolarHBondContact N-O 3.24Å; Y117-K125 PolarHBondContact O-N 2.84Å; Y117-K125 VanDerWaalsContact OH-CD 3.3Å; Y117-K125 WeakPolarHBondContact OH-CD 3.37Å; Y117-K125 WeakPolarHBondContact OH-CE 2.93Å; Y117-K125 WeakPolarHBondContact OH-CG 3.05Å; Y117-I154 HydrophobicContact CD1-CD1 3.57Å; Y117-I154 HydrophobicContact CD2-CD1 4.14Å; Y117-I154 HydrophobicContact CE1-CD1 4.19Å; Y117-I154 HydrophobicContact CE1-CG2 4.26Å; Y117-I154 HydrophobicContact CG-CD1 3.54Å; Y117-A156 HydrophobicContact CD2-CB 3.99Å; Y117-A156 HydrophobicContact CG-CB 4.29Å; Y117-Y158 VanDerWaalsContact CA-O 3.3Å; Y117-Y158 WeakPolarHBondContact CA-O 3.35Å
118	S	96.1	Very high	95.3	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	154.6	178.8	171.8	0	0	0	0	110.7	T120 G121 R122 R157 Y158	S118-T120 PolarHBondContact OG-N 2.86Å; S118-G121 PolarHBondContact OG-N 3.14Å; S118-R122 WeakPolarHBondContact CB-O 3.34Å; S118-R122 PolarHBondContact OG-N 3.1Å; S118-R122 PolarHBondContact OG-O 2.82Å; S118-R157 PolarHBondContact O-N 2.04Å; S118-Y158 PolarHBondContact N-O 2.8Å; S118-Y158 VanDerWaalsContact N-O 3.07Å; S118-Y158 PolarHBondContact O-N 3.41Å
119	D	93.6	Very high	94.8	Very high	35 Å²	35	30.7 Å²	30.7	19%	0.187	15%	0.146	C	C	.	.	S	Bend	trans	-87	-25.6	169.8	-85.9	-7.8	0	0	0	112.8	R92 A156 Y158 W276	R92-D119 IonicContact CZ-OD2 3.78Å; R92-D119 IonicContact NE-OD1 2.81Å; R92-D119 PolarHBondContact NE-OD1 3.13Å; R92-D119 IonicContact NE-OD2 3.92Å; R92-D119 PolarHBondContact NE-OD2 3.41Å; R92-D119 IonicContact NH2-OD2 3.67Å; D119-A156 WeakPolarHBondContact OD1-CA 3.41Å; D119-Y158 WeakPolarHBondContact O-CE2 3.47Å; D119-W276 PolarHBondContact OD2-NE1 2.84Å
120	T	91.8	Very high	93.9	Very high	51 Å²	51	29.7 Å²	29.7	31%	0.313	14%	0.144	S	C	.	.	S	Bend	trans	-110.9	-11.3	-172.2	60.5	0	0	0	0	113.4	S118 R122 E370	S118-T120 PolarHBondContact OG-N 2.86Å; T120-R122 PolarHBondContact OG1-N 2.92Å; T120-R122 PolarHBondContact OG1-O 3.36Å; T120-E370 VanDerWaalsContact CG2-CD 3.42Å; T120-E370 HydrophobicContact CG2-CG 4.15Å; T120-E370 WeakPolarHBondContact CG2-OE1 3.39Å; T120-E370 WeakPolarHBondContact CG2-OE2 3.3Å; T120-E370 PolarHBondContact OG1-OE1 3.29Å; T120-E370 VanDerWaalsContact OG1-OE1 3.09Å
121	G	91.9	Very high	93.1	Very high	17 Å²	17	32.2 Å²	32.2	18%	0.175	17%	0.17	C	C	.	.	S	Bend	trans	78.4	9.9	-170.5	0	0	0	0	0	112.6	S118 W124 Y158	S118-G121 PolarHBondContact OG-N 3.14Å; G121-W124 WeakPolarHBondContact O-CZ2 3.08Å; G121-W124 PolarHBondContact O-NE1 3.4Å; G121-Y158 VanDerWaalsContact N-CE2 3.31Å
122	R	91.4	Very high	92.5	Very high	118 Å²	118	30.3 Å²	30.3	45%	0.445	16%	0.158	S	C	.	.	S	Bend	trans	-129.9	171.8	175.1	-60.1	-178	179.7	-146.2	-1.8	110.1	S118 T120 W124 Y534 D550	S118-R122 WeakPolarHBondContact CB-O 3.34Å; S118-R122 PolarHBondContact OG-N 3.1Å; S118-R122 PolarHBondContact OG-O 2.82Å; T120-R122 PolarHBondContact OG1-N 2.92Å; T120-R122 PolarHBondContact OG1-O 3.36Å; R122-W124 PolarHBondContact O-N 3.38Å; R122-Y534 PolarHBondContact NH1-OH 3.12Å; R122-D550 WeakPolarHBondContact CA-OD2 3.17Å; R122-D550 WeakPolarHBondContact CB-OD2 3.33Å
123	N	92.4	Very high	92.1	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.128	15%	0.145	C	C	.	.	S	Bend	trans	45.1	66.4	-178.8	-173	34.4	0	0	0	111.4	D273 H275 D550	N123-D273 PolarHBondContact ND2-O 3.46Å; N123-H275 PolarHBondContact ND2-CE1 2.77Å; N123-H275 VanDerWaalsContact ND2-CE1 3.27Å; N123-H275 PolarHBondContact O-CE1 3.4Å; N123-H275 PolarHBondContact O-NE2 3.5Å; N123-D550 CarbonylContact C-O 3.48Å; N123-D550 WeakPolarHBondContact CA-O 3.23Å; N123-D550 VanDerWaalsContact N-CG 3.28Å; N123-D550 PolarHBondContact N-OD1 2.71Å; N123-D550 PolarHBondContact N-OD2 3.26Å
124	W	95.2	Very high	91.8	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.019	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-70.1	138.9	-171.7	-68.3	88.3	0	0	0	111.7	Q86 L116 G121 R122 R160 D550 M551	Q86-W124 HydrophobicContact CG-CH2 4.02Å; L116-W124 HydrophobicContact CB-CB 4.33Å; L116-W124 HydrophobicContact CB-CE3 3.85Å; L116-W124 HydrophobicContact CD1-CB 4.19Å; G121-W124 WeakPolarHBondContact O-CZ2 3.08Å; G121-W124 PolarHBondContact O-NE1 3.4Å; R122-W124 PolarHBondContact O-N 3.38Å; W124-R160 VanDerWaalsContact CE2-CZ 3.41Å; W124-R160 HydrophobicContact CE3-CB 4.07Å; W124-R160 HydrophobicContact CH2-CB 3.92Å; W124-R160 VanDerWaalsContact CZ2-NH2 3.29Å; W124-R160 HydrophobicContact CZ3-CB 3.62Å; W124-D550 PolarHBondContact N-O 2.85Å; W124-M551 HydrophobicContact CB-CB 4.44Å; W124-M551 VanDerWaalsContact O-CG 3.31Å; W124-M551 WeakPolarHBondContact O-CG 3.35Å
125	K	95.1	Very high	91.7	Very high	33 Å²	33	26.6 Å²	26.6	14%	0.143	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.4	171.4	-172.4	156.6	-179.7	164.6	0	110.9	L116 Y117 D273 H275	L116-K125 CarbonylContact C-O 3.55Å; L116-K125 VanDerWaalsContact CA-O 3.29Å; L116-K125 WeakPolarHBondContact CA-O 3.36Å; Y117-K125 HydrophobicContact CD1-CB 4.5Å; Y117-K125 WeakPolarHBondContact CD1-O 3.49Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE1-CG 3.95Å; Y117-K125 HydrophobicContact CE2-CB 4.09Å; Y117-K125 HydrophobicContact CE2-CD 4.26Å; Y117-K125 HydrophobicContact CE2-CG 4.29Å; Y117-K125 PolarHBondContact N-O 3.24Å; Y117-K125 PolarHBondContact O-N 2.84Å; Y117-K125 VanDerWaalsContact OH-CD 3.3Å; Y117-K125 WeakPolarHBondContact OH-CD 3.37Å; Y117-K125 WeakPolarHBondContact OH-CE 2.93Å; Y117-K125 WeakPolarHBondContact OH-CG 3.05Å; K125-D273 IonicContact NZ-OD2 3.05Å; K125-D273 PolarHBondContact NZ-OD2 3.16Å; K125-H275 WeakPolarHBondContact CB-NE2 3.3Å; K125-H275 HydrophobicContact CD-CB 3.93Å; K125-H275 VanDerWaalsContact CD-CG 3.49Å
126	P	95.5	Very high	91.5	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.9	171.3	27	-30.2	0	0	0	111.5	L116 H128 I133 A553	L116-P126 HydrophobicContact CD2-CB 3.68Å; P126-H128 PolarHBondContact O-CD2 3.13Å; P126-H128 PolarHBondContact O-N 2.92Å; P126-I133 HydrophobicContact CB-CG1 4.26Å; P126-I133 HydrophobicContact CB-CG2 3.88Å; P126-I133 HydrophobicContact CG-CD1 4.37Å; P126-I133 HydrophobicContact CG-CG1 4.01Å; P126-A553 HydrophobicContact CG-CB 3.86Å
127	Y	95.2	Very high	91.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	17%	0.165	C	C	.	.			trans	-70.6	128.2	169	-178.6	-98.2	0	0	0	110.2	M115 Q129 W134 F136 L150 Q151 H152 I154	M115-Y127 PolarHBondContact O-N 3.32Å; Y127-Q129 HydrophobicContact CE1-CB 3.89Å; Y127-W134 HydrophobicContact CD1-CB 3.91Å; Y127-W134 HydrophobicContact CE1-CB 4.4Å; Y127-W134 PolarHBondContact O-N 3.49Å; Y127-F136 AromaticContact CD1-CE2 3.95Å; Y127-F136 HydrophobicContact CD1-CE2 3.95Å; Y127-F136 AromaticContact CD1-CZ 3.57Å; Y127-F136 HydrophobicContact CD1-CZ 3.57Å; Y127-F136 AromaticContact CE1-CZ 3.81Å; Y127-F136 HydrophobicContact CE1-CZ 3.81Å; Y127-F136 HydrophobicContact CG-CZ 4.37Å; Y127-L150 HydrophobicContact CD1-CD2 4.45Å; Y127-L150 HydrophobicContact CD2-CD1 4.46Å; Y127-L150 HydrophobicContact CD2-CD2 4.38Å; Y127-L150 HydrophobicContact CE1-CD2 4.07Å; Y127-L150 HydrophobicContact CE2-CB 4.08Å; Y127-L150 HydrophobicContact CE2-CD1 4.08Å; Y127-L150 HydrophobicContact CE2-CD2 4Å; Y127-L150 HydrophobicContact CE2-CG 4.28Å; Y127-Q151 PolarHBondContact OH-N 2.94Å; Y127-Q151 VanDerWaalsContact OH-N 3.16Å; Y127-H152 PolarHBondContact OH-N 3.07Å; Y127-I154 HydrophobicContact CD2-CG2 3.82Å; Y127-I154 HydrophobicContact CE2-CG2 3.97Å
128	H	90.5	Very high	91.1	Very high	51 Å²	51	28.1 Å²	28.1	24%	0.236	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.4	177.4	-67.5	-93	0	0	0	111.4	P126 N132	P126-H128 PolarHBondContact O-CD2 3.13Å; P126-H128 PolarHBondContact O-N 2.92Å; H128-N132 WeakPolarHBondContact CA-O 3.39Å
129	Q	86.8	Confident	91.2	Very high	23 Å²	23	28 Å²	28	11%	0.107	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.8	172.5	167	164.8	-17	0	0	108.8	Y127 G131 N132 W134 Q151	Y127-Q129 HydrophobicContact CE1-CB 3.89Å; Q129-G131 PolarHBondContact O-N 3.21Å; Q129-G131 VanDerWaalsContact O-N 3.1Å; Q129-N132 PolarHBondContact N-O 3.18Å; Q129-N132 PolarHBondContact O-N 3Å; Q129-W134 HydrophobicContact CB-CB 4Å; Q129-W134 HydrophobicContact CB-CD2 3.63Å; Q129-W134 HydrophobicContact CB-CE3 3.57Å; Q129-W134 HydrophobicContact CB-CG 3.82Å; Q129-W134 HydrophobicContact CB-CZ3 4.29Å; Q129-W134 HydrophobicContact CG-CD2 3.8Å; Q129-W134 HydrophobicContact CG-CE3 3.65Å; Q129-W134 HydrophobicContact CG-CG 4.41Å; Q129-W134 HydrophobicContact CG-CH2 4.26Å; Q129-W134 HydrophobicContact CG-CZ2 4.37Å; Q129-W134 HydrophobicContact CG-CZ3 3.89Å; Q129-Q151 HydrophobicContact CG-CB 4.48Å
130	D	79	Confident	91.4	Very high	18 Å²	18	33.2 Å²	33.2	10%	0.096	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.8	-176.5	-60.7	-26.2	0	0	0	113.7	N132 Q151 H913 R915	D130-N132 VanDerWaalsContact C-N 3.29Å; D130-N132 PolarHBondContact O-N 3.03Å; D130-N132 PolarHBondContact O-ND2 3.44Å; D130-Q151 PolarHBondContact OD1-NE2 3.17Å; D130-H913 IonicContact OD2-ND1 2.75Å; D130-H913 PolarHBondContact OD2-ND1 2.84Å; D130-R915 IonicContact OD1-NE 3.63Å; D130-R915 PolarHBondContact OD1-NE 2.88Å
131	G	80.2	Confident	91.5	Very high	52 Å²	52	34 Å²	34	54%	0.536	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-1.8	179.4	0	0	0	0	0	115.4	Q129	Q129-G131 PolarHBondContact O-N 3.21Å; Q129-G131 VanDerWaalsContact O-N 3.1Å
132	N	84.6	Confident	91.6	Very high	11 Å²	11	33.8 Å²	33.8	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.4	-174	-64.7	-51.5	0	0	0	112.3	H128 Q129 D130 W134 R557	H128-N132 WeakPolarHBondContact CA-O 3.39Å; Q129-N132 PolarHBondContact N-O 3.18Å; Q129-N132 PolarHBondContact O-N 3Å; D130-N132 VanDerWaalsContact C-N 3.29Å; D130-N132 PolarHBondContact O-N 3.03Å; D130-N132 PolarHBondContact O-ND2 3.44Å; N132-W134 PolarHBondContact O-N 3.47Å; N132-R557 PolarHBondContact OD1-NH1 2.83Å
133	I	89.2	Confident	91.8	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.077	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	111.5	169.2	-67.4	162.4	0	0	0	107.6	P126 A553 I555	P126-I133 HydrophobicContact CB-CG1 4.26Å; P126-I133 HydrophobicContact CB-CG2 3.88Å; P126-I133 HydrophobicContact CG-CD1 4.37Å; P126-I133 HydrophobicContact CG-CG1 4.01Å; I133-A553 HydrophobicContact CD1-CB 3.7Å; I133-I555 HydrophobicContact CD1-CD1 4.16Å; I133-I555 HydrophobicContact CG1-CD1 3.99Å
134	W	91.7	Very high	92	Very high	24 Å²	24	33 Å²	33	9%	0.091	20%	0.198	C	C	.	.			trans	-79.1	136.5	-167.3	-160.3	-109.4	0	0	0	112.6	R114 Y127 Q129 N132 F136 H913	R114-W134 WeakPolarHBondContact CG-O 3.44Å; Y127-W134 HydrophobicContact CD1-CB 3.91Å; Y127-W134 HydrophobicContact CE1-CB 4.4Å; Y127-W134 PolarHBondContact O-N 3.49Å; Q129-W134 HydrophobicContact CB-CB 4Å; Q129-W134 HydrophobicContact CB-CD2 3.63Å; Q129-W134 HydrophobicContact CB-CE3 3.57Å; Q129-W134 HydrophobicContact CB-CG 3.82Å; Q129-W134 HydrophobicContact CB-CZ3 4.29Å; Q129-W134 HydrophobicContact CG-CD2 3.8Å; Q129-W134 HydrophobicContact CG-CE3 3.65Å; Q129-W134 HydrophobicContact CG-CG 4.41Å; Q129-W134 HydrophobicContact CG-CH2 4.26Å; Q129-W134 HydrophobicContact CG-CZ2 4.37Å; Q129-W134 HydrophobicContact CG-CZ3 3.89Å; N132-W134 PolarHBondContact O-N 3.47Å; W134-F136 AromaticContact CD1-CD1 3.68Å; W134-F136 AromaticContact CD1-CD2 3.92Å; W134-F136 AromaticContact CD1-CE1 3.57Å; W134-F136 AromaticContact CD1-CE2 3.8Å; W134-F136 AromaticContact CD1-CG 3.87Å; W134-F136 AromaticContact CD1-CZ 3.63Å; W134-F136 AromaticContact NE1-CD1 3.91Å; W134-F136 AromaticContact NE1-CE1 4Å; W134-H913 AromaticContact CH2-CD2 3.69Å; W134-H913 AromaticContact CH2-CE1 3.27Å; W134-H913 WeakPolarHBondContact CH2-CE1 3.24Å; W134-H913 AromaticContact CH2-CG 3.74Å; W134-H913 AromaticContact CH2-ND1 3.46Å; W134-H913 WeakPolarHBondContact CH2-ND1 3.35Å; W134-H913 AromaticContact CH2-NE2 3.38Å; W134-H913 WeakPolarHBondContact CH2-NE2 3.49Å; W134-H913 AromaticContact CZ2-CE1 3.33Å; W134-H913 WeakPolarHBondContact CZ2-CE1 3.48Å; W134-H913 AromaticContact CZ2-NE2 3.37Å; W134-H913 WeakPolarHBondContact CZ2-NE2 3.44Å
135	A	92.2	Very high	92.1	Very high	21 Å²	21	35.8 Å²	35.8	17%	0.174	22%	0.215	C	C	.	.			trans	-113.1	113.5	171.6	0	0	0	0	0	109.1	Q112 Y113 L164	Q112-A135 HydrophobicContact CG-CB 4.07Å; Q112-A135 VanDerWaalsContact NE2-CB 3.26Å; Y113-A135 CarbonylContact O-C 3.56Å; Y113-A135 WeakPolarHBondContact O-CA 3.48Å; A135-L164 HydrophobicContact CB-CD1 3.7Å
136	F	93.6	Very high	92.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.6	-178.6	-66.6	-86.8	0	0	0	110.6	I98 Q112 Y113 M115 Y127 W134 G138 H148 L150	I98-F136 HydrophobicContact CG2-CE1 4.49Å; Q112-F136 WeakPolarHBondContact CA-O 3.11Å; Q112-F136 WeakPolarHBondContact CG-O 3.3Å; Y113-F136 HydrophobicContact CD1-CB 4.07Å; Y113-F136 HydrophobicContact CD2-CB 4.14Å; Y113-F136 HydrophobicContact CD2-CD2 4.22Å; Y113-F136 HydrophobicContact CE1-CB 3.59Å; Y113-F136 HydrophobicContact CE2-CB 3.66Å; Y113-F136 AromaticContact CE2-CD2 3.74Å; Y113-F136 HydrophobicContact CE2-CD2 3.74Å; Y113-F136 AromaticContact CE2-CG 3.86Å; Y113-F136 HydrophobicContact CE2-CG 3.86Å; Y113-F136 HydrophobicContact CG-CB 4.32Å; Y113-F136 AromaticContact CZ-CG 3.87Å; Y113-F136 PolarHBondContact N-O 3.44Å; Y113-F136 PolarHBondContact O-N 2.87Å; M115-F136 HydrophobicContact CB-CD2 4.47Å; M115-F136 HydrophobicContact CB-CE2 3.89Å; Y127-F136 AromaticContact CD1-CE2 3.95Å; Y127-F136 HydrophobicContact CD1-CE2 3.95Å; Y127-F136 AromaticContact CD1-CZ 3.57Å; Y127-F136 HydrophobicContact CD1-CZ 3.57Å; Y127-F136 AromaticContact CE1-CZ 3.81Å; Y127-F136 HydrophobicContact CE1-CZ 3.81Å; Y127-F136 HydrophobicContact CG-CZ 4.37Å; W134-F136 AromaticContact CD1-CD1 3.68Å; W134-F136 AromaticContact CD1-CD2 3.92Å; W134-F136 AromaticContact CD1-CE1 3.57Å; W134-F136 AromaticContact CD1-CE2 3.8Å; W134-F136 AromaticContact CD1-CG 3.87Å; W134-F136 AromaticContact CD1-CZ 3.63Å; W134-F136 AromaticContact NE1-CD1 3.91Å; W134-F136 AromaticContact NE1-CE1 4Å; F136-G138 PolarHBondContact O-N 3.25Å; F136-H148 HydrophobicContact CD1-CB 3.75Å; F136-H148 AromaticContact CD1-CD2 3.75Å; F136-H148 AromaticContact CD1-CG 3.68Å; F136-H148 HydrophobicContact CE1-CB 3.92Å; F136-L150 HydrophobicContact CE1-CD2 4.02Å; F136-L150 HydrophobicContact CZ-CD2 3.65Å
137	P	92.7	Very high	92.3	Very high	73 Å²	73	39.4 Å²	39.4	47%	0.474	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	125	163.7	-21.9	32.9	0	0	0	109.9	H148	P137-H148 PolarHBondContact O-NE2 3.28Å
138	G	95.3	Very high	92.2	Very high	9 Å²	9	41.4 Å²	41.4	9%	0.093	24%	0.241	C	C	.	.			trans	-88.7	-145.1	177.4	0	0	0	0	0	112.1	V110 T111 F136 V146	V110-G138 CarbonylContact O-C 3.47Å; V110-G138 WeakPolarHBondContact O-CA 3.44Å; T111-G138 WeakPolarHBondContact O-CA 3.29Å; T111-G138 PolarHBondContact O-N 2.8Å; F136-G138 PolarHBondContact O-N 3.25Å; G138-V146 WeakPolarHBondContact O-CG2 3.23Å
139	N	98.1	Very high	92.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	26%	0.255	C	S	.	.			trans	-94.1	153.7	-174.6	-58.3	89.3	0	0	0	111.7	T100 Q101 W109 V110 T111 N141 G144	T100-N139 VanDerWaalsContact C-OD1 3.29Å; T100-N139 WeakPolarHBondContact CB-OD1 3.49Å; T100-N139 PolarHBondContact O-ND2 3.48Å; T100-N139 PolarHBondContact O-OD1 2.98Å; T100-N139 PolarHBondContact OG1-OD1 2.99Å; Q101-N139 WeakPolarHBondContact CA-ND2 3.1Å; Q101-N139 PolarHBondContact N-OD1 2.83Å; W109-N139 HydrophobicContact CB-CB 4.26Å; V110-N139 PolarHBondContact O-N 3.29Å; T111-N139 WeakPolarHBondContact CG2-O 3.36Å; N139-N141 WeakPolarHBondContact CB-O 3.32Å; N139-G144 PolarHBondContact ND2-O 3.46Å
140	I	96.4	Very high	92.7	Very high	144 Å²	144	43.7 Å²	43.7	74%	0.738	25%	0.252	S	S	*	.	S	Bend	trans	-104.8	-1.1	171.4	61.6	169.2	0	0	0	112.7	W109	W109-I140 WeakPolarHBondContact CZ2-O 3.4Å
141	N	95.3	Very high	93.1	Very high	66 Å²	66	45.8 Å²	45.8	35%	0.353	26%	0.261	S	S	.	.	S	Bend	trans	-159.2	178.2	-179.8	60.9	35.3	0	0	0	110.6	N139 D143 G144	N139-N141 WeakPolarHBondContact CB-O 3.32Å; N141-D143 PolarHBondContact OD1-N 2.83Å; N141-G144 WeakPolarHBondContact OD1-CA 3.31Å; N141-G144 PolarHBondContact OD1-N 3.2Å
142	S	94.3	Very high	93.5	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-85.3	-20.5	-179	37.1	0	0	0	0	115.7	Q101 G102 R103 S106 R175	Q101-S142 WeakPolarHBondContact CG-O 3.16Å; G102-S142 CarbonylContact C-O 3.59Å; G102-S142 VanDerWaalsContact O-O 3.13Å; R103-S142 WeakPolarHBondContact O-CB 3.18Å; S106-S142 VanDerWaalsContact O-CB 3.25Å; S106-S142 WeakPolarHBondContact O-CB 3.39Å; S106-S142 PolarHBondContact O-OG 2.71Å; S142-R175 PolarHBondContact O-NH2 2.95Å
143	D	94.7	Very high	93.9	Very high	96 Å²	96	48.1 Å²	48.1	51%	0.513	26%	0.263	S	S	.	.	S	Bend	trans	-102.5	-30.6	-171.4	-68.1	-46.8	0	0	0	114.2	Q101 N141	Q101-D143 PolarHBondContact NE2-O 2.8Å; N141-D143 PolarHBondContact OD1-N 2.83Å
144	G	95.7	Very high	94.2	Very high	29 Å²	29	47.7 Å²	47.7	30%	0.299	26%	0.261	S	S	.	.			trans	-72.3	139.1	-178.2	0	0	0	0	0	112.2	N139 N141	N139-G144 PolarHBondContact ND2-O 3.46Å; N141-G144 WeakPolarHBondContact OD1-CA 3.31Å; N141-G144 PolarHBondContact OD1-N 3.2Å
145	V	97.9	Very high	94.4	Very high	65 Å²	65	49.1 Å²	49.1	39%	0.394	27%	0.27	S	S	.	.			trans	-93.3	126.9	172.3	172	0	0	0	0	108.9	I65 A99 Q101	I65-V145 HydrophobicContact CD1-CB 4.19Å; I65-V145 HydrophobicContact CD1-CG1 3.49Å; I65-V145 VanDerWaalsContact CD1-CG1 3.49Å; I65-V145 HydrophobicContact CD1-CG2 3.69Å; I65-V145 HydrophobicContact CG1-CG2 3.84Å; A99-V145 HydrophobicContact CB-CG1 3.91Å; Q101-V145 HydrophobicContact CB-CG2 4.38Å; Q101-V145 HydrophobicContact CG-CG2 4.33Å
146	V	97.4	Very high	94.7	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.8	171.7	176.9	0	0	0	0	107.3	A99 T100 G138	A99-V146 CarbonylContact C-O 3.4Å; A99-V146 WeakPolarHBondContact CA-O 3.39Å; T100-V146 PolarHBondContact N-O 3.22Å; T100-V146 PolarHBondContact O-N 2.73Å; G138-V146 WeakPolarHBondContact O-CG2 3.23Å
147	R	97	Very high	94.8	Very high	73 Å²	73	51.7 Å²	51.7	28%	0.275	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.1	-178.2	176.3	179.8	166.2	116.7	4.9	109.5	D36 I98 A99 E149 Y179	D36-R147 IonicContact OD1-CZ 3.71Å; D36-R147 IonicContact OD1-NH1 2.89Å; D36-R147 PolarHBondContact OD1-NH1 3.43Å; D36-R147 IonicContact OD1-NH2 3.11Å; D36-R147 PolarHBondContact OD1-NH2 3.34Å; D36-R147 IonicContact OD2-NH2 2.69Å; I98-R147 CarbonylContact O-C 3.49Å; I98-R147 WeakPolarHBondContact O-CA 3.46Å; A99-R147 HydrophobicContact CB-CB 3.97Å; A99-R147 HydrophobicContact CB-CG 4.3Å; R147-E149 IonicContact CZ-OE1 2.6Å; R147-E149 IonicContact NE-OE1 2.92Å; R147-E149 PolarHBondContact NE-OE1 3.45Å; R147-E149 VanDerWaalsContact NH2-CD 3.28Å; R147-E149 IonicContact NH2-OE1 3.41Å; R147-E149 PolarHBondContact NH2-OE1 3.09Å; R147-E149 IonicContact NH2-OE2 3.54Å; R147-E149 PolarHBondContact NH2-OE2 3.01Å; R147-E149 VanDerWaalsContact NH2-OE2 3.09Å; R147-Y179 VanDerWaalsContact NH1-CZ 3.25Å
148	H	94.6	Very high	95	Very high	44 Å²	44	49.7 Å²	49.7	20%	0.204	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.6	173.6	-66.6	-71.5	0	0	0	109.6	A97 I98 F136 P137	A97-H148 VanDerWaalsContact CA-O 3.31Å; A97-H148 WeakPolarHBondContact CA-O 3.13Å; A97-H148 WeakPolarHBondContact CB-O 3.46Å; I98-H148 HydrophobicContact CG2-CB 4.29Å; I98-H148 PolarHBondContact N-O 3.26Å; I98-H148 PolarHBondContact O-N 2.88Å; F136-H148 HydrophobicContact CD1-CB 3.75Å; F136-H148 AromaticContact CD1-CD2 3.75Å; F136-H148 AromaticContact CD1-CG 3.68Å; F136-H148 HydrophobicContact CE1-CB 3.92Å; P137-H148 PolarHBondContact O-NE2 3.28Å
149	E	93.6	Very high	95.2	Very high	113 Å²	113	49.3 Å²	49.3	53%	0.528	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.3	162.7	-57.7	-57.6	147	0	0	107.8	A97 R147 Q151	A97-E149 WeakPolarHBondContact CB-OE2 3.29Å; R147-E149 IonicContact CZ-OE1 2.6Å; R147-E149 IonicContact NE-OE1 2.92Å; R147-E149 PolarHBondContact NE-OE1 3.45Å; R147-E149 VanDerWaalsContact NH2-CD 3.28Å; R147-E149 IonicContact NH2-OE1 3.41Å; R147-E149 PolarHBondContact NH2-OE1 3.09Å; R147-E149 IonicContact NH2-OE2 3.54Å; R147-E149 PolarHBondContact NH2-OE2 3.01Å; R147-E149 VanDerWaalsContact NH2-OE2 3.09Å; E149-Q151 PolarHBondContact O-N 2.91Å
150	L	93	Very high	95.2	Very high	10 Å²	10	51 Å²	51	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.5	171.7	-59.1	-177.5	0	0	0	107.4	I95 S96 I98 M115 Y127 F136 H152 I154	I95-L150 HydrophobicContact CG2-CD1 3.95Å; S96-L150 VanDerWaalsContact O-CB 3.3Å; S96-L150 WeakPolarHBondContact O-CB 3.24Å; S96-L150 WeakPolarHBondContact O-CG 3.31Å; S96-L150 PolarHBondContact O-N 3.33Å; I98-L150 HydrophobicContact CG2-CD2 4.45Å; M115-L150 HydrophobicContact SD-CD1 4.4Å; M115-L150 HydrophobicContact SD-CD2 4.32Å; Y127-L150 HydrophobicContact CD1-CD2 4.45Å; Y127-L150 HydrophobicContact CD2-CD1 4.46Å; Y127-L150 HydrophobicContact CD2-CD2 4.38Å; Y127-L150 HydrophobicContact CE1-CD2 4.07Å; Y127-L150 HydrophobicContact CE2-CB 4.08Å; Y127-L150 HydrophobicContact CE2-CD1 4.08Å; Y127-L150 HydrophobicContact CE2-CD2 4Å; Y127-L150 HydrophobicContact CE2-CG 4.28Å; F136-L150 HydrophobicContact CE1-CD2 4.02Å; F136-L150 HydrophobicContact CZ-CD2 3.65Å; L150-H152 PolarHBondContact O-N 3.02Å; L150-I154 HydrophobicContact CD1-CG1 4.3Å
151	Q	86.8	Confident	95.3	Very high	61 Å²	61	44.1 Å²	44.1	29%	0.285	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.7	-35.5	172.2	-171.8	-170.9	38.7	0	0	111.1	Y127 Q129 D130 E149	Y127-Q151 PolarHBondContact OH-N 2.94Å; Y127-Q151 VanDerWaalsContact OH-N 3.16Å; Q129-Q151 HydrophobicContact CG-CB 4.48Å; D130-Q151 PolarHBondContact OD1-NE2 3.17Å; E149-Q151 PolarHBondContact O-N 2.91Å
152	H	89.4	Confident	95.3	Very high	50 Å²	50	42.2 Å²	42.2	23%	0.231	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	129.8	174.5	-54.2	97.7	0	0	0	111.5	Y127 L150 R294	Y127-H152 PolarHBondContact OH-N 3.07Å; L150-H152 PolarHBondContact O-N 3.02Å; H152-R294 VanDerWaalsContact CB-NE 3.33Å; H152-R294 VanDerWaalsContact CB-NH2 3.26Å; H152-R294 PolarHBondContact ND1-NH1 3.02Å; H152-R294 PolarHBondContact O-NH2 3.27Å
153	P	93.8	Very high	95.5	Very high	62 Å²	62	41.6 Å²	41.6	40%	0.403	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	151.1	175.6	-25.3	34.6	0	0	0	113.1	Q94 I95 R294	Q94-P153 HydrophobicContact CG-CB 3.98Å; I95-P153 CarbonylContact O-C 3.6Å; I95-P153 WeakPolarHBondContact O-CA 3.34Å; I95-P153 WeakPolarHBondContact O-CB 3.17Å; P153-R294 PolarHBondContact O-NH2 3.02Å
154	I	95.3	Very high	95.5	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.7	173.6	61.7	168.6	0	0	0	110.3	Q94 I95 M115 Y117 Y127 L150	Q94-I154 CarbonylContact C-O 3.11Å; Q94-I154 WeakPolarHBondContact CA-O 3.39Å; I95-I154 HydrophobicContact CB-CG1 3.87Å; I95-I154 HydrophobicContact CD1-CD1 4.12Å; I95-I154 HydrophobicContact CD1-CG1 4.09Å; I95-I154 HydrophobicContact CG2-CG1 4.44Å; I95-I154 PolarHBondContact N-O 3.29Å; I95-I154 PolarHBondContact O-N 3.09Å; M115-I154 HydrophobicContact CE-CD1 3.55Å; M115-I154 HydrophobicContact CE-CG1 4.49Å; Y117-I154 HydrophobicContact CD1-CD1 3.57Å; Y117-I154 HydrophobicContact CD2-CD1 4.14Å; Y117-I154 HydrophobicContact CE1-CD1 4.19Å; Y117-I154 HydrophobicContact CE1-CG2 4.26Å; Y117-I154 HydrophobicContact CG-CD1 3.54Å; Y127-I154 HydrophobicContact CD2-CG2 3.82Å; Y127-I154 HydrophobicContact CE2-CG2 3.97Å; L150-I154 HydrophobicContact CD1-CG1 4.3Å
155	I	96	Very high	95.6	Very high	53 Å²	53	40.6 Å²	40.6	27%	0.272	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.8	172.2	-60.8	159.9	0	0	0	108.1	R92 K93 Y183	R92-I155 HydrophobicContact CB-CG2 4.25Å; K93-I155 VanDerWaalsContact O-CA 3.32Å; K93-I155 WeakPolarHBondContact O-CA 3.42Å; I155-Y183 HydrophobicContact CD1-CD1 4.39Å; I155-Y183 HydrophobicContact CD1-CD2 3.87Å; I155-Y183 HydrophobicContact CD1-CE1 4.04Å; I155-Y183 HydrophobicContact CD1-CE2 3.47Å; I155-Y183 VanDerWaalsContact CD1-CE2 3.47Å; I155-Y183 HydrophobicContact CD1-CG 4.31Å; I155-Y183 HydrophobicContact CG1-CD2 4.13Å; I155-Y183 HydrophobicContact CG1-CE2 4.24Å; I155-Y183 HydrophobicContact CG1-CG 4.27Å; I155-Y183 HydrophobicContact CG2-CD1 3.47Å; I155-Y183 VanDerWaalsContact CG2-CD1 3.47Å; I155-Y183 HydrophobicContact CG2-CD2 4.5Å; I155-Y183 HydrophobicContact CG2-CE1 3.81Å; I155-Y183 HydrophobicContact CG2-CG 3.85Å
156	A	97	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.5	179.8	0	0	0	0	0	112.1	K93 I95 Y117 D119	K93-A156 PolarHBondContact N-O 2.84Å; K93-A156 PolarHBondContact O-N 3Å; I95-A156 HydrophobicContact CD1-CB 4.09Å; Y117-A156 HydrophobicContact CD2-CB 3.99Å; Y117-A156 HydrophobicContact CG-CB 4.29Å; D119-A156 WeakPolarHBondContact OD1-CA 3.41Å
157	R	96.3	Very high	95.6	Very high	78 Å²	78	39.7 Å²	39.7	29%	0.294	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-35.2	168.6	174.6	177	166.9	178.4	-3	112.4	D88 F89 G90 R92 S118	D88-R157 WeakPolarHBondContact OD1-CG 3.28Å; D88-R157 IonicContact OD1-CZ 3.67Å; D88-R157 IonicContact OD1-NE 3.84Å; D88-R157 PolarHBondContact OD1-NE 3.39Å; D88-R157 IonicContact OD1-NH2 3.91Å; D88-R157 PolarHBondContact OD1-NH2 2.77Å; D88-R157 IonicContact OD2-CZ 3.78Å; D88-R157 IonicContact OD2-NE 3.26Å; D88-R157 IonicContact OD2-NH2 3.76Å; D88-R157 PolarHBondContact OD2-NH2 2.96Å; F89-R157 WeakPolarHBondContact CD2-O 3.36Å; F89-R157 PolarHBondContact N-O 3.22Å; G90-R157 PolarHBondContact O-NE 3.35Å; R92-R157 HydrophobicContact CG-CB 4.34Å; S118-R157 PolarHBondContact O-N 2.04Å
158	Y	98.2	Very high	95.4	Very high	31 Å²	31	40 Å²	40	12%	0.122	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.2	-178.3	-58.6	-93.4	0	0	0	110.4	V87 D88 Y117 S118 D119 G121	V87-Y158 VanDerWaalsContact O-CA 3.31Å; V87-Y158 WeakPolarHBondContact O-CA 3.4Å; D88-Y158 HydrophobicContact CB-CD1 3.71Å; D88-Y158 HydrophobicContact CB-CE1 3.5Å; Y117-Y158 VanDerWaalsContact CA-O 3.3Å; Y117-Y158 WeakPolarHBondContact CA-O 3.35Å; S118-Y158 PolarHBondContact N-O 2.8Å; S118-Y158 VanDerWaalsContact N-O 3.07Å; S118-Y158 PolarHBondContact O-N 3.41Å; D119-Y158 WeakPolarHBondContact O-CE2 3.47Å; G121-Y158 VanDerWaalsContact N-CE2 3.31Å
159	V	98.5	Very high	95.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	170.9	167.7	0	0	0	0	108.6	Q86 V87 F89 I95 M115 L116 I161	Q86-V159 CarbonylContact C-O 3.53Å; Q86-V159 VanDerWaalsContact CA-O 3.31Å; Q86-V159 WeakPolarHBondContact CA-O 3.26Å; V87-V159 PolarHBondContact N-O 3.24Å; V87-V159 PolarHBondContact O-N 2.97Å; V87-V159 VanDerWaalsContact O-N 3.09Å; F89-V159 HydrophobicContact CE2-CB 4.22Å; F89-V159 HydrophobicContact CE2-CG2 3.73Å; F89-V159 HydrophobicContact CZ-CB 4.46Å; F89-V159 HydrophobicContact CZ-CG2 4.26Å; I95-V159 HydrophobicContact CD1-CG2 3.44Å; I95-V159 VanDerWaalsContact CD1-CG2 3.44Å; M115-V159 HydrophobicContact CE-CB 4.33Å; M115-V159 HydrophobicContact CE-CG1 3.7Å; M115-V159 HydrophobicContact CE-CG2 3.59Å; M115-V159 HydrophobicContact CG-CG1 4.08Å; L116-V159 CarbonylContact O-C 3.51Å; L116-V159 WeakPolarHBondContact O-CA 3.43Å; V159-I161 HydrophobicContact CG1-CD1 3.93Å
160	R	97.7	Very high	95.5	Very high	35 Å²	35	41.8 Å²	41.8	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.9	175.6	-179.1	-176.8	-73.9	174.9	-0.1	110.2	W84 L85 Q86 M115 L116 W124 V162	W84-R160 HydrophobicContact CB-CG 3.65Å; W84-R160 HydrophobicContact CD2-CG 4.4Å; W84-R160 HydrophobicContact CE3-CG 4.27Å; W84-R160 HydrophobicContact CG-CG 4.18Å; L85-R160 CarbonylContact O-C 3.54Å; L85-R160 VanDerWaalsContact O-CA 3.26Å; L85-R160 WeakPolarHBondContact O-CA 3.45Å; Q86-R160 HydrophobicContact CB-CB 4.47Å; M115-R160 WeakPolarHBondContact CA-O 3.44Å; L116-R160 HydrophobicContact CB-CB 4.24Å; L116-R160 PolarHBondContact N-O 3.07Å; L116-R160 PolarHBondContact O-N 3.42Å; W124-R160 VanDerWaalsContact CE2-CZ 3.41Å; W124-R160 HydrophobicContact CE3-CB 4.07Å; W124-R160 HydrophobicContact CH2-CB 3.92Å; W124-R160 VanDerWaalsContact CZ2-NH2 3.29Å; W124-R160 HydrophobicContact CZ3-CB 3.62Å; R160-V162 HydrophobicContact CG-CG2 4.14Å
161	I	98.2	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.5	174.7	-51.5	-50	0	0	0	108	W84 L85 I98 Y113 M115 V159 L174 I176	W84-I161 VanDerWaalsContact CA-O 3.29Å; W84-I161 WeakPolarHBondContact CA-O 3.45Å; L85-I161 PolarHBondContact N-O 3.03Å; L85-I161 PolarHBondContact O-N 2.97Å; I98-I161 HydrophobicContact CD1-CD1 3.18Å; I98-I161 HydrophobicContact CD1-CG1 4.22Å; Y113-I161 HydrophobicContact CD2-CG2 3.75Å; Y113-I161 HydrophobicContact CE2-CG2 4.48Å; Y113-I161 HydrophobicContact CG-CG2 4.08Å; M115-I161 HydrophobicContact CG-CD1 4.35Å; V159-I161 HydrophobicContact CG1-CD1 3.93Å; I161-L174 HydrophobicContact CB-CD1 4.43Å; I161-L174 HydrophobicContact CG2-CD1 3.83Å; I161-I176 HydrophobicContact CG1-CD1 4.09Å; I161-I176 HydrophobicContact CG1-CG2 4.4Å
162	V	96.7	Very high	96.1	Very high	26 Å²	26	43.1 Å²	43.1	16%	0.158	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.2	-178.8	-176.1	0	0	0	0	107.7	W84 Y113 R114 L116 R160 L164	W84-V162 HydrophobicContact CB-CG2 4.23Å; Y113-V162 CarbonylContact C-O 3.51Å; Y113-V162 VanDerWaalsContact CA-O 3.29Å; Y113-V162 WeakPolarHBondContact CA-O 3.45Å; Y113-V162 WeakPolarHBondContact CB-O 3.48Å; R114-V162 HydrophobicContact CB-CB 4.47Å; R114-V162 PolarHBondContact N-O 2.02Å; R114-V162 PolarHBondContact O-N 2.85Å; L116-V162 HydrophobicContact CD1-CG2 3.81Å; L116-V162 HydrophobicContact CG-CG2 3.99Å; R160-V162 HydrophobicContact CG-CG2 4.14Å; V162-L164 PolarHBondContact O-N 3.42Å
163	P	97.7	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.8	173.3	-21.9	34.6	0	0	0	110.8	W74 Q83 V110 I172 L174	W74-P163 HydrophobicContact CZ3-CG 4.43Å; Q83-P163 VanDerWaalsContact O-CD 3.26Å; Q83-P163 WeakPolarHBondContact O-CD 3.34Å; V110-P163 HydrophobicContact CG1-CB 4.04Å; V110-P163 HydrophobicContact CG2-CB 3.92Å; V110-P163 HydrophobicContact CG2-CG 4.07Å; P163-I172 HydrophobicContact CB-CD1 3.97Å; P163-I172 HydrophobicContact CB-CG1 4.23Å; P163-I172 HydrophobicContact CB-CG2 4.23Å; P163-I172 HydrophobicContact CG-CD1 4.16Å; P163-I172 HydrophobicContact CG-CG2 3.68Å; P163-L174 HydrophobicContact CG-CD1 4.22Å
164	L	94.4	Very high	96.7	Very high	33 Å²	33	37.8 Å²	37.8	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-49.4	170.7	-64	-177.6	0	0	0	110.1	H81 Q112 R114 A135 V162	H81-L164 PolarHBondContact CD2-O 2.88Å; H81-L164 VanDerWaalsContact CD2-O 3.22Å; H81-L164 PolarHBondContact NE2-O 3.35Å; Q112-L164 HydrophobicContact CB-CB 4.28Å; Q112-L164 HydrophobicContact CG-CB 4.5Å; Q112-L164 HydrophobicContact CG-CD1 4.2Å; Q112-L164 PolarHBondContact O-N 3.16Å; R114-L164 HydrophobicContact CG-CD1 3.69Å; R114-L164 HydrophobicContact CG-CD2 4.1Å; R114-L164 HydrophobicContact CG-CG 4.01Å; A135-L164 HydrophobicContact CB-CD1 3.7Å; V162-L164 PolarHBondContact O-N 3.42Å
165	D	97.4	Very high	96.9	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.4	-179.2	-65.9	-76.9	0	0	0	110.9	V110 T111 Q112	V110-D165 CarbonylContact C-O 3.51Å; V110-D165 WeakPolarHBondContact CA-O 3.31Å; V110-D165 WeakPolarHBondContact CG1-O 3.49Å; T111-D165 PolarHBondContact N-O 3.2Å; T111-D165 VanDerWaalsContact OG1-CB 3.31Å; T111-D165 WeakPolarHBondContact OG1-CB 3.08Å; T111-D165 PolarHBondContact OG1-O 3.3Å; Q112-D165 HydrophobicContact CB-CB 4.1Å; Q112-D165 PolarHBondContact N-O 3.21Å; Q112-D165 PolarHBondContact O-N 2.78Å; Q112-D165 VanDerWaalsContact O-N 3.17Å; Q112-D165 PolarHBondContact OE1-OD2 2.68Å
166	W	97.7	Very high	97	Very high	59 Å²	59	35.1 Å²	35.1	22%	0.223	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	171.7	179.8	55.3	88.8	0	0	0	111.2	S79 W109 T111 G168 I172	S79-W166 WeakPolarHBondContact O-CH2 3.43Å; S79-W166 WeakPolarHBondContact O-CZ2 3.43Å; W109-W166 WeakPolarHBondContact O-CA 3.2Å; W109-W166 VanDerWaalsContact O-CB 3.24Å; W109-W166 WeakPolarHBondContact O-CB 3.46Å; T111-W166 PolarHBondContact OG1-N 3.48Å; W166-G168 PolarHBondContact O-N 2.84Å; W166-I172 HydrophobicContact CB-CG1 4.33Å; W166-I172 HydrophobicContact CD2-CD1 4.26Å; W166-I172 HydrophobicContact CD2-CG1 3.6Å; W166-I172 HydrophobicContact CE3-CD1 3.81Å; W166-I172 HydrophobicContact CE3-CG1 3.54Å; W166-I172 HydrophobicContact CG-CG1 3.95Å; W166-I172 HydrophobicContact CH2-CD1 4.36Å; W166-I172 HydrophobicContact CZ3-CD1 3.87Å; W166-I172 HydrophobicContact CZ3-CG1 4.12Å
167	N	97.6	Very high	97	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	18%	0.184	C	C	.	.			trans	-57.1	125.2	176.8	-175.1	24	0	0	0	112.2	S107 W109 E169 G170	S107-N167 WeakPolarHBondContact O-CB 3.42Å; S107-N167 PolarHBondContact O-ND2 2.79Å; W109-N167 HydrophobicContact CD2-CB 3.96Å; W109-N167 VanDerWaalsContact CE2-CB 3.49Å; W109-N167 HydrophobicContact CG-CB 4.32Å; W109-N167 HydrophobicContact CH2-CB 4.42Å; W109-N167 WeakPolarHBondContact CH2-ND2 3.43Å; W109-N167 HydrophobicContact CZ2-CB 3.73Å; W109-N167 WeakPolarHBondContact CZ2-ND2 3.2Å; W109-N167 PolarHBondContact O-N 3.15Å; N167-E169 PolarHBondContact O-N 3.43Å; N167-E169 PolarHBondContact OD1-N 3.12Å; N167-G170 CarbonylContact O-C 3.57Å; N167-G170 PolarHBondContact O-N 3.1Å
168	G	94	Very high	97.1	Very high	80 Å²	80	31.5 Å²	31.5	83%	0.825	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.1	179.6	0	0	0	0	0	114.5	W166 G170	W166-G168 PolarHBondContact O-N 2.84Å; G168-G170 VanDerWaalsContact C-N 3.33Å
169	E	94.8	Very high	97.1	Very high	174 Å²	174	32 Å²	32	81%	0.813	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3	175.1	-59.5	-169.1	161.5	0	0	113.6	S107 N167	S107-E169 PolarHBondContact OG-O 3.08Å; N167-E169 PolarHBondContact O-N 3.43Å; N167-E169 PolarHBondContact OD1-N 3.12Å
170	G	94.7	Very high	97.1	Very high	20 Å²	20	32 Å²	32	21%	0.206	17%	0.172	C	C	.	.	S	Bend	trans	-135.7	-154.3	-175.1	0	0	0	0	0	112.9	N167 G168	N167-G170 CarbonylContact O-C 3.57Å; N167-G170 PolarHBondContact O-N 3.1Å; G168-G170 VanDerWaalsContact C-N 3.33Å
171	R	95.7	Very high	97	Very high	98 Å²	98	32.1 Å²	32.1	37%	0.37	18%	0.178	S	C	.	.			trans	-124.6	178.3	178.6	-58.1	-179.3	74.5	83.6	-4.3	110.9	S77 S79 D108 W109 G173	S77-R171 PolarHBondContact O-NH2 2.84Å; S79-R171 WeakPolarHBondContact OG-CB 3.25Å; D108-R171 CarbonylContact C-O 3.59Å; D108-R171 VanDerWaalsContact CA-O 3.25Å; D108-R171 WeakPolarHBondContact CA-O 3.38Å; D108-R171 WeakPolarHBondContact CB-O 3.44Å; D108-R171 WeakPolarHBondContact OD1-CB 3.46Å; D108-R171 PolarHBondContact OD1-N 3.36Å; W109-R171 PolarHBondContact N-O 2.9Å; R171-G173 PolarHBondContact O-N 2.7Å
172	I	98	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.			trans	-60.4	121.7	163.8	-63.4	173.7	0	0	0	109.1	W74 S75 P76 S79 Q83 V110 P163 W166	W74-I172 HydrophobicContact CH2-CG2 4.3Å; W74-I172 HydrophobicContact CZ3-CG2 3.8Å; S75-I172 WeakPolarHBondContact CB-O 3.5Å; S75-I172 PolarHBondContact OG-O 3.3Å; P76-I172 HydrophobicContact CG-CB 3.81Å; P76-I172 HydrophobicContact CG-CD1 4.05Å; P76-I172 HydrophobicContact CG-CG2 3.85Å; S79-I172 PolarHBondContact OG-N 3.39Å; Q83-I172 HydrophobicContact CB-CD1 3.97Å; Q83-I172 HydrophobicContact CG-CD1 3.97Å; V110-I172 HydrophobicContact CG2-CG2 3.97Å; P163-I172 HydrophobicContact CB-CD1 3.97Å; P163-I172 HydrophobicContact CB-CG1 4.23Å; P163-I172 HydrophobicContact CB-CG2 4.23Å; P163-I172 HydrophobicContact CG-CD1 4.16Å; P163-I172 HydrophobicContact CG-CG2 3.68Å; W166-I172 HydrophobicContact CB-CG1 4.33Å; W166-I172 HydrophobicContact CD2-CD1 4.26Å; W166-I172 HydrophobicContact CD2-CG1 3.6Å; W166-I172 HydrophobicContact CE3-CD1 3.81Å; W166-I172 HydrophobicContact CE3-CG1 3.54Å; W166-I172 HydrophobicContact CG-CG1 3.95Å; W166-I172 HydrophobicContact CH2-CD1 4.36Å; W166-I172 HydrophobicContact CZ3-CD1 3.87Å; W166-I172 HydrophobicContact CZ3-CG1 4.12Å
173	G	97.5	Very high	96.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.			trans	-142.8	125.1	174.7	0	0	0	0	0	110.6	W74 W109 R171	W74-G173 WeakPolarHBondContact O-CA 3.11Å; W109-G173 WeakPolarHBondContact CA-O 3.21Å; R171-G173 PolarHBondContact O-N 2.7Å
174	L	97.8	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-134.9	142.4	-177.9	-70.7	175.2	0	0	0	113.8	W74 L85 Q101 V110 I161 P163 I176	W74-L174 HydrophobicContact CE3-CB 4.07Å; W74-L174 HydrophobicContact CE3-CD1 4.11Å; W74-L174 HydrophobicContact CE3-CG 4.39Å; W74-L174 HydrophobicContact CZ3-CD1 3.86Å; W74-L174 HydrophobicContact CZ3-CG 4.45Å; W74-L174 PolarHBondContact N-O 3.34Å; W74-L174 PolarHBondContact O-N 2.76Å; L85-L174 HydrophobicContact CD2-CB 4.27Å; L85-L174 HydrophobicContact CD2-CD1 4.43Å; Q101-L174 CarbonylContact O-C 3.49Å; V110-L174 HydrophobicContact CB-CD2 3.68Å; V110-L174 HydrophobicContact CB-CG 4.38Å; V110-L174 HydrophobicContact CG1-CD2 4.45Å; V110-L174 HydrophobicContact CG2-CD1 4.15Å; V110-L174 HydrophobicContact CG2-CD2 3.51Å; V110-L174 HydrophobicContact CG2-CG 3.65Å; I161-L174 HydrophobicContact CB-CD1 4.43Å; I161-L174 HydrophobicContact CG2-CD1 3.83Å; P163-L174 HydrophobicContact CG-CD1 4.22Å; L174-I176 HydrophobicContact CB-CG2 4.45Å
175	R	98.1	Very high	96.2	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.1	156.1	-70.2	179.8	-72.6	170.3	1.6	107.3	K64 K67 G72 T100 Q101 G102 S142	K64-R175 WeakPolarHBondContact O-CD 3.35Å; K67-R175 VanDerWaalsContact O-CD 3.32Å; K67-R175 WeakPolarHBondContact O-CD 3.46Å; K67-R175 PolarHBondContact O-NH1 3.42Å; G72-R175 VanDerWaalsContact O-CD 3.26Å; G72-R175 WeakPolarHBondContact O-CD 3.35Å; G72-R175 PolarHBondContact O-NE 3.44Å; T100-R175 CarbonylContact C-O 3.58Å; T100-R175 WeakPolarHBondContact CA-O 3.43Å; Q101-R175 HydrophobicContact CB-CB 4.18Å; Q101-R175 VanDerWaalsContact CG-NH2 3.33Å; Q101-R175 PolarHBondContact N-O 2.96Å; Q101-R175 PolarHBondContact O-N 2.81Å; G102-R175 VanDerWaalsContact O-CZ 3.25Å; G102-R175 PolarHBondContact O-NE 2.99Å; G102-R175 PolarHBondContact O-NH2 3.39Å; S142-R175 PolarHBondContact O-NH2 2.95Å
176	I	98	Very high	95.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.3	-173.3	64.9	169.1	0	0	0	112.2	V40 A63 I65 L85 V87 A99 T100 I161 L174	V40-I176 HydrophobicContact CG1-CG1 4.49Å; A63-I176 WeakPolarHBondContact O-CG1 3.42Å; A63-I176 PolarHBondContact O-N 3.06Å; I65-I176 PolarHBondContact N-O 3.06Å; L85-I176 HydrophobicContact CD2-CD1 3.87Å; L85-I176 HydrophobicContact CD2-CG1 4.13Å; L85-I176 HydrophobicContact CD2-CG2 4.23Å; L85-I176 HydrophobicContact CG-CD1 4.48Å; V87-I176 HydrophobicContact CG2-CD1 3.68Å; A99-I176 CarbonylContact O-C 3.58Å; A99-I176 VanDerWaalsContact O-CA 3.29Å; A99-I176 WeakPolarHBondContact O-CA 3.26Å; T100-I176 HydrophobicContact CG2-CG2 4.24Å; I161-I176 HydrophobicContact CG1-CD1 4.09Å; I161-I176 HydrophobicContact CG1-CG2 4.4Å; L174-I176 HydrophobicContact CB-CG2 4.45Å
177	E	98.1	Very high	95.6	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.9	163.3	-176.9	59	-88.1	0	0	108.5	P38 L39 V40 S41 I65 A99 Y179	P38-E177 HydrophobicContact CB-CG 4.16Å; L39-E177 PolarHBondContact N-OE1 3.33Å; V40-E177 WeakPolarHBondContact CA-OE1 3.35Å; V40-E177 WeakPolarHBondContact CB-OE1 3.2Å; V40-E177 WeakPolarHBondContact CG2-OE1 3.08Å; V40-E177 PolarHBondContact N-OE1 2.8Å; S41-E177 VanDerWaalsContact CB-OE2 3.23Å; S41-E177 WeakPolarHBondContact CB-OE2 3.36Å; S41-E177 PolarHBondContact N-OE2 3.23Å; S41-E177 VanDerWaalsContact N-OE2 3.11Å; S41-E177 PolarHBondContact OG-OE2 3.22Å; I65-E177 HydrophobicContact CB-CB 3.96Å; I65-E177 HydrophobicContact CD1-CB 4.13Å; I65-E177 HydrophobicContact CG2-CB 3.64Å; I65-E177 HydrophobicContact CG2-CG 4.25Å; A99-E177 HydrophobicContact CB-CB 4.48Å; A99-E177 PolarHBondContact N-O 2.06Å; A99-E177 PolarHBondContact O-N 2.84Å; E177-Y179 HydrophobicContact CB-CE2 3.98Å; E177-Y179 HydrophobicContact CG-CD1 4.43Å; E177-Y179 HydrophobicContact CG-CD2 4.2Å; E177-Y179 HydrophobicContact CG-CE1 3.85Å; E177-Y179 HydrophobicContact CG-CE2 3.58Å
178	V	98.4	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	177.4	179.8	0	0	0	0	106.6	L39 V40 F89 I95	L39-V178 VanDerWaalsContact CB-O 3.26Å; L39-V178 WeakPolarHBondContact CB-O 3.26Å; L39-V178 HydrophobicContact CD1-CG1 4.33Å; L39-V178 WeakPolarHBondContact CG-O 3.08Å; L39-V178 PolarHBondContact N-O 2.95Å; V40-V178 HydrophobicContact CG2-CB 3.8Å; V40-V178 HydrophobicContact CG2-CG2 3.82Å; F89-V178 HydrophobicContact CE1-CB 4.43Å; F89-V178 HydrophobicContact CZ-CB 3.95Å; F89-V178 HydrophobicContact CZ-CG1 3.89Å; F89-V178 HydrophobicContact CZ-CG2 4.21Å; I95-V178 HydrophobicContact CB-CG1 4.33Å; I95-V178 HydrophobicContact CG1-CG1 4.05Å; I95-V178 HydrophobicContact CG2-CG1 3.4Å; I95-V178 VanDerWaalsContact CG2-CG1 3.4Å
179	Y	98.4	Very high	95.4	Very high	43 Å²	43	36.8 Å²	36.8	17%	0.169	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.1	-175.6	-55.8	-100.2	0	0	0	111	D36 E37 P38 I95 S96 A97 A99 R147 E177	D36-Y179 VanDerWaalsContact OD1-CB 3.3Å; D36-Y179 WeakPolarHBondContact OD1-CB 3.28Å; E37-Y179 CarbonylContact O-C 3.55Å; E37-Y179 VanDerWaalsContact O-CA 3.29Å; E37-Y179 WeakPolarHBondContact O-CA 3.2Å; P38-Y179 HydrophobicContact CB-CD1 4.26Å; P38-Y179 HydrophobicContact CB-CE1 4.18Å; I95-Y179 WeakPolarHBondContact CA-O 3.4Å; S96-Y179 PolarHBondContact N-O 3.31Å; S96-Y179 PolarHBondContact OG-O 2.95Å; A97-Y179 HydrophobicContact CB-CD2 4.13Å; A97-Y179 HydrophobicContact CB-CG 4.49Å; A97-Y179 PolarHBondContact N-O 3Å; A97-Y179 PolarHBondContact O-N 2.63Å; A99-Y179 HydrophobicContact CB-CE2 3.85Å; R147-Y179 VanDerWaalsContact NH1-CZ 3.25Å; E177-Y179 HydrophobicContact CB-CE2 3.98Å; E177-Y179 HydrophobicContact CG-CD1 4.43Å; E177-Y179 HydrophobicContact CG-CD2 4.2Å; E177-Y179 HydrophobicContact CG-CE1 3.85Å; E177-Y179 HydrophobicContact CG-CE2 3.58Å
180	G	97.5	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-151.5	-176.7	0	0	0	0	0	113.5	C35 E37 Q94	C35-G180 VanDerWaalsContact SG-C 3.58Å; E37-G180 WeakPolarHBondContact CB-O 3.48Å; E37-G180 PolarHBondContact N-O 3.06Å; E37-G180 PolarHBondContact O-N 3.07Å; Q94-G180 CarbonylContact O-C 3.59Å; Q94-G180 WeakPolarHBondContact O-CA 3.48Å
181	C	97	Very high	95	Very high	37 Å²	37	31.2 Å²	31.2	25%	0.25	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.8	-179	59.9	0	0	0	0	111.7	C35 K93 Q94	C35-C181 HydrophobicContact CB-CB 3.96Å; C35-C181 WeakPolarHBondContact CB-SG 3.43Å; C35-C181 WeakPolarHBondContact SG-CB 3.29Å; C35-C181 PolarHBondContact SG-N 3.32Å; C35-C181 CovalentContact SG-SG 2.05Å; C35-C181 PolarHBondContact SG-SG 3.36Å; K93-C181 CarbonylContact C-O 3.51Å; K93-C181 WeakPolarHBondContact CA-O 3.23Å; Q94-C181 PolarHBondContact N-O 3.29Å; Q94-C181 PolarHBondContact O-N 2.86Å
182	S	95.3	Very high	94.7	Very high	86 Å²	86	27.4 Å²	27.4	60%	0.601	14%	0.143	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	134.8	177.6	-68.5	0	0	0	0	111.2	K93	K93-S182 PolarHBondContact NZ-OG 3Å
183	Y	94.5	Very high	94.2	Very high	40 Å²	40	33.6 Å²	33.6	16%	0.157	17%	0.172	C	C	.	.			trans	-120.5	138.9	175	179.6	-88.2	0	0	0	109.9	R92 I155 A185 E338	R92-Y183 HydrophobicContact CB-CD1 4.3Å; R92-Y183 PolarHBondContact O-N 3.4Å; R92-Y183 VanDerWaalsContact O-N 3.12Å; I155-Y183 HydrophobicContact CD1-CD1 4.39Å; I155-Y183 HydrophobicContact CD1-CD2 3.87Å; I155-Y183 HydrophobicContact CD1-CE1 4.04Å; I155-Y183 HydrophobicContact CD1-CE2 3.47Å; I155-Y183 VanDerWaalsContact CD1-CE2 3.47Å; I155-Y183 HydrophobicContact CD1-CG 4.31Å; I155-Y183 HydrophobicContact CG1-CD2 4.13Å; I155-Y183 HydrophobicContact CG1-CE2 4.24Å; I155-Y183 HydrophobicContact CG1-CG 4.27Å; I155-Y183 HydrophobicContact CG2-CD1 3.47Å; I155-Y183 VanDerWaalsContact CG2-CD1 3.47Å; I155-Y183 HydrophobicContact CG2-CD2 4.5Å; I155-Y183 HydrophobicContact CG2-CE1 3.81Å; I155-Y183 HydrophobicContact CG2-CG 3.85Å; Y183-A185 HydrophobicContact CE1-CB 4.08Å; Y183-E338 PolarHBondContact OH-OE1 3.24Å
184	W	89.4	Confident	93.6	Very high	181 Å²	181	34.2 Å²	34.2	69%	0.686	18%	0.176	S	C	*	.			trans	-150.5	137.1	175.6	173.5	86.8	0	0	0	110.1	D186	W184-D186 HydrophobicContact CH2-CB 4.47Å; W184-D186 VanDerWaalsContact CH2-CG 3.47Å; W184-D186 VanDerWaalsContact CH2-OD2 3.23Å; W184-D186 WeakPolarHBondContact CH2-OD2 3.27Å; W184-D186 VanDerWaalsContact CZ2-CG 3.45Å; W184-D186 WeakPolarHBondContact CZ2-OD1 3.45Å
185	A	90.4	Very high	93.2	Very high	16 Å²	16	34.3 Å²	34.3	13%	0.132	18%	0.176	C	C	.	.			trans	-146.3	148.8	173.1	0	0	0	0	0	109.3	Y183 E338	Y183-A185 HydrophobicContact CE1-CB 4.08Å; A185-E338 HydrophobicContact CB-CB 4.11Å; A185-E338 HydrophobicContact CB-CG 4.23Å
186	D	89.4	Confident	92.9	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	18%	0.176	C	C	.	.			trans	-75.2	135.7	170.7	-82.4	-41.5	0	0	0	110.4	W184 E338 T348 R352	W184-D186 HydrophobicContact CH2-CB 4.47Å; W184-D186 VanDerWaalsContact CH2-CG 3.47Å; W184-D186 VanDerWaalsContact CH2-OD2 3.23Å; W184-D186 WeakPolarHBondContact CH2-OD2 3.27Å; W184-D186 VanDerWaalsContact CZ2-CG 3.45Å; W184-D186 WeakPolarHBondContact CZ2-OD1 3.45Å; D186-E338 WeakPolarHBondContact O-CA 3.4Å; D186-E338 WeakPolarHBondContact O-CB 3.44Å; D186-T348 HydrophobicContact CB-CG2 3.43Å; D186-T348 VanDerWaalsContact CB-CG2 3.43Å; D186-T348 VanDerWaalsContact O-CG2 3.23Å; D186-T348 WeakPolarHBondContact O-CG2 3.16Å; D186-R352 VanDerWaalsContact CG-NH1 3.3Å; D186-R352 WeakPolarHBondContact OD1-CD 3.12Å; D186-R352 IonicContact OD1-CZ 2.73Å; D186-R352 IonicContact OD1-NE 2.83Å; D186-R352 PolarHBondContact OD1-NE 2.55Å; D186-R352 VanDerWaalsContact OD1-NE 3.11Å; D186-R352 IonicContact OD1-NH1 3.69Å; D186-R352 PolarHBondContact OD1-NH1 3.45Å; D186-R352 IonicContact OD1-NH2 2.79Å; D186-R352 WeakPolarHBondContact OD2-CD 3.49Å; D186-R352 IonicContact OD2-CZ 2.94Å; D186-R352 IonicContact OD2-NE 3.06Å; D186-R352 IonicContact OD2-NH1 3.72Å; D186-R352 PolarHBondContact OD2-NH1 2.92Å; D186-R352 VanDerWaalsContact OD2-NH1 3.12Å
187	V	92.6	Very high	92.6	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.127	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.3	-178	179.2	0	0	0	0	109.3	W276 C336 M337 E338 F366 C368	V187-W276 HydrophobicContact CG1-CH2 3.89Å; V187-W276 HydrophobicContact CG1-CZ2 4.27Å; V187-W276 HydrophobicContact CG2-CH2 4.11Å; V187-W276 HydrophobicContact CG2-CZ2 4.05Å; V187-C336 HydrophobicContact CG1-CB 3.94Å; V187-M337 CarbonylContact C-O 3.43Å; V187-M337 WeakPolarHBondContact CA-O 3.46Å; V187-E338 HydrophobicContact CG2-CB 4.15Å; V187-F366 CarbonylContact O-C 3.54Å; V187-F366 WeakPolarHBondContact O-CA 3.21Å; V187-F366 WeakPolarHBondContact O-CD1 3.36Å; V187-C368 HydrophobicContact CG1-CB 4.12Å
188	I	93.9	Very high	92.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.2	170.5	-59.9	172.4	0	0	0	108	F190 L196 C336 M337 I340 T348 A351 L364 F366	I188-F190 HydrophobicContact CB-CE2 3.95Å; I188-F190 HydrophobicContact CB-CZ 4.49Å; I188-F190 HydrophobicContact CG2-CD2 4.12Å; I188-F190 HydrophobicContact CG2-CE2 3.59Å; I188-F190 HydrophobicContact CG2-CZ 3.84Å; I188-L196 HydrophobicContact CD1-CD2 4.13Å; I188-C336 CarbonylContact O-C 3.53Å; I188-C336 WeakPolarHBondContact O-CA 3.47Å; I188-M337 PolarHBondContact N-O 2.8Å; I188-M337 PolarHBondContact O-N 2.9Å; I188-I340 HydrophobicContact CD1-CD1 4.38Å; I188-T348 HydrophobicContact CD1-CG2 4.07Å; I188-T348 HydrophobicContact CG1-CG2 4.14Å; I188-A351 HydrophobicContact CD1-CB 3.77Å; I188-L364 HydrophobicContact CG2-CD2 3.83Å; I188-F366 HydrophobicContact CG1-CD1 4.18Å; I188-F366 HydrophobicContact CG1-CE1 4.07Å
189	N	93.5	Very high	92	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126	174.5	-179.6	87.3	0	0	0	111	S365 S367	N189-S365 PolarHBondContact N-O 2.9Å; N189-S367 WeakPolarHBondContact CB-O 3.25Å
190	F	92.5	Very high	91.5	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129	175.6	-66.3	-91.9	0	0	0	109.5	I188 L196 F333 K334 G335 M337	I188-F190 HydrophobicContact CB-CE2 3.95Å; I188-F190 HydrophobicContact CB-CZ 4.49Å; I188-F190 HydrophobicContact CG2-CD2 4.12Å; I188-F190 HydrophobicContact CG2-CE2 3.59Å; I188-F190 HydrophobicContact CG2-CZ 3.84Å; F190-L196 HydrophobicContact CE1-CB 4.16Å; F190-L196 HydrophobicContact CZ-CB 4.39Å; F190-F333 HydrophobicContact CB-CD1 3.89Å; F190-F333 HydrophobicContact CB-CE1 4.42Å; F190-F333 WeakPolarHBondContact CB-O 3.39Å; F190-F333 HydrophobicContact CD2-CD1 4.27Å; F190-F333 HydrophobicContact CD2-CE1 4.4Å; F190-F333 HydrophobicContact CG-CD1 4.21Å; F190-K334 CarbonylContact O-C 3.58Å; F190-K334 WeakPolarHBondContact O-CA 3.18Å; F190-G335 PolarHBondContact N-O 2.94Å; F190-G335 PolarHBondContact O-N 3.19Å; F190-M337 HydrophobicContact CD2-CB 4.43Å; F190-M337 HydrophobicContact CD2-CE 4.28Å; F190-M337 HydrophobicContact CD2-CG 4Å; F190-M337 HydrophobicContact CD2-SD 4.26Å; F190-M337 HydrophobicContact CE2-CB 3.93Å; F190-M337 HydrophobicContact CE2-CE 4.24Å; F190-M337 HydrophobicContact CE2-CG 3.78Å; F190-M337 HydrophobicContact CE2-SD 3.74Å; F190-M337 HydrophobicContact CZ-SD 4.23Å
191	D	89.6	Confident	90.8	Very high	76 Å²	76	54.3 Å²	54.3	41%	0.406	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	11.3	-176.9	64.3	-3.2	0	0	0	113.2	H193 V194	D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact O-ND1 2.89Å; D191-H193 VanDerWaalsContact O-ND1 3.13Å; D191-H193 WeakPolarHBondContact OD1-CA 3.36Å; D191-H193 WeakPolarHBondContact OD1-CB 3.16Å; D191-H193 PolarHBondContact OD1-N 2.86Å; D191-V194 PolarHBondContact OD1-N 2.73Å
192	G	89	Confident	90	Very high	18 Å²	18	58 Å²	58	19%	0.186	27%	0.271	C	S	.	.	S	Bend	trans	79.7	-9.9	-173.1	0	0	0	0	0	115	N332 F333	G192-N332 WeakPolarHBondContact O-CB 3.06Å; G192-N332 PolarHBondContact O-ND2 2.61Å; G192-F333 WeakPolarHBondContact CA-O 3.34Å; G192-F333 PolarHBondContact N-O 3.3Å
193	H	86.8	Confident	89.1	Confident	130 Å²	130	62.8 Å²	62.8	60%	0.602	28%	0.282	S	S	*	.	S	Bend	trans	-104.8	-31.8	179.5	-60.1	81.4	0	0	0	112	D191 N360	D191-H193 PolarHBondContact O-N 3.39Å; D191-H193 PolarHBondContact O-ND1 2.89Å; D191-H193 VanDerWaalsContact O-ND1 3.13Å; D191-H193 WeakPolarHBondContact OD1-CA 3.36Å; D191-H193 WeakPolarHBondContact OD1-CB 3.16Å; D191-H193 PolarHBondContact OD1-N 2.86Å; H193-N360 PolarHBondContact O-ND2 2.79Å
194	V	84.6	Confident	88.3	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.079	30%	0.295	C	S	.	.			trans	-85.3	128.1	179.2	180	0	0	0	0	111	D191 P358 L364	D191-V194 PolarHBondContact OD1-N 2.73Å; V194-P358 HydrophobicContact CG1-CB 3.85Å; V194-L364 HydrophobicContact CG1-CD2 3.65Å; V194-L364 HydrophobicContact CG1-CG 4.48Å
195	V	90.1	Very high	88.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	27%	0.273	C	S	.	.			trans	-117.1	136.1	169.2	-179	0	0	0	0	108.5	P197 T315 G318 P320 S359	V195-P197 VanDerWaalsContact O-CD 3.28Å; V195-P197 WeakPolarHBondContact O-CD 3.37Å; V195-T315 HydrophobicContact CG1-CG2 4.14Å; V195-G318 WeakPolarHBondContact CG1-O 3.49Å; V195-P320 HydrophobicContact CG1-CG 4.36Å; V195-S359 PolarHBondContact N-OG 2.88Å; V195-S359 PolarHBondContact O-N 3.35Å; V195-S359 PolarHBondContact O-OG 2.9Å
196	L	91.9	Very high	88.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	101.9	-178.1	-176.8	72.5	0	0	0	110.4	I188 F190 T315 F316 I347 A351 L356 L364	I188-L196 HydrophobicContact CD1-CD2 4.13Å; F190-L196 HydrophobicContact CE1-CB 4.16Å; F190-L196 HydrophobicContact CZ-CB 4.39Å; L196-T315 WeakPolarHBondContact O-CA 3.34Å; L196-F316 HydrophobicContact CB-CB 4.4Å; L196-F316 PolarHBondContact N-O 2.89Å; L196-F316 PolarHBondContact O-N 3.36Å; L196-I347 HydrophobicContact CD2-CG2 3.88Å; L196-A351 HydrophobicContact CD1-CB 4.19Å; L196-A351 HydrophobicContact CD2-CB 4.03Å; L196-L356 HydrophobicContact CD1-CB 3.99Å; L196-L356 HydrophobicContact CD1-CD1 4.33Å; L196-L356 HydrophobicContact CD2-CD1 4.41Å; L196-L356 HydrophobicContact CG-CD1 4.43Å; L196-L364 HydrophobicContact CD1-CD1 3.91Å
197	P	92.1	Very high	88.4	Confident	16 Å²	16	64.1 Å²	64.1	10%	0.104	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.7	176.7	32.2	-33.3	0	0	0	111.6	V195 T315 E357	V195-P197 VanDerWaalsContact O-CD 3.28Å; V195-P197 WeakPolarHBondContact O-CD 3.37Å; P197-T315 HydrophobicContact CB-CG2 4.2Å; P197-E357 WeakPolarHBondContact CD-O 3.35Å; P197-E357 VanDerWaalsContact CG-O 3.24Å; P197-E357 WeakPolarHBondContact CG-O 3.26Å
198	Y	92.1	Very high	88.5	Confident	35 Å²	35	66.4 Å²	66.4	14%	0.137	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	104.8	165	175.8	-114.6	0	0	0	109.3	F200 E313 I314 Y342 V345 I347 L350 L356	Y198-F200 HydrophobicContact CD1-CD1 4.02Å; Y198-F200 AromaticContact CD1-CE1 3.89Å; Y198-F200 HydrophobicContact CD1-CE1 3.89Å; Y198-F200 AromaticContact CE1-CD1 3.82Å; Y198-F200 HydrophobicContact CE1-CD1 3.82Å; Y198-F200 AromaticContact CE1-CE1 3.99Å; Y198-F200 HydrophobicContact CE1-CE1 3.99Å; Y198-E313 VanDerWaalsContact O-CA 3.31Å; Y198-E313 WeakPolarHBondContact O-CA 3.28Å; Y198-I314 HydrophobicContact CD1-CG2 3.83Å; Y198-I314 HydrophobicContact CG-CG2 4.41Å; Y198-I314 PolarHBondContact N-O 2.76Å; Y198-I314 PolarHBondContact O-N 2.87Å; Y198-Y342 HydrophobicContact CD1-CD1 4.07Å; Y198-Y342 AromaticContact CE1-CD1 3.79Å; Y198-Y342 HydrophobicContact CE1-CD1 3.79Å; Y198-Y342 HydrophobicContact CE1-CE1 4.25Å; Y198-V345 HydrophobicContact CE2-CG1 4.2Å; Y198-I347 HydrophobicContact CD1-CD1 3.93Å; Y198-I347 HydrophobicContact CD2-CD1 3.57Å; Y198-I347 HydrophobicContact CE1-CD1 4.22Å; Y198-I347 HydrophobicContact CE2-CD1 3.89Å; Y198-I347 HydrophobicContact CG-CD1 3.59Å; Y198-L350 HydrophobicContact CD2-CD1 4.36Å; Y198-L350 HydrophobicContact CE2-CD1 3.97Å; Y198-L356 HydrophobicContact CD2-CD2 4Å
199	R	90.4	Very high	88.6	Confident	154 Å²	154	72.7 Å²	72.7	58%	0.581	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.9	178.6	-68	-177.6	178.5	160.4	3.2	111.2	Y312 E313	R199-Y312 CarbonylContact C-O 3.56Å; R199-Y312 VanDerWaalsContact CA-O 3.31Å; R199-Y312 WeakPolarHBondContact CA-O 3.07Å; R199-Y312 HydrophobicContact CG-CD2 4.29Å; R199-E313 HydrophobicContact CG-CB 4.03Å; R199-E313 IonicContact NE-OE2 3.47Å; R199-E313 PolarHBondContact NE-OE2 3.45Å
200	F	88.6	Confident	88.8	Confident	15 Å²	15	71.4 Å²	71.4	7%	0.066	32%	0.323	C	S	.	.			trans	-72.7	150.1	176.4	-52.3	-49.2	0	0	0	111.1	Y198 N202 M205 L310 D311 Y312 I314 Y342	Y198-F200 HydrophobicContact CD1-CD1 4.02Å; Y198-F200 AromaticContact CD1-CE1 3.89Å; Y198-F200 HydrophobicContact CD1-CE1 3.89Å; Y198-F200 AromaticContact CE1-CD1 3.82Å; Y198-F200 HydrophobicContact CE1-CD1 3.82Å; Y198-F200 AromaticContact CE1-CE1 3.99Å; Y198-F200 HydrophobicContact CE1-CE1 3.99Å; F200-N202 VanDerWaalsContact C-N 3.25Å; F200-N202 WeakPolarHBondContact CB-O 3.48Å; F200-N202 PolarHBondContact O-N 3.35Å; F200-M205 HydrophobicContact CB-CE 3.82Å; F200-M205 HydrophobicContact CD1-CE 3.56Å; F200-M205 HydrophobicContact CD2-CB 3.55Å; F200-M205 HydrophobicContact CD2-CE 4.31Å; F200-M205 HydrophobicContact CD2-CG 4.44Å; F200-M205 HydrophobicContact CE1-CE 4.18Å; F200-M205 HydrophobicContact CE2-CB 3.61Å; F200-M205 HydrophobicContact CE2-CG 4.36Å; F200-M205 HydrophobicContact CG-CB 4.07Å; F200-M205 HydrophobicContact CG-CE 3.62Å; F200-M205 HydrophobicContact CZ-CB 4.17Å; F200-M205 HydrophobicContact CZ-CG 4.44Å; F200-L310 HydrophobicContact CE2-CB 4.04Å; F200-L310 HydrophobicContact CE2-CD1 4.49Å; F200-L310 HydrophobicContact CZ-CD1 4.21Å; F200-D311 WeakPolarHBondContact CD2-O 3.49Å; F200-D311 WeakPolarHBondContact CE2-O 3.47Å; F200-Y312 VanDerWaalsContact CD2-C 3.47Å; F200-Y312 PolarHBondContact N-O 3.24Å; F200-I314 HydrophobicContact CE1-CB 4.36Å; F200-I314 HydrophobicContact CE1-CG2 3.82Å; F200-I314 HydrophobicContact CZ-CB 3.87Å; F200-I314 HydrophobicContact CZ-CG2 3.87Å; F200-Y342 HydrophobicContact CD1-CE1 4.37Å; F200-Y342 HydrophobicContact CE1-CD1 4.35Å; F200-Y342 AromaticContact CE1-CE1 3.57Å; F200-Y342 HydrophobicContact CE1-CE1 3.57Å; F200-Y342 AromaticContact CE1-CZ 3.98Å; F200-Y342 HydrophobicContact CZ-CE1 4.35Å
201	R	82.7	Confident	89.1	Confident	250 Å²	250	74.2 Å²	74.2	94%	0.943	34%	0.34	S	S	*	.	S	Bend	trans	-63.2	-35.6	174.3	-68.5	-173.4	-179.4	-162.7	1.6	112
202	N	80.1	Confident	89.5	Confident	113 Å²	113	70.8 Å²	70.8	60%	0.604	32%	0.322	S	S	*	.	S	Bend	trans	-92	140.2	174.7	-65.3	-13.1	0	0	0	108.8	F200 K204	F200-N202 VanDerWaalsContact C-N 3.25Å; F200-N202 WeakPolarHBondContact CB-O 3.48Å; F200-N202 PolarHBondContact O-N 3.35Å; N202-K204 WeakPolarHBondContact CB-O 3.42Å; N202-K204 PolarHBondContact O-N 2.86Å
203	K	76.1	Confident	89.9	Confident	188 Å²	188	71 Å²	71	82%	0.817	32%	0.322	S	S	*	.	S	Bend	trans	-61.5	-13.9	-179.7	-68.7	-174	177.8	-177.6	0	114.4	Y312	K203-Y312 WeakPolarHBondContact O-CB 3.19Å; K203-Y312 PolarHBondContact O-N 3.3Å
204	K	78.6	Confident	90.5	Very high	102 Å²	102	65 Å²	65	44%	0.443	29%	0.294	S	S	.	.	S	Bend	trans	-139.4	142.5	172.7	-63.7	-165.5	172.2	-153.4	0	108.4	N202 Q231	N202-K204 WeakPolarHBondContact CB-O 3.42Å; N202-K204 PolarHBondContact O-N 2.86Å; K204-Q231 VanDerWaalsContact NZ-OE1 3.08Å
205	M	86.3	Confident	91.1	Very high	44 Å²	44	65.3 Å²	65.3	22%	0.217	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	174.4	-174.5	62.4	71.9	0	0	109.2	F200 T207 D309 L310	F200-M205 HydrophobicContact CB-CE 3.82Å; F200-M205 HydrophobicContact CD1-CE 3.56Å; F200-M205 HydrophobicContact CD2-CB 3.55Å; F200-M205 HydrophobicContact CD2-CE 4.31Å; F200-M205 HydrophobicContact CD2-CG 4.44Å; F200-M205 HydrophobicContact CE1-CE 4.18Å; F200-M205 HydrophobicContact CE2-CB 3.61Å; F200-M205 HydrophobicContact CE2-CG 4.36Å; F200-M205 HydrophobicContact CG-CB 4.07Å; F200-M205 HydrophobicContact CG-CE 3.62Å; F200-M205 HydrophobicContact CZ-CB 4.17Å; F200-M205 HydrophobicContact CZ-CG 4.44Å; M205-T207 HydrophobicContact CG-CG2 3.81Å; M205-T207 HydrophobicContact SD-CG2 3.91Å; M205-D309 CarbonylContact O-C 3.54Å; M205-D309 WeakPolarHBondContact O-CA 3.43Å; M205-L310 HydrophobicContact CB-CB 4.46Å; M205-L310 PolarHBondContact N-O 3.17Å; M205-L310 PolarHBondContact O-N 3.49Å
206	K	90.8	Very high	91.5	Very high	124 Å²	124	65.2 Å²	65.2	54%	0.539	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	106.9	177.3	172.8	157.9	-165.6	154.5	0	108.6	Y307 D309	K206-Y307 HydrophobicContact CD-CD1 3.92Å; K206-Y307 HydrophobicContact CD-CE1 4.38Å; K206-Y307 HydrophobicContact CD-CG 4.37Å; K206-Y307 HydrophobicContact CG-CD1 3.43Å; K206-Y307 VanDerWaalsContact CG-CD1 3.43Å; K206-Y307 HydrophobicContact CG-CE1 4.08Å; K206-Y307 HydrophobicContact CG-CG 4.13Å; K206-D309 VanDerWaalsContact CB-OD1 3.27Å; K206-D309 WeakPolarHBondContact CB-OD1 3.5Å; K206-D309 WeakPolarHBondContact CD-OD1 3.32Å; K206-D309 WeakPolarHBondContact CG-OD1 3.35Å; K206-D309 IonicContact NZ-OD1 3.05Å; K206-D309 IonicContact NZ-OD2 2.74Å
207	T	93.5	Very high	91.7	Very high	15 Å²	15	65.7 Å²	65.7	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.1	-174.6	49.6	0	0	0	0	112.1	M205 D210 Y307 L308	M205-T207 HydrophobicContact CG-CG2 3.81Å; M205-T207 HydrophobicContact SD-CG2 3.91Å; T207-D210 WeakPolarHBondContact CB-OD1 3.24Å; T207-D210 WeakPolarHBondContact CB-OD2 3.12Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-OD1 3.33Å; T207-D210 VanDerWaalsContact OG1-OD1 3.06Å; T207-D210 PolarHBondContact OG1-OD2 3.49Å; T207-Y307 WeakPolarHBondContact O-CA 3.42Å; T207-L308 PolarHBondContact N-O 2.97Å; T207-L308 VanDerWaalsContact N-O 3.13Å; T207-L308 PolarHBondContact O-N 3.3Å
208	L	95.1	Very high	91.9	Very high	68 Å²	68	65 Å²	65	36%	0.356	29%	0.293	S	S	.	.	S	Bend	trans	-89.6	-20.3	164.9	-79.5	174.6	0	0	0	112.4	G285 D306 Y307	L208-G285 PolarHBondContact O-N 3.13Å; L208-D306 HydrophobicContact CD2-CB 3.9Å; L208-Y307 HydrophobicContact CD1-CE1 3.8Å; L208-Y307 WeakPolarHBondContact CD1-OH 3.48Å; L208-Y307 HydrophobicContact CD2-CD1 3.67Å; L208-Y307 HydrophobicContact CD2-CD2 3.68Å; L208-Y307 HydrophobicContact CD2-CE1 3.55Å; L208-Y307 HydrophobicContact CD2-CE2 3.49Å; L208-Y307 VanDerWaalsContact CD2-CE2 3.49Å; L208-Y307 HydrophobicContact CD2-CG 3.77Å; L208-Y307 VanDerWaalsContact CD2-CZ 3.42Å; L208-Y307 HydrophobicContact CG-CD1 3.64Å; L208-Y307 HydrophobicContact CG-CD2 4.49Å; L208-Y307 HydrophobicContact CG-CE1 3.27Å; L208-Y307 HydrophobicContact CG-CE2 4.13Å; L208-Y307 HydrophobicContact CG-CG 4.27Å
209	K	97	Very high	91.9	Very high	132 Å²	132	65.7 Å²	65.7	57%	0.574	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	134	-175.2	-53.7	-170.8	-174	-137.6	0	108.5	R283	K209-R283 VanDerWaalsContact CA-O 3.22Å; K209-R283 WeakPolarHBondContact CA-O 3.35Å
210	D	97.1	Very high	92.1	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.7	175.5	-64	-79.1	0	0	0	110	T207 R283 Y342 N343	T207-D210 WeakPolarHBondContact CB-OD1 3.24Å; T207-D210 WeakPolarHBondContact CB-OD2 3.12Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-OD1 3.33Å; T207-D210 VanDerWaalsContact OG1-OD1 3.06Å; T207-D210 PolarHBondContact OG1-OD2 3.49Å; D210-R283 HydrophobicContact CB-CB 4.23Å; D210-R283 PolarHBondContact N-O 3Å; D210-R283 VanDerWaalsContact N-O 3.11Å; D210-R283 PolarHBondContact O-N 2.78Å; D210-R283 IonicContact OD2-NE 2.91Å; D210-Y342 PolarHBondContact OD1-OH 3.34Å; D210-N343 WeakPolarHBondContact CA-OD1 3.45Å; D210-N343 PolarHBondContact OD1-ND2 2.94Å
211	V	98.2	Very high	92.4	Very high	61 Å²	61	62.8 Å²	62.8	37%	0.37	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108.7	170.9	-179.5	0	0	0	0	107.4	I281 N343	V211-I281 WeakPolarHBondContact CA-O 3.14Å; V211-N343 PolarHBondContact N-OD1 2.81Å; V211-N343 PolarHBondContact O-N 2.88Å; V211-N343 PolarHBondContact O-OD1 2.97Å
212	I	98.3	Very high	93	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.4	179.3	-45.7	-177	0	0	0	107.6	L226 I236 V280 I281 I314 N341 Y342	I212-L226 HydrophobicContact CG2-CD2 3.94Å; I212-I236 HydrophobicContact CD1-CD1 3.84Å; I212-V280 CarbonylContact O-C 3.48Å; I212-V280 WeakPolarHBondContact O-CA 3.48Å; I212-I281 HydrophobicContact CB-CB 4.25Å; I212-I281 PolarHBondContact N-O 2.76Å; I212-I281 PolarHBondContact O-N 2.05Å; I212-I314 HydrophobicContact CD1-CD1 4.5Å; I212-N341 WeakPolarHBondContact CA-O 3.38Å; I212-Y342 HydrophobicContact CD1-CD2 4.03Å; I212-Y342 HydrophobicContact CD1-CE2 4.11Å; I212-Y342 HydrophobicContact CG1-CD2 3.88Å; I212-Y342 HydrophobicContact CG1-CE2 4.24Å
213	A	98.5	Very high	93.8	Very high	24 Å²	24	49.4 Å²	49.4	20%	0.198	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.1	177.8	0	0	0	0	0	110	V279 V280 S339 I340 N341	A213-V279 CarbonylContact C-O 2.99Å; A213-V279 VanDerWaalsContact CA-O 3.26Å; A213-V279 WeakPolarHBondContact CA-O 3.3Å; A213-V280 HydrophobicContact CB-CG1 4.48Å; A213-V280 HydrophobicContact CB-CG2 4.23Å; A213-S339 VanDerWaalsContact O-O 3.09Å; A213-I340 CarbonylContact O-C 3.58Å; A213-I340 WeakPolarHBondContact O-CA 3.39Å; A213-N341 HydrophobicContact CB-CB 4.42Å; A213-N341 PolarHBondContact N-O 3.15Å; A213-N341 PolarHBondContact O-N 3.41Å
214	L	98.3	Very high	94.8	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	157.8	172.5	60.4	88.8	0	0	0	109.3	F216 I225 L226 V279 F316 I340	L214-F216 HydrophobicContact CD1-CB 4.15Å; L214-F216 HydrophobicContact CD1-CD1 4.04Å; L214-I225 HydrophobicContact CD1-CG2 3.96Å; L214-I225 HydrophobicContact CD2-CG2 3.72Å; L214-L226 HydrophobicContact CD2-CD2 4.13Å; L214-V279 HydrophobicContact CD1-CB 4.36Å; L214-V279 HydrophobicContact CD1-CG2 4.46Å; L214-V279 PolarHBondContact N-O 3Å; L214-V279 PolarHBondContact O-N 3.48Å; L214-F316 HydrophobicContact CD2-CD1 4.44Å; L214-F316 HydrophobicContact CD2-CE1 4.49Å; L214-I340 HydrophobicContact CB-CB 4.43Å; L214-I340 HydrophobicContact CB-CG1 4.1Å
215	N	97.8	Very high	95.7	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.102	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.7	164.1	-54.1	-27.7	0	0	0	108.7	W276 H277 S278 M337 E338	N215-W276 HydrophobicContact CB-CE3 4.04Å; N215-W276 HydrophobicContact CB-CZ3 4.49Å; N215-H277 CarbonylContact C-O 3.54Å; N215-H277 WeakPolarHBondContact CA-O 3.35Å; N215-H277 WeakPolarHBondContact CB-O 3.25Å; N215-S278 VanDerWaalsContact OD1-CA 3.29Å; N215-S278 WeakPolarHBondContact OD1-CA 3.44Å; N215-S278 VanDerWaalsContact OD1-CB 3.23Å; N215-S278 WeakPolarHBondContact OD1-CB 3.4Å; N215-S278 PolarHBondContact OD1-OG 2.97Å; N215-M337 CarbonylContact O-C 3.56Å; N215-M337 WeakPolarHBondContact O-CA 3.42Å; N215-E338 HydrophobicContact CB-CG 3.7Å; N215-E338 PolarHBondContact N-O 2.82Å; N215-E338 PolarHBondContact ND2-OE1 3.2Å; N215-E338 PolarHBondContact O-N 3.19Å
216	F	97.9	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.7	177.5	75.3	-90.2	0	0	0	111.8	L214 T218 I225 L240 L245 L271 W276 H277 V279 L292 F333 C336 M337	L214-F216 HydrophobicContact CD1-CB 4.15Å; L214-F216 HydrophobicContact CD1-CD1 4.04Å; F216-T218 HydrophobicContact CD2-CG2 4.3Å; F216-T218 HydrophobicContact CE2-CG2 4.31Å; F216-I225 HydrophobicContact CD1-CD1 3.95Å; F216-I225 HydrophobicContact CD2-CD1 4.37Å; F216-I225 HydrophobicContact CE1-CD1 4.07Å; F216-I225 HydrophobicContact CE2-CD1 4.5Å; F216-I225 HydrophobicContact CG-CD1 4.11Å; F216-I225 HydrophobicContact CZ-CD1 4.35Å; F216-L240 HydrophobicContact CD2-CD1 4.45Å; F216-L240 HydrophobicContact CE2-CD1 3.93Å; F216-L240 HydrophobicContact CE2-CD2 4.13Å; F216-L240 HydrophobicContact CE2-CG 4.47Å; F216-L240 HydrophobicContact CZ-CD2 4.03Å; F216-L245 HydrophobicContact CE1-CD1 4.3Å; F216-L271 HydrophobicContact CE2-CB 4.3Å; F216-L271 HydrophobicContact CZ-CB 4.2Å; F216-L271 HydrophobicContact CZ-CD1 4.19Å; F216-W276 CarbonylContact O-C 3.58Å; F216-W276 WeakPolarHBondContact O-CA 3.37Å; F216-H277 HydrophobicContact CD1-CB 4.25Å; F216-H277 HydrophobicContact CE1-CB 3.78Å; F216-H277 HydrophobicContact CE2-CB 4.26Å; F216-H277 HydrophobicContact CZ-CB 3.78Å; F216-H277 PolarHBondContact N-O 3.12Å; F216-H277 PolarHBondContact O-N 2.99Å; F216-V279 HydrophobicContact CD1-CG2 3.91Å; F216-V279 HydrophobicContact CE1-CG2 3.63Å; F216-L292 HydrophobicContact CE1-CD1 4.42Å; F216-F333 HydrophobicContact CB-CE2 4.26Å; F216-F333 HydrophobicContact CB-CZ 3.91Å; F216-F333 AromaticContact CD2-CE2 3.91Å; F216-F333 HydrophobicContact CD2-CE2 3.91Å; F216-F333 HydrophobicContact CD2-CZ 4.19Å; F216-F333 HydrophobicContact CG-CE2 4.37Å; F216-F333 HydrophobicContact CG-CZ 4.46Å; F216-C336 CarbonylContact C-O 3.5Å; F216-C336 VanDerWaalsContact CA-O 3.24Å; F216-C336 WeakPolarHBondContact CA-O 3.32Å; F216-M337 HydrophobicContact CB-CG 4.15Å
217	K	96.1	Very high	96.4	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	127.4	177.6	-179.3	170.8	89	136.4	0	109.6	H274 H275 W276 G335 C336 C368 E370	K217-H274 VanDerWaalsContact CD-O 3.28Å; K217-H274 WeakPolarHBondContact CD-O 3.49Å; K217-H274 VanDerWaalsContact CG-C 3.5Å; K217-H274 WeakPolarHBondContact CG-O 3.46Å; K217-H274 PolarHBondContact NZ-NE2 3Å; K217-H274 VanDerWaalsContact NZ-NE2 3.15Å; K217-H275 WeakPolarHBondContact CA-O 3.36Å; K217-H275 WeakPolarHBondContact CG-O 3.35Å; K217-W276 HydrophobicContact CB-CD2 3.89Å; K217-W276 HydrophobicContact CB-CE3 3.74Å; K217-W276 HydrophobicContact CB-CG 4.44Å; K217-W276 HydrophobicContact CB-CH2 4.41Å; K217-W276 HydrophobicContact CB-CZ3 4.01Å; K217-W276 HydrophobicContact CD-CD2 4.22Å; K217-W276 HydrophobicContact CD-CG 4.33Å; K217-G335 CarbonylContact O-C 3.58Å; K217-G335 VanDerWaalsContact O-CA 3.28Å; K217-G335 WeakPolarHBondContact O-CA 3.47Å; K217-C336 HydrophobicContact CB-CB 4.45Å; K217-C336 PolarHBondContact N-O 2.98Å; K217-C336 PolarHBondContact O-N 3.24Å; K217-C368 WeakPolarHBondContact CE-SG 3.33Å; K217-E370 IonicContact NZ-OE2 2.85Å; K217-E370 PolarHBondContact NZ-OE2 3.3Å
218	T	95.9	Very high	96.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.15	C	C	.	.			trans	-155.2	160.7	-179.2	-174	0	0	0	0	112.9	F216 E220 L240 D272 H274 F333 K334	F216-T218 HydrophobicContact CD2-CG2 4.3Å; F216-T218 HydrophobicContact CE2-CG2 4.31Å; T218-E220 PolarHBondContact OG1-N 3.16Å; T218-L240 HydrophobicContact CG2-CD1 3.55Å; T218-D272 CarbonylContact O-C 3.58Å; T218-D272 VanDerWaalsContact O-C 3.29Å; T218-D272 WeakPolarHBondContact O-CA 3.42Å; T218-H274 WeakPolarHBondContact O-CA 3.38Å; T218-H274 PolarHBondContact O-N 3.46Å; T218-F333 HydrophobicContact CG2-CE2 4Å; T218-K334 WeakPolarHBondContact CB-O 3.44Å; T218-K334 PolarHBondContact OG1-O 2.83Å
219	S	93.2	Very high	96.2	Very high	50 Å²	50	30 Å²	30	35%	0.35	16%	0.158	S	C	.	.	S	Bend	trans	-107.1	3.9	166.9	-47	0	0	0	0	112.6	H274	S219-H274 WeakPolarHBondContact OG-CB 3.47Å
220	E	94.4	Very high	95.7	Very high	72 Å²	72	23.8 Å²	23.8	34%	0.336	13%	0.131	S	C	.	.			trans	-97.9	136.7	-178.3	-57.1	-72.1	165.5	0	0	109.9	T218 E222 K334	T218-E220 PolarHBondContact OG1-N 3.16Å; E220-E222 VanDerWaalsContact C-N 3.28Å; E220-E222 PolarHBondContact O-N 3.1Å; E220-K334 HydrophobicContact CG-CB 4.13Å; E220-K334 HydrophobicContact CG-CD 4.14Å; E220-K334 HydrophobicContact CG-CG 4.34Å; E220-K334 WeakPolarHBondContact OE1-CE 3.29Å; E220-K334 IonicContact OE1-NZ 2.75Å; E220-K334 PolarHBondContact OE1-NZ 3.24Å
221	S	94.9	Very high	95	Very high	36 Å²	36	30.5 Å²	30.5	25%	0.252	16%	0.163	S	C	.	.	S	Bend	trans	-81.6	-7.4	-179.5	62.6	0	0	0	0	113.5	K241 K242 A243	S221-K241 CarbonylContact O-C 3.47Å; S221-K242 PolarHBondContact O-N 2.87Å; S221-A243 PolarHBondContact O-N 2.86Å
222	E	95.9	Very high	94	Very high	78 Å²	78	32.5 Å²	32.5	36%	0.364	17%	0.168	S	C	.	.			trans	-138.1	142.5	-178.1	-63.1	-176.6	147.4	0	0	111.6	E220 L240 K331	E220-E222 VanDerWaalsContact C-N 3.28Å; E220-E222 PolarHBondContact O-N 3.1Å; E222-L240 VanDerWaalsContact CA-O 3.31Å; E222-L240 WeakPolarHBondContact CA-O 3.37Å; E222-K331 HydrophobicContact CB-CD 4.3Å; E222-K331 WeakPolarHBondContact OE2-CE 3.26Å; E222-K331 IonicContact OE2-NZ 2.75Å; E222-K331 PolarHBondContact OE2-NZ 2.82Å
223	G	95.8	Very high	93.3	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	133	174.9	0	0	0	0	0	114	I225 E239 L240 K331	G223-I225 PolarHBondContact O-N 2.99Å; G223-E239 CarbonylContact O-C 3.29Å; G223-E239 WeakPolarHBondContact O-CA 3.01Å; G223-L240 PolarHBondContact N-O 2.86Å; G223-L240 VanDerWaalsContact N-O 3.16Å; G223-L240 PolarHBondContact O-N 3.36Å; G223-K331 CarbonylContact C-O 3.47Å; G223-K331 WeakPolarHBondContact CA-O 3.45Å
224	V	96.5	Very high	93	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.4	174.5	179	0	0	0	0	110.3	H227 T237 E239 G317 G318 I319 R330 K331 F333	V224-H227 HydrophobicContact CG1-CB 4.14Å; V224-T237 HydrophobicContact CG1-CG2 4.28Å; V224-E239 HydrophobicContact CG2-CB 4.22Å; V224-G317 CarbonylContact O-C 3.56Å; V224-G318 WeakPolarHBondContact O-CA 3.26Å; V224-G318 PolarHBondContact O-N 3.36Å; V224-G318 VanDerWaalsContact O-N 3.16Å; V224-I319 HydrophobicContact CB-CG1 4.38Å; V224-I319 HydrophobicContact CG1-CD1 4.42Å; V224-I319 HydrophobicContact CG1-CG1 3.89Å; V224-I319 HydrophobicContact CG2-CD1 4.24Å; V224-I319 HydrophobicContact CG2-CG1 4.3Å; V224-R330 HydrophobicContact CG2-CB 4.12Å; V224-K331 PolarHBondContact N-O 3.39Å; V224-F333 WeakPolarHBondContact O-CB 3.34Å; V224-F333 PolarHBondContact O-N 2.91Å
225	I	97.4	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-48.1	-178.5	-69.2	171.2	0	0	0	110.8	L214 F216 G223 L238 L240 L245 F316 G317 F333 M337	L214-I225 HydrophobicContact CD1-CG2 3.96Å; L214-I225 HydrophobicContact CD2-CG2 3.72Å; F216-I225 HydrophobicContact CD1-CD1 3.95Å; F216-I225 HydrophobicContact CD2-CD1 4.37Å; F216-I225 HydrophobicContact CE1-CD1 4.07Å; F216-I225 HydrophobicContact CE2-CD1 4.5Å; F216-I225 HydrophobicContact CG-CD1 4.11Å; F216-I225 HydrophobicContact CZ-CD1 4.35Å; G223-I225 PolarHBondContact O-N 2.99Å; I225-L238 WeakPolarHBondContact CA-O 3.32Å; I225-L238 HydrophobicContact CB-CB 4.48Å; I225-L238 HydrophobicContact CB-CD2 4.35Å; I225-L238 HydrophobicContact CB-CG 4.47Å; I225-L238 WeakPolarHBondContact CB-O 3.28Å; I225-L238 HydrophobicContact CD1-CD2 4.5Å; I225-L238 HydrophobicContact CG2-CD2 4.01Å; I225-L238 PolarHBondContact N-O 2.92Å; I225-L240 HydrophobicContact CD1-CD1 4.45Å; I225-L240 HydrophobicContact CD1-CG 4.08Å; I225-L245 HydrophobicContact CD1-CD1 3.76Å; I225-F316 CarbonylContact O-C 3.58Å; I225-F316 WeakPolarHBondContact O-CA 3.43Å; I225-G317 PolarHBondContact O-N 3.01Å; I225-F333 HydrophobicContact CD1-CD2 4.45Å; I225-F333 HydrophobicContact CD1-CE2 4.48Å; I225-F333 HydrophobicContact CG1-CD2 3.65Å; I225-F333 HydrophobicContact CG1-CE2 4.1Å; I225-F333 HydrophobicContact CG1-CG 4.3Å; I225-M337 HydrophobicContact CB-CE 4.16Å; I225-M337 HydrophobicContact CG1-CE 4.29Å; I225-M337 HydrophobicContact CG2-CE 3.72Å; I225-M337 HydrophobicContact CG2-SD 4.23Å
226	L	96.7	Very high	92.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.6	174	76	94	0	0	0	111.4	I212 L214 I236 T237 L238 I314 T315 F316	I212-L226 HydrophobicContact CG2-CD2 3.94Å; L214-L226 HydrophobicContact CD2-CD2 4.13Å; L226-I236 HydrophobicContact CD1-CG1 4.41Å; L226-I236 HydrophobicContact CD1-CG2 4.39Å; L226-T237 WeakPolarHBondContact O-CA 3.28Å; L226-L238 HydrophobicContact CD1-CB 4.39Å; L226-L238 HydrophobicContact CD2-CB 3.74Å; L226-L238 HydrophobicContact CD2-CD2 3.89Å; L226-L238 HydrophobicContact CD2-CG 4.5Å; L226-L238 HydrophobicContact CG-CB 3.6Å; L226-L238 PolarHBondContact N-O 3.08Å; L226-L238 VanDerWaalsContact N-O 3.12Å; L226-L238 PolarHBondContact O-N 2.7Å; L226-I314 HydrophobicContact CD1-CD1 4.21Å; L226-T315 CarbonylContact C-O 3.53Å; L226-T315 WeakPolarHBondContact CA-O 3.35Å; L226-F316 HydrophobicContact CB-CD1 3.82Å; L226-F316 HydrophobicContact CB-CE1 4.03Å; L226-F316 HydrophobicContact CD2-CE1 4.46Å
227	H	95.5	Very high	92.6	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.088	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.9	178.3	-178.3	70.1	0	0	0	111.2	V224 E229 I236 T237 I314 T315 I319	V224-H227 HydrophobicContact CG1-CB 4.14Å; H227-E229 IonicContact NE2-OE2 3.84Å; H227-I236 CarbonylContact C-O 3.57Å; H227-I236 WeakPolarHBondContact CA-O 2.99Å; H227-T237 PolarHBondContact ND1-OG1 2.89Å; H227-I314 WeakPolarHBondContact O-CG1 3.41Å; H227-T315 PolarHBondContact N-O 3.26Å; H227-T315 PolarHBondContact O-N 3.08Å; H227-T315 PolarHBondContact O-OG1 2.82Å; H227-I319 HydrophobicContact CB-CG1 3.98Å
228	G	93.5	Very high	92.7	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	137.9	168.6	0	0	0	0	0	108.8	Y235 I236	G228-Y235 CarbonylContact O-C 3.57Å; G228-Y235 WeakPolarHBondContact O-CA 3.38Å; G228-Y235 VanDerWaalsContact O-CB 3.26Å; G228-Y235 WeakPolarHBondContact O-CB 3.46Å; G228-I236 PolarHBondContact N-O 2.92Å; G228-I236 PolarHBondContact O-N 2.9Å
229	E	90.9	Very high	92.8	Very high	111 Å²	111	34.3 Å²	34.3	52%	0.519	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.1	-179.8	-176	176.3	-178.1	0	0	109.2	H227 D234 D311	H227-E229 IonicContact NE2-OE2 3.84Å; E229-D234 CarbonylContact C-O 3.56Å; E229-D234 WeakPolarHBondContact CA-O 3.08Å; E229-D311 WeakPolarHBondContact O-CB 3.38Å; E229-D311 PolarHBondContact O-N 3Å
230	G	87.7	Confident	93	Very high	2 Å²	2	32 Å²	32	2%	0.021	16%	0.163	C	C	.	.			trans	-119.8	151.5	173.1	0	0	0	0	0	111.8	Q232 G233 D234 D309 D311	G230-Q232 PolarHBondContact O-N 2.93Å; G230-G233 PolarHBondContact O-N 2.97Å; G230-D234 PolarHBondContact N-O 2.77Å; G230-D309 WeakPolarHBondContact CA-O 3.39Å; G230-D311 WeakPolarHBondContact CA-OD1 3.37Å
231	Q	81.2	Confident	93	Very high	145 Å²	145	32.9 Å²	32.9	68%	0.678	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.5	177.7	-76.6	168.9	-0.6	0	0	115	K204 G233 D311	K204-Q231 VanDerWaalsContact NZ-OE1 3.08Å; Q231-G233 VanDerWaalsContact C-N 3.29Å; Q231-D311 WeakPolarHBondContact CG-OD1 3.08Å; Q231-D311 PolarHBondContact N-OD1 3.4Å
232	Q	77.6	Confident	93	Very high	102 Å²	102	37.2 Å²	37.2	48%	0.477	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.6	178.9	-65.1	95	-63	0	0	113.6	G230	G230-Q232 PolarHBondContact O-N 2.93Å
233	G	83.3	Confident	93	Very high	32 Å²	32	33.8 Å²	33.8	33%	0.33	16%	0.164	S	C	.	.	S	Bend	trans	90.7	1.7	-177.8	0	0	0	0	0	114	G230 Q231 Y235 N250	G230-G233 PolarHBondContact O-N 2.97Å; Q231-G233 VanDerWaalsContact C-N 3.29Å; G233-Y235 WeakPolarHBondContact O-CD1 3.4Å; G233-N250 PolarHBondContact O-ND2 2.87Å
234	D	91.7	Very high	93	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.032	17%	0.174	C	C	.	.			trans	-65.1	136.5	167.4	-72	41.5	0	0	0	109.6	E229 G230 N250 G252 L308 D309	E229-D234 CarbonylContact C-O 3.56Å; E229-D234 WeakPolarHBondContact CA-O 3.08Å; G230-D234 PolarHBondContact N-O 2.77Å; D234-N250 CarbonylContact C-O 3.52Å; D234-N250 VanDerWaalsContact CA-O 3.27Å; D234-N250 WeakPolarHBondContact CA-O 3.07Å; D234-G252 PolarHBondContact OD1-N 2.86Å; D234-L308 HydrophobicContact CB-CD1 4.38Å; D234-D309 HydrophobicContact CB-CB 4.48Å; D234-D309 VanDerWaalsContact CB-O 3.31Å; D234-D309 WeakPolarHBondContact CB-O 3.01Å; D234-D309 PolarHBondContact OD2-N 2.76Å
235	Y	93.6	Very high	93.1	Very high	52 Å²	52	36.1 Å²	36.1	20%	0.204	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	157.6	173.9	68.5	-93.4	0	0	0	111.9	G228 G233 L249 N250 H262	G228-Y235 CarbonylContact O-C 3.57Å; G228-Y235 WeakPolarHBondContact O-CA 3.38Å; G228-Y235 VanDerWaalsContact O-CB 3.26Å; G228-Y235 WeakPolarHBondContact O-CB 3.46Å; G233-Y235 WeakPolarHBondContact O-CD1 3.4Å; Y235-L249 CarbonylContact O-C 3.44Å; Y235-L249 WeakPolarHBondContact O-CA 3.25Å; Y235-L249 WeakPolarHBondContact O-CD1 3.37Å; Y235-N250 HydrophobicContact CD1-CB 3.7Å; Y235-N250 HydrophobicContact CE1-CB 3.53Å; Y235-N250 HydrophobicContact CG-CB 4.41Å; Y235-N250 PolarHBondContact N-O 2.67Å; Y235-N250 PolarHBondContact O-N 3.17Å; Y235-H262 AromaticContact CZ-ND1 3.75Å; Y235-H262 PolarHBondContact OH-CE1 3.12Å; Y235-H262 PolarHBondContact OH-ND1 2.9Å
236	I	95.8	Very high	93.1	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.8	168.5	-173.4	169.3	0	0	0	108.6	I212 L226 H227 G228 L247 S248 L249 L308 L310	I212-I236 HydrophobicContact CD1-CD1 3.84Å; L226-I236 HydrophobicContact CD1-CG1 4.41Å; L226-I236 HydrophobicContact CD1-CG2 4.39Å; H227-I236 CarbonylContact C-O 3.57Å; H227-I236 WeakPolarHBondContact CA-O 2.99Å; G228-I236 PolarHBondContact N-O 2.92Å; G228-I236 PolarHBondContact O-N 2.9Å; I236-L247 HydrophobicContact CD1-CD1 4.31Å; I236-L247 HydrophobicContact CG1-CD1 3.97Å; I236-S248 CarbonylContact C-O 3.53Å; I236-S248 WeakPolarHBondContact CA-O 3.48Å; I236-L249 HydrophobicContact CB-CD1 3.8Å; I236-L249 HydrophobicContact CD1-CD1 4.2Å; I236-L249 HydrophobicContact CG1-CD1 4Å; I236-L308 HydrophobicContact CB-CD2 4.34Å; I236-L308 HydrophobicContact CG2-CD2 4.2Å; I236-L310 HydrophobicContact CG2-CD1 4.23Å; I236-L310 HydrophobicContact CG2-CD2 4.41Å
237	T	96.6	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.2	177	-55.4	0	0	0	0	109.4	V224 L226 H227 E239 L247 S248	V224-T237 HydrophobicContact CG1-CG2 4.28Å; L226-T237 WeakPolarHBondContact O-CA 3.28Å; H227-T237 PolarHBondContact ND1-OG1 2.89Å; T237-E239 HydrophobicContact CG2-CB 4.48Å; T237-L247 WeakPolarHBondContact O-CA 3.4Å; T237-S248 PolarHBondContact N-O 3.46Å; T237-S248 PolarHBondContact O-N 3.41Å
238	L	98.2	Very high	93.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.3	167.4	-168.3	70.3	0	0	0	108.3	I225 L226 L245 V246 L247 V279 I281	I225-L238 WeakPolarHBondContact CA-O 3.32Å; I225-L238 HydrophobicContact CB-CB 4.48Å; I225-L238 HydrophobicContact CB-CD2 4.35Å; I225-L238 HydrophobicContact CB-CG 4.47Å; I225-L238 WeakPolarHBondContact CB-O 3.28Å; I225-L238 HydrophobicContact CD1-CD2 4.5Å; I225-L238 HydrophobicContact CG2-CD2 4.01Å; I225-L238 PolarHBondContact N-O 2.92Å; L226-L238 HydrophobicContact CD1-CB 4.39Å; L226-L238 HydrophobicContact CD2-CB 3.74Å; L226-L238 HydrophobicContact CD2-CD2 3.89Å; L226-L238 HydrophobicContact CD2-CG 4.5Å; L226-L238 HydrophobicContact CG-CB 3.6Å; L226-L238 PolarHBondContact N-O 3.08Å; L226-L238 VanDerWaalsContact N-O 3.12Å; L226-L238 PolarHBondContact O-N 2.7Å; L238-L245 HydrophobicContact CD1-CD1 3.82Å; L238-L245 HydrophobicContact CD1-CD2 3.92Å; L238-L245 HydrophobicContact CD1-CG 3.71Å; L238-L245 HydrophobicContact CD2-CD1 4.14Å; L238-L245 HydrophobicContact CG-CD1 3.78Å; L238-L245 HydrophobicContact CG-CG 4.25Å; L238-V246 WeakPolarHBondContact CA-O 3.29Å; L238-L247 HydrophobicContact CD1-CB 3.99Å; L238-L247 HydrophobicContact CD1-CD1 4.3Å; L238-V279 HydrophobicContact CD2-CG1 3.92Å; L238-I281 HydrophobicContact CD1-CD1 4.29Å; L238-I281 HydrophobicContact CD2-CD1 4.36Å
239	E	97.6	Very high	93.3	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.5	-177.5	63.5	-175.8	155.2	0	0	112.2	G223 V224 T237 K241 V246	G223-E239 CarbonylContact O-C 3.29Å; G223-E239 WeakPolarHBondContact O-CA 3.01Å; V224-E239 HydrophobicContact CG2-CB 4.22Å; T237-E239 HydrophobicContact CG2-CB 4.48Å; E239-K241 HydrophobicContact CG-CD 4.41Å; E239-K241 HydrophobicContact CG-CG 4.33Å; E239-K241 WeakPolarHBondContact OE1-CE 3.34Å; E239-K241 IonicContact OE1-NZ 3.17Å; E239-K241 PolarHBondContact OE1-NZ 2.75Å; E239-K241 WeakPolarHBondContact OE2-CE 3.43Å; E239-K241 IonicContact OE2-NZ 2.71Å; E239-V246 HydrophobicContact CG-CB 4.1Å; E239-V246 PolarHBondContact N-O 2.86Å; E239-V246 PolarHBondContact O-N 2.8Å
240	L	98	Very high	93.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.2	165.3	-69.8	169.2	0	0	0	109.6	F216 T218 E222 G223 I225 K244 L245 L271 F333	F216-L240 HydrophobicContact CD2-CD1 4.45Å; F216-L240 HydrophobicContact CE2-CD1 3.93Å; F216-L240 HydrophobicContact CE2-CD2 4.13Å; F216-L240 HydrophobicContact CE2-CG 4.47Å; F216-L240 HydrophobicContact CZ-CD2 4.03Å; T218-L240 HydrophobicContact CG2-CD1 3.55Å; E222-L240 VanDerWaalsContact CA-O 3.31Å; E222-L240 WeakPolarHBondContact CA-O 3.37Å; G223-L240 PolarHBondContact N-O 2.86Å; G223-L240 VanDerWaalsContact N-O 3.16Å; G223-L240 PolarHBondContact O-N 3.36Å; I225-L240 HydrophobicContact CD1-CD1 4.45Å; I225-L240 HydrophobicContact CD1-CG 4.08Å; L240-K244 CarbonylContact C-O 3.57Å; L240-K244 WeakPolarHBondContact CA-O 3.42Å; L240-L245 HydrophobicContact CD2-CD1 4.24Å; L240-L271 HydrophobicContact CD2-CB 3.95Å; L240-L271 HydrophobicContact CD2-CD1 3.76Å; L240-F333 HydrophobicContact CD1-CD2 4.35Å; L240-F333 HydrophobicContact CD1-CE2 4.16Å
241	K	95.4	Very high	93.6	Very high	89 Å²	89	31.6 Å²	31.6	39%	0.387	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119.8	170.1	-76.4	178.5	166.5	156.5	0	108.4	S221 E239 A243 K244 V246	S221-K241 CarbonylContact O-C 3.47Å; E239-K241 HydrophobicContact CG-CD 4.41Å; E239-K241 HydrophobicContact CG-CG 4.33Å; E239-K241 WeakPolarHBondContact OE1-CE 3.34Å; E239-K241 IonicContact OE1-NZ 3.17Å; E239-K241 PolarHBondContact OE1-NZ 2.75Å; E239-K241 WeakPolarHBondContact OE2-CE 3.43Å; E239-K241 IonicContact OE2-NZ 2.71Å; K241-A243 VanDerWaalsContact C-N 3.27Å; K241-A243 PolarHBondContact O-N 2.56Å; K241-K244 PolarHBondContact N-O 2.84Å; K241-K244 WeakPolarHBondContact O-CB 3.28Å; K241-K244 PolarHBondContact O-N 2.88Å; K241-V246 HydrophobicContact CB-CG2 4.05Å; K241-V246 HydrophobicContact CD-CG2 4.15Å; K241-V246 HydrophobicContact CG-CG2 4.41Å
242	K	94	Very high	93.8	Very high	128 Å²	128	25 Å²	25	56%	0.557	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	44	-177.3	-59	-174.2	166.8	-148.8	0	113.2	S221 K244	S221-K242 PolarHBondContact O-N 2.87Å; K242-K244 PolarHBondContact O-N 3.1Å; K242-K244 VanDerWaalsContact O-N 3.16Å
243	A	96.5	Very high	93.6	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	21.9	-176.6	0	0	0	0	0	114.6	S221 K241 S269 L270 L271 D272	S221-A243 PolarHBondContact O-N 2.86Å; K241-A243 VanDerWaalsContact C-N 3.27Å; K241-A243 PolarHBondContact O-N 2.56Å; A243-S269 CarbonylContact O-C 3.57Å; A243-L270 PolarHBondContact O-N 3.25Å; A243-L271 WeakPolarHBondContact O-CB 3.13Å; A243-L271 VanDerWaalsContact O-CG 3.28Å; A243-L271 WeakPolarHBondContact O-CG 3.27Å; A243-L271 PolarHBondContact O-N 3.05Å; A243-D272 HydrophobicContact CB-CB 3.96Å
244	K	96.4	Very high	92.7	Very high	54 Å²	54	24.2 Å²	24.2	24%	0.235	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.6	171.5	-54.6	-168.2	174.7	-173.7	0	110.3	L240 K241 K242 M266 G268	L240-K244 CarbonylContact C-O 3.57Å; L240-K244 WeakPolarHBondContact CA-O 3.42Å; K241-K244 PolarHBondContact N-O 2.84Å; K241-K244 WeakPolarHBondContact O-CB 3.28Å; K241-K244 PolarHBondContact O-N 2.88Å; K242-K244 PolarHBondContact O-N 3.1Å; K242-K244 VanDerWaalsContact O-N 3.16Å; K244-M266 HydrophobicContact CB-CG 3.93Å; K244-M266 HydrophobicContact CB-SD 3.99Å; K244-M266 HydrophobicContact CD-CE 4.15Å; K244-M266 HydrophobicContact CD-CG 4.3Å; K244-M266 HydrophobicContact CD-SD 3.66Å; K244-M266 HydrophobicContact CG-SD 4.4Å; K244-G268 WeakPolarHBondContact CG-O 3.35Å
245	L	97.6	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.9	179.2	-167.2	70.6	0	0	0	109.8	F216 I225 L238 L240 M266 T267 L271 V279 L292	F216-L245 HydrophobicContact CE1-CD1 4.3Å; I225-L245 HydrophobicContact CD1-CD1 3.76Å; L238-L245 HydrophobicContact CD1-CD1 3.82Å; L238-L245 HydrophobicContact CD1-CD2 3.92Å; L238-L245 HydrophobicContact CD1-CG 3.71Å; L238-L245 HydrophobicContact CD2-CD1 4.14Å; L238-L245 HydrophobicContact CG-CD1 3.78Å; L238-L245 HydrophobicContact CG-CG 4.25Å; L240-L245 HydrophobicContact CD2-CD1 4.24Å; L245-M266 CarbonylContact O-C 3.57Å; L245-M266 VanDerWaalsContact O-CA 3.29Å; L245-M266 WeakPolarHBondContact O-CA 3.42Å; L245-T267 HydrophobicContact CB-CG2 4.22Å; L245-T267 WeakPolarHBondContact CB-O 3.48Å; L245-T267 HydrophobicContact CD2-CG2 4.28Å; L245-T267 PolarHBondContact N-O 2.95Å; L245-T267 PolarHBondContact O-N 3.21Å; L245-L271 HydrophobicContact CB-CD1 3.81Å; L245-V279 HydrophobicContact CD2-CG1 4.04Å; L245-V279 HydrophobicContact CD2-CG2 3.73Å; L245-L292 HydrophobicContact CB-CD2 4.03Å; L245-L292 HydrophobicContact CD2-CB 4.34Å; L245-L292 HydrophobicContact CD2-CD1 4.14Å; L245-L292 HydrophobicContact CD2-CD2 4.19Å; L245-L292 HydrophobicContact CD2-CG 4.46Å
246	V	97.2	Very high	89.3	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.6	178.8	-179.1	0	0	0	0	109.1	L238 E239 K241 V265 M266	L238-V246 WeakPolarHBondContact CA-O 3.29Å; E239-V246 HydrophobicContact CG-CB 4.1Å; E239-V246 PolarHBondContact N-O 2.86Å; E239-V246 PolarHBondContact O-N 2.8Å; K241-V246 HydrophobicContact CB-CG2 4.05Å; K241-V246 HydrophobicContact CD-CG2 4.15Å; K241-V246 HydrophobicContact CG-CG2 4.41Å; V246-V265 WeakPolarHBondContact CA-O 3.46Å; V246-M266 HydrophobicContact CG2-CB 4.27Å; V246-M266 HydrophobicContact CG2-CG 4.03Å; V246-M266 HydrophobicContact CG2-SD 4.48Å
247	L	98	Very high	87.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.4	170.2	175.1	59	0	0	0	108.8	I236 T237 L238 S264 V265 I281 I288 L290 F299	I236-L247 HydrophobicContact CD1-CD1 4.31Å; I236-L247 HydrophobicContact CG1-CD1 3.97Å; T237-L247 WeakPolarHBondContact O-CA 3.4Å; L238-L247 HydrophobicContact CD1-CB 3.99Å; L238-L247 HydrophobicContact CD1-CD1 4.3Å; L247-S264 WeakPolarHBondContact O-CA 3.44Å; L247-V265 PolarHBondContact N-O 2.93Å; L247-V265 PolarHBondContact O-N 3.34Å; L247-I281 HydrophobicContact CD1-CD1 4.04Å; L247-I281 HydrophobicContact CD2-CD1 4.23Å; L247-I281 HydrophobicContact CD2-CG1 4.4Å; L247-I281 HydrophobicContact CD2-CG2 4.15Å; L247-I288 HydrophobicContact CD2-CG2 4.43Å; L247-L290 HydrophobicContact CB-CD2 4.02Å; L247-L290 HydrophobicContact CD2-CB 4.48Å; L247-L290 HydrophobicContact CD2-CD1 4.28Å; L247-L290 HydrophobicContact CD2-CD2 4.2Å; L247-F299 HydrophobicContact CD2-CE1 4.45Å; L247-F299 HydrophobicContact CD2-CZ 3.92Å
248	S	96.8	Very high	85.2	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.063	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.8	172.4	-65.6	0	0	0	0	110.3	I236 T237 T263 S264	I236-S248 CarbonylContact C-O 3.53Å; I236-S248 WeakPolarHBondContact CA-O 3.48Å; T237-S248 PolarHBondContact N-O 3.46Å; T237-S248 PolarHBondContact O-N 3.41Å; S248-T263 CarbonylContact C-O 3.52Å; S248-T263 WeakPolarHBondContact CA-O 3.23Å; S248-S264 PolarHBondContact OG-OG 2.73Å
249	L	95.4	Very high	83.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.2	-174.5	-179.2	62.9	0	0	0	110.6	Y235 I236 L251 T263 I288 T301 L308	Y235-L249 CarbonylContact O-C 3.44Å; Y235-L249 WeakPolarHBondContact O-CA 3.25Å; Y235-L249 WeakPolarHBondContact O-CD1 3.37Å; I236-L249 HydrophobicContact CB-CD1 3.8Å; I236-L249 HydrophobicContact CD1-CD1 4.2Å; I236-L249 HydrophobicContact CG1-CD1 4Å; L249-L251 HydrophobicContact CD1-CD2 3.86Å; L249-L251 HydrophobicContact CD2-CD2 4.3Å; L249-L251 HydrophobicContact CG-CD2 4Å; L249-T263 PolarHBondContact N-O 2.85Å; L249-T263 PolarHBondContact O-N 3.04Å; L249-I288 HydrophobicContact CD2-CD1 4.05Å; L249-I288 HydrophobicContact CD2-CG1 4.15Å; L249-T301 HydrophobicContact CB-CG2 4.48Å; L249-T301 HydrophobicContact CD2-CG2 3.56Å; L249-T301 HydrophobicContact CG-CG2 4.03Å; L249-L308 HydrophobicContact CD1-CD1 3.96Å; L249-L308 HydrophobicContact CD1-CD2 4.41Å
250	N	92.6	Very high	82.1	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.07	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.6	170.5	-175.6	17.5	0	0	0	109.2	G233 D234 Y235 G252 G261	G233-N250 PolarHBondContact O-ND2 2.87Å; D234-N250 CarbonylContact C-O 3.52Å; D234-N250 VanDerWaalsContact CA-O 3.27Å; D234-N250 WeakPolarHBondContact CA-O 3.07Å; Y235-N250 HydrophobicContact CD1-CB 3.7Å; Y235-N250 HydrophobicContact CE1-CB 3.53Å; Y235-N250 HydrophobicContact CG-CB 4.41Å; Y235-N250 PolarHBondContact N-O 2.67Å; Y235-N250 PolarHBondContact O-N 3.17Å; N250-G252 PolarHBondContact OD1-N 3.2Å; N250-G252 VanDerWaalsContact OD1-N 3.12Å; N250-G252 PolarHBondContact OD1-O 3.18Å; N250-G261 WeakPolarHBondContact OD1-CA 3.28Å
251	L	92.4	Very high	81.3	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	29%	0.289	C	S	.	.	S	Bend	trans	-105.2	8	-178.8	-52.4	175	0	0	0	113	L249 R286 T301 F305 L308	L249-L251 HydrophobicContact CD1-CD2 3.86Å; L249-L251 HydrophobicContact CD2-CD2 4.3Å; L249-L251 HydrophobicContact CG-CD2 4Å; L251-R286 HydrophobicContact CD1-CG 3.9Å; L251-T301 HydrophobicContact CD1-CG2 4.16Å; L251-T301 WeakPolarHBondContact CD1-OG1 3.47Å; L251-T301 HydrophobicContact CG-CG2 4.5Å; L251-F305 HydrophobicContact CB-CB 4.09Å; L251-F305 WeakPolarHBondContact CD1-O 3.46Å; L251-F305 WeakPolarHBondContact O-CB 3.4Å; L251-F305 WeakPolarHBondContact O-CG 3.5Å; L251-L308 HydrophobicContact CD2-CB 4Å; L251-L308 HydrophobicContact CD2-CD1 3.98Å
252	G	84.6	Confident	81.1	Confident	6 Å²	6	56.4 Å²	56.4	6%	0.062	29%	0.289	C	S	.	.			trans	122.8	144.8	-172.3	0	0	0	0	0	111.3	D234 N250 G261 F305	D234-G252 PolarHBondContact OD1-N 2.86Å; N250-G252 PolarHBondContact OD1-N 3.2Å; N250-G252 VanDerWaalsContact OD1-N 3.12Å; N250-G252 PolarHBondContact OD1-O 3.18Å; G252-G261 WeakPolarHBondContact O-CA 3.37Å; G252-F305 VanDerWaalsContact C-CD2 3.45Å; G252-F305 VanDerWaalsContact O-CD2 3.23Å; G252-F305 WeakPolarHBondContact O-CD2 3.05Å
253	S	73.8	Confident	81.1	Confident	48 Å²	48	50.8 Å²	50.8	34%	0.336	27%	0.265	S	S	.	.			trans	-121.5	144.3	172.9	-65	0	0	0	0	108.9	Q255 G261	S253-Q255 PolarHBondContact O-N 2.85Å; S253-G261 PolarHBondContact OG-N 2.9Å
254	N	65	Low	81	Confident	70 Å²	70	53.6 Å²	53.6	37%	0.374	28%	0.284	S	S	.	.			trans	-75.9	122.9	174.2	-174.2	-12.1	0	0	0	109.2	L256 I259	N254-L256 PolarHBondContact O-N 2.85Å; N254-L256 PolarHBondContact OD1-N 3.19Å; N254-I259 PolarHBondContact N-O 2.91Å
255	Q	59.2	Low	80.9	Confident	199 Å²	199	52.1 Å²	52.1	93%	0.93	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.6	179.3	-65.2	-168.5	-10	0	0	113.5	S253	S253-Q255 PolarHBondContact O-N 2.85Å
256	L	55	Low	80.7	Confident	175 Å²	175	57.3 Å²	57.3	92%	0.916	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-3.2	-173.8	-70.5	165.2	0	0	0	113.5	N254	N254-L256 PolarHBondContact O-N 2.85Å; N254-L256 PolarHBondContact OD1-N 3.19Å
257	G	53.2	Low	80.5	Confident	24 Å²	24	57.3 Å²	57.3	25%	0.247	31%	0.306	C	S	.	.	S	Bend	trans	-128.2	162.8	-173.6	0	0	0	0	0	113.5	I259	G257-I259 PolarHBondContact O-N 2.84Å
258	P	52.7	Low	80.2	Confident	117 Å²	117	57.9 Å²	57.9	76%	0.76	31%	0.311	S	S	*	.	S	Bend	trans	-71.5	8	178.7	30.7	-35.4	0	0	0	114	Y260	P258-Y260 WeakPolarHBondContact O-CD2 3.4Å; P258-Y260 PolarHBondContact O-N 3.05Å
259	I	58	Low	80.1	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.297	32%	0.316	S	S	.	.			trans	-91.8	98	-172.3	-51.6	179.2	0	0	0	109.6	N254 G257 E304	N254-I259 PolarHBondContact N-O 2.91Å; G257-I259 PolarHBondContact O-N 2.84Å; I259-E304 HydrophobicContact CD1-CG 4.19Å; I259-E304 WeakPolarHBondContact CD1-OE1 3.27Å
260	Y	72	Confident	80.1	Confident	181 Å²	181	59.4 Å²	59.4	71%	0.71	32%	0.321	S	S	*	.			trans	-85.6	123.5	172.4	-63	-83.1	0	0	0	110.4	P258 H262 N302	P258-Y260 WeakPolarHBondContact O-CD2 3.4Å; P258-Y260 PolarHBondContact O-N 3.05Å; Y260-H262 VanDerWaalsContact C-N 3.33Å; Y260-N302 WeakPolarHBondContact O-CB 3.38Å
261	G	82.2	Confident	80.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.318	C	S	.	.			trans	-80.4	-9.4	-179.3	0	0	0	0	0	115.1	N250 G252 S253 T263	N250-G261 WeakPolarHBondContact OD1-CA 3.28Å; G252-G261 WeakPolarHBondContact O-CA 3.37Å; S253-G261 PolarHBondContact OG-N 2.9Å; G261-T263 PolarHBondContact O-N 2.82Å; G261-T263 PolarHBondContact O-OG1 2.79Å
262	H	90.2	Very high	80.4	Confident	82 Å²	82	59.2 Å²	59.2	38%	0.38	32%	0.32	S	S	.	.			trans	-60.4	125.4	-179.7	176.6	61.5	0	0	0	111.5	Y235 Y260 N302	Y235-H262 AromaticContact CZ-ND1 3.75Å; Y235-H262 PolarHBondContact OH-CE1 3.12Å; Y235-H262 PolarHBondContact OH-ND1 2.9Å; Y260-H262 VanDerWaalsContact C-N 3.33Å; H262-N302 PolarHBondContact O-ND2 3.35Å
263	T	93.5	Very high	80.8	Confident	10 Å²	10	60.2 Å²	60.2	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.8	175.8	-49.7	0	0	0	0	108.2	S248 L249 G261 V265 F299 T301 N302	S248-T263 CarbonylContact C-O 3.52Å; S248-T263 WeakPolarHBondContact CA-O 3.23Å; L249-T263 PolarHBondContact N-O 2.85Å; L249-T263 PolarHBondContact O-N 3.04Å; G261-T263 PolarHBondContact O-N 2.82Å; G261-T263 PolarHBondContact O-OG1 2.79Å; T263-V265 HydrophobicContact CG2-CG2 4.48Å; T263-F299 HydrophobicContact CG2-CD2 4.05Å; T263-F299 HydrophobicContact CG2-CE2 3.94Å; T263-T301 HydrophobicContact CG2-CG2 4.31Å; T263-T301 VanDerWaalsContact OG1-CA 3.28Å; T263-T301 WeakPolarHBondContact OG1-CA 3.4Å; T263-T301 WeakPolarHBondContact OG1-CB 3.43Å; T263-N302 PolarHBondContact OG1-N 3.14Å
264	S	95.1	Very high	81.8	Confident	63 Å²	63	58.7 Å²	58.7	44%	0.441	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.2	176.4	-171.8	0	0	0	0	109.8	L247 S248	L247-S264 WeakPolarHBondContact O-CA 3.44Å; S248-S264 PolarHBondContact OG-OG 2.73Å
265	V	93.7	Very high	83.2	Confident	23 Å²	23	56.4 Å²	56.4	14%	0.139	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.7	-179.9	178.6	0	0	0	0	108.8	V246 L247 T263 L290 F299	V246-V265 WeakPolarHBondContact CA-O 3.46Å; L247-V265 PolarHBondContact N-O 2.93Å; L247-V265 PolarHBondContact O-N 3.34Å; T263-V265 HydrophobicContact CG2-CG2 4.48Å; V265-L290 HydrophobicContact CG1-CD2 4.33Å; V265-F299 HydrophobicContact CB-CD1 4.37Å; V265-F299 HydrophobicContact CB-CE1 4.02Å; V265-F299 HydrophobicContact CB-CZ 4.12Å; V265-F299 HydrophobicContact CG1-CD1 4.21Å; V265-F299 HydrophobicContact CG1-CE1 4.12Å; V265-F299 HydrophobicContact CG2-CD1 3.79Å; V265-F299 HydrophobicContact CG2-CD2 3.67Å; V265-F299 HydrophobicContact CG2-CE1 3.74Å; V265-F299 HydrophobicContact CG2-CE2 3.63Å; V265-F299 HydrophobicContact CG2-CG 3.75Å; V265-F299 HydrophobicContact CG2-CZ 3.66Å
266	M	94.4	Very high	84.9	Confident	109 Å²	109	49 Å²	49	54%	0.537	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.6	178.8	-178	176.7	64	0	0	109.9	K244 L245 V246	K244-M266 HydrophobicContact CB-CG 3.93Å; K244-M266 HydrophobicContact CB-SD 3.99Å; K244-M266 HydrophobicContact CD-CE 4.15Å; K244-M266 HydrophobicContact CD-CG 4.3Å; K244-M266 HydrophobicContact CD-SD 3.66Å; K244-M266 HydrophobicContact CG-SD 4.4Å; L245-M266 CarbonylContact O-C 3.57Å; L245-M266 VanDerWaalsContact O-CA 3.29Å; L245-M266 WeakPolarHBondContact O-CA 3.42Å; V246-M266 HydrophobicContact CG2-CB 4.27Å; V246-M266 HydrophobicContact CG2-CG 4.03Å; V246-M266 HydrophobicContact CG2-SD 4.48Å
267	T	92.8	Very high	86.9	Confident	9 Å²	9	41 Å²	41	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158	178.5	-170.5	0	0	0	0	111.4	L245 L290 L292	L245-T267 HydrophobicContact CB-CG2 4.22Å; L245-T267 WeakPolarHBondContact CB-O 3.48Å; L245-T267 HydrophobicContact CD2-CG2 4.28Å; L245-T267 PolarHBondContact N-O 2.95Å; L245-T267 PolarHBondContact O-N 3.21Å; T267-L290 HydrophobicContact CG2-CD2 3.65Å; T267-L290 HydrophobicContact CG2-CG 4.13Å; T267-L292 HydrophobicContact CG2-CB 3.9Å; T267-L292 HydrophobicContact CG2-CD2 3.91Å
268	G	92	Very high	89	Confident	12 Å²	12	41.8 Å²	41.8	12%	0.124	22%	0.221	C	C	.	.			trans	73.8	174.8	-178.4	0	0	0	0	0	114.9	K244 L292	K244-G268 WeakPolarHBondContact CG-O 3.35Å; G268-L292 VanDerWaalsContact CA-CD2 3.47Å
269	S	93.8	Very high	91.1	Very high	24 Å²	24	36.3 Å²	36.3	17%	0.168	19%	0.186	C	C	.	.	S	Bend	trans	-161.8	159.4	178.7	-163.5	0	0	0	0	109.3	A243 L271 D556	A243-S269 CarbonylContact O-C 3.57Å; S269-L271 PolarHBondContact O-N 3.45Å; S269-L271 VanDerWaalsContact O-N 3.16Å; S269-D556 WeakPolarHBondContact CB-OD2 3.26Å; S269-D556 PolarHBondContact OG-OD2 2.71Å
270	L	95.3	Very high	93.1	Very high	20 Å²	20	35.4 Å²	35.4	11%	0.105	18%	0.183	C	C	.	.			trans	54.8	33.6	176	-54.3	163.9	0	0	0	113.2	A243 D272 I554 D556	A243-L270 PolarHBondContact O-N 3.25Å; L270-D272 PolarHBondContact O-N 3.3Å; L270-I554 HydrophobicContact CD1-CG2 3.88Å; L270-I554 HydrophobicContact CD2-CG2 3.99Å; L270-I554 HydrophobicContact CG-CG2 4.5Å; L270-D556 HydrophobicContact CD1-CB 4.04Å
271	L	96.4	Very high	94.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	6	-178.1	-55.2	173.2	0	0	0	113.4	F216 L240 A243 L245 S269 H277 L292	F216-L271 HydrophobicContact CE2-CB 4.3Å; F216-L271 HydrophobicContact CZ-CB 4.2Å; F216-L271 HydrophobicContact CZ-CD1 4.19Å; L240-L271 HydrophobicContact CD2-CB 3.95Å; L240-L271 HydrophobicContact CD2-CD1 3.76Å; A243-L271 WeakPolarHBondContact O-CB 3.13Å; A243-L271 VanDerWaalsContact O-CG 3.28Å; A243-L271 WeakPolarHBondContact O-CG 3.27Å; A243-L271 PolarHBondContact O-N 3.05Å; L245-L271 HydrophobicContact CB-CD1 3.81Å; S269-L271 PolarHBondContact O-N 3.45Å; S269-L271 VanDerWaalsContact O-N 3.16Å; L271-H277 VanDerWaalsContact CD2-CE1 3.48Å; L271-H277 WeakPolarHBondContact CD2-CE1 3.33Å; L271-H277 WeakPolarHBondContact CD2-ND1 3.28Å; L271-L292 HydrophobicContact CD1-CD2 3.82Å; L271-L292 HydrophobicContact CD2-CD1 4.39Å; L271-L292 HydrophobicContact CD2-CD2 4.07Å
272	D	95.4	Very high	95.1	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.053	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	22.5	175.4	67	-15.9	0	0	0	112	T218 A243 L270 H274 R402	T218-D272 CarbonylContact O-C 3.58Å; T218-D272 VanDerWaalsContact O-C 3.29Å; T218-D272 WeakPolarHBondContact O-CA 3.42Å; A243-D272 HydrophobicContact CB-CB 3.96Å; L270-D272 PolarHBondContact O-N 3.3Å; D272-H274 VanDerWaalsContact C-N 3.27Å; D272-H274 PolarHBondContact O-N 2.87Å; D272-R402 IonicContact OD1-NH1 3.72Å; D272-R402 PolarHBondContact OD1-NH1 3.4Å; D272-R402 IonicContact OD2-NH1 3.31Å
273	D	94.1	Very high	95.4	Very high	28 Å²	28	27.3 Å²	27.3	15%	0.15	15%	0.151	C	C	.	.	S	Bend	trans	-83.2	2.4	-176.7	73	-2.6	0	0	0	114.2	N123 K125 H275 H277	N123-D273 PolarHBondContact ND2-O 3.46Å; K125-D273 IonicContact NZ-OD2 3.05Å; K125-D273 PolarHBondContact NZ-OD2 3.16Å; D273-H275 PolarHBondContact O-N 3.44Å; D273-H275 PolarHBondContact O-ND1 3.37Å; D273-H275 WeakPolarHBondContact OD1-CA 3.34Å; D273-H275 VanDerWaalsContact OD1-CB 3.29Å; D273-H275 WeakPolarHBondContact OD1-CB 3.49Å; D273-H275 IonicContact OD1-CG 2.83Å; D273-H275 PolarHBondContact OD1-N 2.94Å; D273-H275 IonicContact OD1-ND1 3.02Å; D273-H275 IonicContact OD2-CG 3.41Å; D273-H275 IonicContact OD2-ND1 3.33Å; D273-H277 IonicContact OD1-CE1 3.59Å; D273-H277 IonicContact OD1-NE2 2.67Å; D273-H277 PolarHBondContact OD1-NE2 2.76Å; D273-H277 VanDerWaalsContact OD1-NE2 3.1Å; D273-H277 IonicContact OD2-CE1 3.72Å; D273-H277 IonicContact OD2-NE2 3.54Å
274	H	93.6	Very high	95.6	Very high	16 Å²	16	31.2 Å²	31.2	7%	0.074	17%	0.169	C	C	.	.	S	Bend	trans	53.8	33.6	-173.2	-162.8	65.7	0	0	0	114	K217 T218 S219 D272 E370 P371	K217-H274 VanDerWaalsContact CD-O 3.28Å; K217-H274 WeakPolarHBondContact CD-O 3.49Å; K217-H274 VanDerWaalsContact CG-C 3.5Å; K217-H274 WeakPolarHBondContact CG-O 3.46Å; K217-H274 PolarHBondContact NZ-NE2 3Å; K217-H274 VanDerWaalsContact NZ-NE2 3.15Å; T218-H274 WeakPolarHBondContact O-CA 3.38Å; T218-H274 PolarHBondContact O-N 3.46Å; S219-H274 WeakPolarHBondContact OG-CB 3.47Å; D272-H274 VanDerWaalsContact C-N 3.27Å; D272-H274 PolarHBondContact O-N 2.87Å; H274-E370 IonicContact CD2-OE1 3.38Å; H274-E370 IonicContact CD2-OE2 3.9Å; H274-E370 IonicContact NE2-OE1 3.13Å; H274-E370 IonicContact NE2-OE2 2.62Å; H274-E370 PolarHBondContact NE2-OE2 2.95Å; H274-P371 VanDerWaalsContact CD2-CD 3.42Å; H274-P371 WeakPolarHBondContact CD2-CD 3.25Å; H274-P371 WeakPolarHBondContact CE1-CD 3.31Å; H274-P371 WeakPolarHBondContact NE2-CD 3.13Å
275	H	94.3	Very high	95.7	Very high	21 Å²	21	28.6 Å²	28.6	10%	0.097	15%	0.151	C	C	.	.	S	Bend	trans	-110.1	164	166.6	-67.7	81.1	0	0	0	111.7	N123 K125 K217 D273 H277	N123-H275 PolarHBondContact ND2-CE1 2.77Å; N123-H275 VanDerWaalsContact ND2-CE1 3.27Å; N123-H275 PolarHBondContact O-CE1 3.4Å; N123-H275 PolarHBondContact O-NE2 3.5Å; K125-H275 WeakPolarHBondContact CB-NE2 3.3Å; K125-H275 HydrophobicContact CD-CB 3.93Å; K125-H275 VanDerWaalsContact CD-CG 3.49Å; K217-H275 WeakPolarHBondContact CA-O 3.36Å; K217-H275 WeakPolarHBondContact CG-O 3.35Å; D273-H275 PolarHBondContact O-N 3.44Å; D273-H275 PolarHBondContact O-ND1 3.37Å; D273-H275 WeakPolarHBondContact OD1-CA 3.34Å; D273-H275 VanDerWaalsContact OD1-CB 3.29Å; D273-H275 WeakPolarHBondContact OD1-CB 3.49Å; D273-H275 IonicContact OD1-CG 2.83Å; D273-H275 PolarHBondContact OD1-N 2.94Å; D273-H275 IonicContact OD1-ND1 3.02Å; D273-H275 IonicContact OD2-CG 3.41Å; D273-H275 IonicContact OD2-ND1 3.33Å; H275-H277 PolarHBondContact O-CD2 3.4Å; H275-H277 PolarHBondContact O-N 2.88Å
276	W	95	Very high	95.7	Very high	45 Å²	45	29.7 Å²	29.7	17%	0.17	15%	0.153	C	C	.	.			trans	-73.7	127.5	176.5	-70.2	105.5	0	0	0	110.9	R92 D119 V187 N215 F216 K217 C336 E338	R92-W276 VanDerWaalsContact NH2-CD1 3.29Å; D119-W276 PolarHBondContact OD2-NE1 2.84Å; V187-W276 HydrophobicContact CG1-CH2 3.89Å; V187-W276 HydrophobicContact CG1-CZ2 4.27Å; V187-W276 HydrophobicContact CG2-CH2 4.11Å; V187-W276 HydrophobicContact CG2-CZ2 4.05Å; N215-W276 HydrophobicContact CB-CE3 4.04Å; N215-W276 HydrophobicContact CB-CZ3 4.49Å; F216-W276 CarbonylContact O-C 3.58Å; F216-W276 WeakPolarHBondContact O-CA 3.37Å; K217-W276 HydrophobicContact CB-CD2 3.89Å; K217-W276 HydrophobicContact CB-CE3 3.74Å; K217-W276 HydrophobicContact CB-CG 4.44Å; K217-W276 HydrophobicContact CB-CH2 4.41Å; K217-W276 HydrophobicContact CB-CZ3 4.01Å; K217-W276 HydrophobicContact CD-CD2 4.22Å; K217-W276 HydrophobicContact CD-CG 4.33Å; W276-C336 HydrophobicContact CH2-CB 3.77Å; W276-C336 HydrophobicContact CZ2-CB 4.39Å; W276-C336 HydrophobicContact CZ3-CB 4.35Å; W276-E338 HydrophobicContact CE3-CG 4.05Å; W276-E338 HydrophobicContact CH2-CB 4.08Å; W276-E338 HydrophobicContact CH2-CG 3.91Å; W276-E338 HydrophobicContact CZ3-CB 4.17Å; W276-E338 HydrophobicContact CZ3-CG 3.66Å
277	H	96.5	Very high	95.8	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.2	169.7	-63.9	-76.1	0	0	0	110.2	N215 F216 L271 D273 H275 L292 D293	N215-H277 CarbonylContact C-O 3.54Å; N215-H277 WeakPolarHBondContact CA-O 3.35Å; N215-H277 WeakPolarHBondContact CB-O 3.25Å; F216-H277 HydrophobicContact CD1-CB 4.25Å; F216-H277 HydrophobicContact CE1-CB 3.78Å; F216-H277 HydrophobicContact CE2-CB 4.26Å; F216-H277 HydrophobicContact CZ-CB 3.78Å; F216-H277 PolarHBondContact N-O 3.12Å; F216-H277 PolarHBondContact O-N 2.99Å; L271-H277 VanDerWaalsContact CD2-CE1 3.48Å; L271-H277 WeakPolarHBondContact CD2-CE1 3.33Å; L271-H277 WeakPolarHBondContact CD2-ND1 3.28Å; D273-H277 IonicContact OD1-CE1 3.59Å; D273-H277 IonicContact OD1-NE2 2.67Å; D273-H277 PolarHBondContact OD1-NE2 2.76Å; D273-H277 VanDerWaalsContact OD1-NE2 3.1Å; D273-H277 IonicContact OD2-CE1 3.72Å; D273-H277 IonicContact OD2-NE2 3.54Å; H275-H277 PolarHBondContact O-CD2 3.4Å; H275-H277 PolarHBondContact O-N 2.88Å; H277-L292 HydrophobicContact CB-CD1 4.19Å; H277-D293 WeakPolarHBondContact CA-OD1 3.23Å; H277-D293 WeakPolarHBondContact CB-OD1 3.48Å; H277-D293 IonicContact CE1-OD2 3.63Å; H277-D293 IonicContact CG-OD1 3.9Å; H277-D293 IonicContact CG-OD2 3.95Å; H277-D293 IonicContact ND1-OD1 3.9Å; H277-D293 IonicContact ND1-OD2 3.8Å; H277-D293 PolarHBondContact ND1-OD2 3.1Å
278	S	97	Very high	96	Very high	41 Å²	41	25.8 Å²	25.8	29%	0.287	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.7	179.8	-165.3	0	0	0	0	111.1	N215 L292 D293	N215-S278 VanDerWaalsContact OD1-CA 3.29Å; N215-S278 WeakPolarHBondContact OD1-CA 3.44Å; N215-S278 VanDerWaalsContact OD1-CB 3.23Å; N215-S278 WeakPolarHBondContact OD1-CB 3.4Å; N215-S278 PolarHBondContact OD1-OG 2.97Å; S278-L292 CarbonylContact O-C 3.18Å; S278-L292 WeakPolarHBondContact O-CA 3.27Å; S278-D293 PolarHBondContact N-OD1 2.81Å; S278-D293 PolarHBondContact O-N 3.35Å
279	V	98.3	Very high	96.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.1	176.9	-176.3	0	0	0	0	109.3	A213 L214 F216 L238 L245 I281 L290 T291 L292	A213-V279 CarbonylContact C-O 2.99Å; A213-V279 VanDerWaalsContact CA-O 3.26Å; A213-V279 WeakPolarHBondContact CA-O 3.3Å; L214-V279 HydrophobicContact CD1-CB 4.36Å; L214-V279 HydrophobicContact CD1-CG2 4.46Å; L214-V279 PolarHBondContact N-O 3Å; L214-V279 PolarHBondContact O-N 3.48Å; F216-V279 HydrophobicContact CD1-CG2 3.91Å; F216-V279 HydrophobicContact CE1-CG2 3.63Å; L238-V279 HydrophobicContact CD2-CG1 3.92Å; L245-V279 HydrophobicContact CD2-CG1 4.04Å; L245-V279 HydrophobicContact CD2-CG2 3.73Å; V279-I281 HydrophobicContact CG1-CG1 4.22Å; V279-L290 HydrophobicContact CG1-CD1 4.17Å; V279-T291 CarbonylContact C-O 3.59Å; V279-T291 WeakPolarHBondContact CA-O 3.45Å; V279-L292 HydrophobicContact CG2-CD1 3.91Å
280	V	98.5	Very high	96.5	Very high	38 Å²	38	26 Å²	26	23%	0.23	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.3	171.3	-172.3	0	0	0	0	108.9	I212 A213 E282 T291	I212-V280 CarbonylContact O-C 3.48Å; I212-V280 WeakPolarHBondContact O-CA 3.48Å; A213-V280 HydrophobicContact CB-CG1 4.48Å; A213-V280 HydrophobicContact CB-CG2 4.23Å; V280-E282 HydrophobicContact CG1-CG 3.91Å; V280-T291 PolarHBondContact N-O 2.94Å; V280-T291 PolarHBondContact O-N 3.38Å
281	I	98.5	Very high	96.6	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.2	174.8	-55.5	169.4	0	0	0	106.9	V211 I212 L238 L247 V279 I288 N289 L290	V211-I281 WeakPolarHBondContact CA-O 3.14Å; I212-I281 HydrophobicContact CB-CB 4.25Å; I212-I281 PolarHBondContact N-O 2.76Å; I212-I281 PolarHBondContact O-N 2.05Å; L238-I281 HydrophobicContact CD1-CD1 4.29Å; L238-I281 HydrophobicContact CD2-CD1 4.36Å; L247-I281 HydrophobicContact CD1-CD1 4.04Å; L247-I281 HydrophobicContact CD2-CD1 4.23Å; L247-I281 HydrophobicContact CD2-CG1 4.4Å; L247-I281 HydrophobicContact CD2-CG2 4.15Å; V279-I281 HydrophobicContact CG1-CG1 4.22Å; I281-I288 HydrophobicContact CG2-CG2 4.1Å; I281-N289 WeakPolarHBondContact CA-O 3.39Å; I281-L290 HydrophobicContact CG1-CD1 3.78Å
282	E	98.5	Very high	96.5	Very high	80 Å²	80	26.2 Å²	26.2	37%	0.374	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.1	174.1	-53.8	-179.1	107.6	0	0	109	V280 I288 N289	V280-E282 HydrophobicContact CG1-CG 3.91Å; E282-I288 CarbonylContact O-C 3.5Å; E282-I288 VanDerWaalsContact O-CA 3.3Å; E282-I288 WeakPolarHBondContact O-CA 3.21Å; E282-N289 HydrophobicContact CB-CB 4.26Å; E282-N289 PolarHBondContact N-O 2.97Å; E282-N289 PolarHBondContact O-N 3.49Å
283	R	97.5	Very high	96.4	Very high	9 Å²	9	28.9 Å²	28.9	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.2	-177.8	172.7	-171.7	162.3	70.4	8.8	110	K209 D210 G285 S287 I288 D306	K209-R283 VanDerWaalsContact CA-O 3.22Å; K209-R283 WeakPolarHBondContact CA-O 3.35Å; D210-R283 HydrophobicContact CB-CB 4.23Å; D210-R283 PolarHBondContact N-O 3Å; D210-R283 VanDerWaalsContact N-O 3.11Å; D210-R283 PolarHBondContact O-N 2.78Å; D210-R283 IonicContact OD2-NE 2.91Å; R283-G285 WeakPolarHBondContact CG-O 3.37Å; R283-G285 PolarHBondContact NH1-O 3.21Å; R283-G285 PolarHBondContact NH2-O 3.08Å; R283-G285 VanDerWaalsContact NH2-O 3.07Å; R283-S287 CarbonylContact C-O 3.56Å; R283-S287 WeakPolarHBondContact CA-O 3.39Å; R283-I288 HydrophobicContact CB-CG1 4.12Å; R283-I288 HydrophobicContact CG-CG1 4.08Å; R283-D306 PolarHBondContact NH2-O 3.2Å
284	Q	97.4	Very high	95.8	Very high	92 Å²	92	33 Å²	33	43%	0.43	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	99.5	173.2	179.6	59.8	62	0	0	109.7	R286 S287	Q284-R286 PolarHBondContact O-N 2.99Å; Q284-S287 PolarHBondContact N-O 2.78Å; Q284-S287 WeakPolarHBondContact O-CB 3.29Å; Q284-S287 PolarHBondContact O-N 3.42Å
285	G	95.7	Very high	95.5	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-128.5	-169	0	0	0	0	0	109.3	L208 R283 S287	L208-G285 PolarHBondContact O-N 3.13Å; R283-G285 WeakPolarHBondContact CG-O 3.37Å; R283-G285 PolarHBondContact NH1-O 3.21Å; R283-G285 PolarHBondContact NH2-O 3.08Å; R283-G285 VanDerWaalsContact NH2-O 3.07Å; G285-S287 VanDerWaalsContact C-N 3.31Å; G285-S287 PolarHBondContact O-N 2.89Å
286	R	93.7	Very high	95.3	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.177	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.9	175.6	-69.6	174.3	59.5	-163.8	0	116.2	L251 Q284 I288 R300 T301 G303 F305 D306	L251-R286 HydrophobicContact CD1-CG 3.9Å; Q284-R286 PolarHBondContact O-N 2.99Å; R286-I288 VanDerWaalsContact O-CD1 3.28Å; R286-I288 WeakPolarHBondContact O-CD1 3.5Å; R286-R300 HydrophobicContact CB-CG 3.88Å; R286-R300 CarbonylContact O-C 3.56Å; R286-R300 WeakPolarHBondContact O-CA 3.35Å; R286-R300 WeakPolarHBondContact O-CG 3.49Å; R286-T301 WeakPolarHBondContact CA-OG1 3.36Å; R286-T301 WeakPolarHBondContact CB-OG1 3.24Å; R286-T301 WeakPolarHBondContact CG-OG1 3.44Å; R286-T301 PolarHBondContact NE-O 3.23Å; R286-T301 VanDerWaalsContact NE-O 3.09Å; R286-T301 PolarHBondContact NH2-O 3.29Å; R286-T301 PolarHBondContact O-N 2.71Å; R286-T301 PolarHBondContact O-OG1 2.8Å; R286-G303 PolarHBondContact NE-O 3.25Å; R286-G303 PolarHBondContact NH1-O 2.98Å; R286-G303 PolarHBondContact NH2-O 3.49Å; R286-F305 WeakPolarHBondContact CD-O 2.98Å; R286-F305 WeakPolarHBondContact CG-O 2.91Å; R286-D306 VanDerWaalsContact CG-OD1 3.26Å; R286-D306 WeakPolarHBondContact CG-OD1 3.39Å; R286-D306 PolarHBondContact N-OD1 3.05Å
287	S	97.2	Very high	95.1	Very high	35 Å²	35	39.7 Å²	39.7	25%	0.245	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.8	-179.5	-177.2	0	0	0	0	110.8	R283 Q284 G285 H298	R283-S287 CarbonylContact C-O 3.56Å; R283-S287 WeakPolarHBondContact CA-O 3.39Å; Q284-S287 PolarHBondContact N-O 2.78Å; Q284-S287 WeakPolarHBondContact O-CB 3.29Å; Q284-S287 PolarHBondContact O-N 3.42Å; G285-S287 VanDerWaalsContact C-N 3.31Å; G285-S287 PolarHBondContact O-N 2.89Å; S287-H298 PolarHBondContact OG-CE1 3.24Å; S287-H298 PolarHBondContact OG-NE2 2.74Å
288	I	97.8	Very high	94.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133	-176.3	-61.5	89.9	0	0	0	110.3	L247 L249 I281 E282 R283 R286 H298 F299 T301	L247-I288 HydrophobicContact CD2-CG2 4.43Å; L249-I288 HydrophobicContact CD2-CD1 4.05Å; L249-I288 HydrophobicContact CD2-CG1 4.15Å; I281-I288 HydrophobicContact CG2-CG2 4.1Å; E282-I288 CarbonylContact O-C 3.5Å; E282-I288 VanDerWaalsContact O-CA 3.3Å; E282-I288 WeakPolarHBondContact O-CA 3.21Å; R283-I288 HydrophobicContact CB-CG1 4.12Å; R283-I288 HydrophobicContact CG-CG1 4.08Å; R286-I288 VanDerWaalsContact O-CD1 3.28Å; R286-I288 WeakPolarHBondContact O-CD1 3.5Å; I288-H298 WeakPolarHBondContact O-CA 3.42Å; I288-F299 HydrophobicContact CB-CD1 4.4Å; I288-F299 HydrophobicContact CB-CD2 4.43Å; I288-F299 HydrophobicContact CB-CE1 3.96Å; I288-F299 HydrophobicContact CB-CE2 4Å; I288-F299 HydrophobicContact CB-CZ 3.75Å; I288-F299 HydrophobicContact CD1-CD2 4.41Å; I288-F299 HydrophobicContact CD1-CE2 3.99Å; I288-F299 HydrophobicContact CG1-CE2 4.3Å; I288-F299 HydrophobicContact CG1-CZ 4.32Å; I288-F299 HydrophobicContact CG2-CE1 3.72Å; I288-F299 HydrophobicContact CG2-CE2 4.38Å; I288-F299 HydrophobicContact CG2-CZ 3.63Å; I288-F299 PolarHBondContact N-O 3.16Å; I288-F299 PolarHBondContact O-N 3.29Å; I288-T301 HydrophobicContact CD1-CG2 3.46Å; I288-T301 VanDerWaalsContact CD1-CG2 3.46Å
289	N	97.7	Very high	94.8	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.8	161.5	-62.9	-16.7	0	0	0	108.5	I281 E282 M296 Q297 H298	I281-N289 WeakPolarHBondContact CA-O 3.39Å; E282-N289 HydrophobicContact CB-CB 4.26Å; E282-N289 PolarHBondContact N-O 2.97Å; E282-N289 PolarHBondContact O-N 3.49Å; N289-M296 HydrophobicContact CB-CG 4.23Å; N289-M296 HydrophobicContact CB-SD 4.08Å; N289-Q297 WeakPolarHBondContact CA-O 3.39Å; N289-H298 PolarHBondContact OD1-ND1 2.83Å
290	L	97.6	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.3	170.2	171.9	63.3	0	0	0	108.5	L247 V265 T267 V279 I281 M296 Q297 F299	L247-L290 HydrophobicContact CB-CD2 4.02Å; L247-L290 HydrophobicContact CD2-CB 4.48Å; L247-L290 HydrophobicContact CD2-CD1 4.28Å; L247-L290 HydrophobicContact CD2-CD2 4.2Å; V265-L290 HydrophobicContact CG1-CD2 4.33Å; T267-L290 HydrophobicContact CG2-CD2 3.65Å; T267-L290 HydrophobicContact CG2-CG 4.13Å; V279-L290 HydrophobicContact CG1-CD1 4.17Å; I281-L290 HydrophobicContact CG1-CD1 3.78Å; L290-M296 WeakPolarHBondContact O-CA 3.36Å; L290-Q297 PolarHBondContact N-O 2.65Å; L290-Q297 PolarHBondContact O-N 2.95Å; L290-F299 HydrophobicContact CB-CE1 3.98Å
291	T	96.7	Very high	94.1	Very high	22 Å²	22	50.3 Å²	50.3	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.4	175.1	-50.6	0	0	0	0	109.2	V279 V280 S295 M296	V279-T291 CarbonylContact C-O 3.59Å; V279-T291 WeakPolarHBondContact CA-O 3.45Å; V280-T291 PolarHBondContact N-O 2.94Å; V280-T291 PolarHBondContact O-N 3.38Å; T291-S295 WeakPolarHBondContact CA-O 3.13Å; T291-M296 HydrophobicContact CG2-CB 4.42Å; T291-M296 WeakPolarHBondContact OG1-CE 3.23Å
292	L	95.9	Very high	93.6	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.9	168.1	170.5	62.8	0	0	0	108.4	F216 L245 T267 G268 L271 H277 S278 V279 R294 S295	F216-L292 HydrophobicContact CE1-CD1 4.42Å; L245-L292 HydrophobicContact CB-CD2 4.03Å; L245-L292 HydrophobicContact CD2-CB 4.34Å; L245-L292 HydrophobicContact CD2-CD1 4.14Å; L245-L292 HydrophobicContact CD2-CD2 4.19Å; L245-L292 HydrophobicContact CD2-CG 4.46Å; T267-L292 HydrophobicContact CG2-CB 3.9Å; T267-L292 HydrophobicContact CG2-CD2 3.91Å; G268-L292 VanDerWaalsContact CA-CD2 3.47Å; L271-L292 HydrophobicContact CD1-CD2 3.82Å; L271-L292 HydrophobicContact CD2-CD1 4.39Å; L271-L292 HydrophobicContact CD2-CD2 4.07Å; H277-L292 HydrophobicContact CB-CD1 4.19Å; S278-L292 CarbonylContact O-C 3.18Å; S278-L292 WeakPolarHBondContact O-CA 3.27Å; V279-L292 HydrophobicContact CG2-CD1 3.91Å; L292-R294 VanDerWaalsContact C-N 3.28Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-S295 PolarHBondContact N-O 3.08Å; L292-S295 PolarHBondContact O-N 2.87Å
293	D	91.8	Very high	92.8	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-86.8	-168.6	-64.2	-34.9	0	0	0	111.5	H277 S278	H277-D293 WeakPolarHBondContact CA-OD1 3.23Å; H277-D293 WeakPolarHBondContact CB-OD1 3.48Å; H277-D293 IonicContact CE1-OD2 3.63Å; H277-D293 IonicContact CG-OD1 3.9Å; H277-D293 IonicContact CG-OD2 3.95Å; H277-D293 IonicContact ND1-OD1 3.9Å; H277-D293 IonicContact ND1-OD2 3.8Å; H277-D293 PolarHBondContact ND1-OD2 3.1Å; S278-D293 PolarHBondContact N-OD1 2.81Å; S278-D293 PolarHBondContact O-N 3.35Å
294	R	82.4	Confident	92.1	Very high	114 Å²	114	56.7 Å²	56.7	43%	0.43	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-11.4	-177.1	-59.8	160	-175.7	-179.8	-4.1	112	H152 P153 L292	H152-R294 VanDerWaalsContact CB-NE 3.33Å; H152-R294 VanDerWaalsContact CB-NH2 3.26Å; H152-R294 PolarHBondContact ND1-NH1 3.02Å; H152-R294 PolarHBondContact O-NH2 3.27Å; P153-R294 PolarHBondContact O-NH2 3.02Å; L292-R294 VanDerWaalsContact C-N 3.28Å; L292-R294 PolarHBondContact O-N 3.46Å
295	S	86.8	Confident	91.7	Very high	53 Å²	53	57 Å²	57	37%	0.371	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	112	-177.4	-172.5	0	0	0	0	109.4	T291 L292	T291-S295 WeakPolarHBondContact CA-O 3.13Å; L292-S295 PolarHBondContact N-O 3.08Å; L292-S295 PolarHBondContact O-N 2.87Å
296	M	90.7	Very high	91.4	Very high	104 Å²	104	60 Å²	60	51%	0.512	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.2	176.4	-175.4	-177.1	-68.7	0	0	109.8	N289 L290 T291	N289-M296 HydrophobicContact CB-CG 4.23Å; N289-M296 HydrophobicContact CB-SD 4.08Å; L290-M296 WeakPolarHBondContact O-CA 3.36Å; T291-M296 HydrophobicContact CG2-CB 4.42Å; T291-M296 WeakPolarHBondContact OG1-CE 3.23Å
297	Q	90.9	Very high	91.5	Very high	66 Å²	66	62.5 Å²	62.5	31%	0.308	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.6	167.9	-75.9	-171.6	-10.5	0	0	109.9	N289 L290	N289-Q297 WeakPolarHBondContact CA-O 3.39Å; L290-Q297 PolarHBondContact N-O 2.65Å; L290-Q297 PolarHBondContact O-N 2.95Å
298	H	93.1	Very high	91.3	Very high	126 Å²	126	61 Å²	61	58%	0.583	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.2	172.1	-174.5	83.9	0	0	0	109.9	S287 I288 N289	S287-H298 PolarHBondContact OG-CE1 3.24Å; S287-H298 PolarHBondContact OG-NE2 2.74Å; I288-H298 WeakPolarHBondContact O-CA 3.42Å; N289-H298 PolarHBondContact OD1-ND1 2.83Å
299	F	93	Very high	91	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	163.4	173.9	65.5	-86.5	0	0	0	112	L247 T263 V265 I288 L290	L247-F299 HydrophobicContact CD2-CE1 4.45Å; L247-F299 HydrophobicContact CD2-CZ 3.92Å; T263-F299 HydrophobicContact CG2-CD2 4.05Å; T263-F299 HydrophobicContact CG2-CE2 3.94Å; V265-F299 HydrophobicContact CB-CD1 4.37Å; V265-F299 HydrophobicContact CB-CE1 4.02Å; V265-F299 HydrophobicContact CB-CZ 4.12Å; V265-F299 HydrophobicContact CG1-CD1 4.21Å; V265-F299 HydrophobicContact CG1-CE1 4.12Å; V265-F299 HydrophobicContact CG2-CD1 3.79Å; V265-F299 HydrophobicContact CG2-CD2 3.67Å; V265-F299 HydrophobicContact CG2-CE1 3.74Å; V265-F299 HydrophobicContact CG2-CE2 3.63Å; V265-F299 HydrophobicContact CG2-CG 3.75Å; V265-F299 HydrophobicContact CG2-CZ 3.66Å; I288-F299 HydrophobicContact CB-CD1 4.4Å; I288-F299 HydrophobicContact CB-CD2 4.43Å; I288-F299 HydrophobicContact CB-CE1 3.96Å; I288-F299 HydrophobicContact CB-CE2 4Å; I288-F299 HydrophobicContact CB-CZ 3.75Å; I288-F299 HydrophobicContact CD1-CD2 4.41Å; I288-F299 HydrophobicContact CD1-CE2 3.99Å; I288-F299 HydrophobicContact CG1-CE2 4.3Å; I288-F299 HydrophobicContact CG1-CZ 4.32Å; I288-F299 HydrophobicContact CG2-CE1 3.72Å; I288-F299 HydrophobicContact CG2-CE2 4.38Å; I288-F299 HydrophobicContact CG2-CZ 3.63Å; I288-F299 PolarHBondContact N-O 3.16Å; I288-F299 PolarHBondContact O-N 3.29Å; L290-F299 HydrophobicContact CB-CE1 3.98Å
300	R	92.4	Very high	90.7	Very high	154 Å²	154	60.7 Å²	60.7	58%	0.581	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.7	173.9	-167	179.3	176.9	106.9	0.4	109.9	R286	R286-R300 HydrophobicContact CB-CG 3.88Å; R286-R300 CarbonylContact O-C 3.56Å; R286-R300 WeakPolarHBondContact O-CA 3.35Å; R286-R300 WeakPolarHBondContact O-CG 3.49Å
301	T	91	Very high	90.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	30%	0.295	C	S	.	.			trans	-69.1	148.2	173.5	51.6	0	0	0	0	112	L249 L251 T263 R286 I288	L249-T301 HydrophobicContact CB-CG2 4.48Å; L249-T301 HydrophobicContact CD2-CG2 3.56Å; L249-T301 HydrophobicContact CG-CG2 4.03Å; L251-T301 HydrophobicContact CD1-CG2 4.16Å; L251-T301 WeakPolarHBondContact CD1-OG1 3.47Å; L251-T301 HydrophobicContact CG-CG2 4.5Å; T263-T301 HydrophobicContact CG2-CG2 4.31Å; T263-T301 VanDerWaalsContact OG1-CA 3.28Å; T263-T301 WeakPolarHBondContact OG1-CA 3.4Å; T263-T301 WeakPolarHBondContact OG1-CB 3.43Å; R286-T301 WeakPolarHBondContact CA-OG1 3.36Å; R286-T301 WeakPolarHBondContact CB-OG1 3.24Å; R286-T301 WeakPolarHBondContact CG-OG1 3.44Å; R286-T301 PolarHBondContact NE-O 3.23Å; R286-T301 VanDerWaalsContact NE-O 3.09Å; R286-T301 PolarHBondContact NH2-O 3.29Å; R286-T301 PolarHBondContact O-N 2.71Å; R286-T301 PolarHBondContact O-OG1 2.8Å; I288-T301 HydrophobicContact CD1-CG2 3.46Å; I288-T301 VanDerWaalsContact CD1-CG2 3.46Å
302	N	87.5	Confident	89.5	Confident	87 Å²	87	66.9 Å²	66.9	47%	0.465	31%	0.311	S	S	.	.	S	Bend	trans	-61.7	167.3	163.3	-61	-32.9	0	0	0	110.8	Y260 H262 T263	Y260-N302 WeakPolarHBondContact O-CB 3.38Å; H262-N302 PolarHBondContact O-ND2 3.35Å; T263-N302 PolarHBondContact OG1-N 3.14Å
303	G	82.6	Confident	89.2	Confident	9 Å²	9	68.3 Å²	68.3	9%	0.093	32%	0.317	C	S	.	.	S	Bend	trans	92.8	-173.9	-178.7	0	0	0	0	0	114.5	R286	R286-G303 PolarHBondContact NE-O 3.25Å; R286-G303 PolarHBondContact NH1-O 2.98Å; R286-G303 PolarHBondContact NH2-O 3.49Å
304	E	81.7	Confident	89.3	Confident	133 Å²	133	65.2 Å²	65.2	62%	0.621	30%	0.3	S	S	*	.	S	Bend	trans	-118	-7	176	-67.4	-177.3	168.3	0	0	112.8	I259	I259-E304 HydrophobicContact CD1-CG 4.19Å; I259-E304 WeakPolarHBondContact CD1-OE1 3.27Å
305	F	88.6	Confident	89.9	Confident	99 Å²	99	60 Å²	60	43%	0.434	28%	0.281	S	S	.	.			trans	-87.7	140.8	-173.8	-56.6	-80.7	0	0	0	112.1	L251 G252 R286	L251-F305 HydrophobicContact CB-CB 4.09Å; L251-F305 WeakPolarHBondContact CD1-O 3.46Å; L251-F305 WeakPolarHBondContact O-CB 3.4Å; L251-F305 WeakPolarHBondContact O-CG 3.5Å; G252-F305 VanDerWaalsContact C-CD2 3.45Å; G252-F305 VanDerWaalsContact O-CD2 3.23Å; G252-F305 WeakPolarHBondContact O-CD2 3.05Å; R286-F305 WeakPolarHBondContact CD-O 2.98Å; R286-F305 WeakPolarHBondContact CG-O 2.91Å
306	D	91.3	Very high	90.3	Very high	69 Å²	69	57.4 Å²	57.4	37%	0.369	26%	0.263	S	S	.	.			trans	-105.9	-12.2	-179.3	-70.1	-51.1	0	0	0	114.1	L208 R283 R286	L208-D306 HydrophobicContact CD2-CB 3.9Å; R283-D306 PolarHBondContact NH2-O 3.2Å; R286-D306 VanDerWaalsContact CG-OD1 3.26Å; R286-D306 WeakPolarHBondContact CG-OD1 3.39Å; R286-D306 PolarHBondContact N-OD1 3.05Å
307	Y	94.3	Very high	90.4	Very high	100 Å²	100	52.5 Å²	52.5	39%	0.392	24%	0.239	S	C	.	.			trans	-99.3	143.3	-177.8	-69.2	-97.7	0	0	0	110.5	K206 T207 L208	K206-Y307 HydrophobicContact CD-CD1 3.92Å; K206-Y307 HydrophobicContact CD-CE1 4.38Å; K206-Y307 HydrophobicContact CD-CG 4.37Å; K206-Y307 HydrophobicContact CG-CD1 3.43Å; K206-Y307 VanDerWaalsContact CG-CD1 3.43Å; K206-Y307 HydrophobicContact CG-CE1 4.08Å; K206-Y307 HydrophobicContact CG-CG 4.13Å; T207-Y307 WeakPolarHBondContact O-CA 3.42Å; L208-Y307 HydrophobicContact CD1-CE1 3.8Å; L208-Y307 WeakPolarHBondContact CD1-OH 3.48Å; L208-Y307 HydrophobicContact CD2-CD1 3.67Å; L208-Y307 HydrophobicContact CD2-CD2 3.68Å; L208-Y307 HydrophobicContact CD2-CE1 3.55Å; L208-Y307 HydrophobicContact CD2-CE2 3.49Å; L208-Y307 VanDerWaalsContact CD2-CE2 3.49Å; L208-Y307 HydrophobicContact CD2-CG 3.77Å; L208-Y307 VanDerWaalsContact CD2-CZ 3.42Å; L208-Y307 HydrophobicContact CG-CD1 3.64Å; L208-Y307 HydrophobicContact CG-CD2 4.49Å; L208-Y307 HydrophobicContact CG-CE1 3.27Å; L208-Y307 HydrophobicContact CG-CE2 4.13Å; L208-Y307 HydrophobicContact CG-CG 4.27Å
308	L	93.9	Very high	90.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.8	166.7	177.4	64.1	0	0	0	108	T207 D234 I236 L249 L251 L310	T207-L308 PolarHBondContact N-O 2.97Å; T207-L308 VanDerWaalsContact N-O 3.13Å; T207-L308 PolarHBondContact O-N 3.3Å; D234-L308 HydrophobicContact CB-CD1 4.38Å; I236-L308 HydrophobicContact CB-CD2 4.34Å; I236-L308 HydrophobicContact CG2-CD2 4.2Å; L249-L308 HydrophobicContact CD1-CD1 3.96Å; L249-L308 HydrophobicContact CD1-CD2 4.41Å; L251-L308 HydrophobicContact CD2-CB 4Å; L251-L308 HydrophobicContact CD2-CD1 3.98Å; L308-L310 HydrophobicContact CD1-CD2 3.85Å; L308-L310 HydrophobicContact CD1-CG 4.35Å; L308-L310 HydrophobicContact CD2-CD1 4.19Å; L308-L310 HydrophobicContact CD2-CD2 4.38Å; L308-L310 HydrophobicContact CD2-CG 4.22Å; L308-L310 HydrophobicContact CG-CD1 4.46Å; L308-L310 HydrophobicContact CG-CD2 4.01Å; L308-L310 HydrophobicContact CG-CG 3.95Å
309	D	92	Very high	90.1	Very high	33 Å²	33	45.5 Å²	45.5	18%	0.176	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	90.9	-178.8	-72.4	-21.2	0	0	0	110.6	M205 K206 G230 D234	M205-D309 CarbonylContact O-C 3.54Å; M205-D309 WeakPolarHBondContact O-CA 3.43Å; K206-D309 VanDerWaalsContact CB-OD1 3.27Å; K206-D309 WeakPolarHBondContact CB-OD1 3.5Å; K206-D309 WeakPolarHBondContact CD-OD1 3.32Å; K206-D309 WeakPolarHBondContact CG-OD1 3.35Å; K206-D309 IonicContact NZ-OD1 3.05Å; K206-D309 IonicContact NZ-OD2 2.74Å; G230-D309 WeakPolarHBondContact CA-O 3.39Å; D234-D309 HydrophobicContact CB-CB 4.48Å; D234-D309 VanDerWaalsContact CB-O 3.31Å; D234-D309 WeakPolarHBondContact CB-O 3.01Å; D234-D309 PolarHBondContact OD2-N 2.76Å
310	L	91.5	Very high	89.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	157.8	176.1	-57.9	-178.6	0	0	0	111.8	F200 M205 I236 L308	F200-L310 HydrophobicContact CE2-CB 4.04Å; F200-L310 HydrophobicContact CE2-CD1 4.49Å; F200-L310 HydrophobicContact CZ-CD1 4.21Å; M205-L310 HydrophobicContact CB-CB 4.46Å; M205-L310 PolarHBondContact N-O 3.17Å; M205-L310 PolarHBondContact O-N 3.49Å; I236-L310 HydrophobicContact CG2-CD1 4.23Å; I236-L310 HydrophobicContact CG2-CD2 4.41Å; L308-L310 HydrophobicContact CD1-CD2 3.85Å; L308-L310 HydrophobicContact CD1-CG 4.35Å; L308-L310 HydrophobicContact CD2-CD1 4.19Å; L308-L310 HydrophobicContact CD2-CD2 4.38Å; L308-L310 HydrophobicContact CD2-CG 4.22Å; L308-L310 HydrophobicContact CG-CD1 4.46Å; L308-L310 HydrophobicContact CG-CD2 4.01Å; L308-L310 HydrophobicContact CG-CG 3.95Å
311	D	84.3	Confident	88.1	Confident	36 Å²	36	48.5 Å²	48.5	19%	0.193	23%	0.23	C	C	.	.			trans	-69	-149	171.5	-77.8	-15.3	0	0	0	111.3	F200 E229 G230 Q231 E313	F200-D311 WeakPolarHBondContact CD2-O 3.49Å; F200-D311 WeakPolarHBondContact CE2-O 3.47Å; E229-D311 WeakPolarHBondContact O-CB 3.38Å; E229-D311 PolarHBondContact O-N 3Å; G230-D311 WeakPolarHBondContact CA-OD1 3.37Å; Q231-D311 WeakPolarHBondContact CG-OD1 3.08Å; Q231-D311 PolarHBondContact N-OD1 3.4Å; D311-E313 VanDerWaalsContact C-N 3.34Å; D311-E313 PolarHBondContact O-N 3.44Å
312	Y	85	Confident	86.3	Confident	117 Å²	117	52.2 Å²	52.2	46%	0.459	26%	0.256	S	S	.	.	S	Bend	trans	-84.5	-4.4	-171.9	63.3	-88.8	0	0	0	114	R199 F200 K203	R199-Y312 CarbonylContact C-O 3.56Å; R199-Y312 VanDerWaalsContact CA-O 3.31Å; R199-Y312 WeakPolarHBondContact CA-O 3.07Å; R199-Y312 HydrophobicContact CG-CD2 4.29Å; F200-Y312 VanDerWaalsContact CD2-C 3.47Å; F200-Y312 PolarHBondContact N-O 3.24Å; K203-Y312 WeakPolarHBondContact O-CB 3.19Å; K203-Y312 PolarHBondContact O-N 3.3Å
313	E	89.7	Confident	84.5	Confident	35 Å²	35	51.4 Å²	51.4	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.3	-178.7	65	-176.1	-151.3	0	0	114.7	Y198 R199 D311	Y198-E313 VanDerWaalsContact O-CA 3.31Å; Y198-E313 WeakPolarHBondContact O-CA 3.28Å; R199-E313 HydrophobicContact CG-CB 4.03Å; R199-E313 IonicContact NE-OE2 3.47Å; R199-E313 PolarHBondContact NE-OE2 3.45Å; D311-E313 VanDerWaalsContact C-N 3.34Å; D311-E313 PolarHBondContact O-N 3.44Å
314	I	93.5	Very high	82.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.7	163.8	-170.8	171.9	0	0	0	107.9	Y198 F200 I212 L226 H227 F316 Y342	Y198-I314 HydrophobicContact CD1-CG2 3.83Å; Y198-I314 HydrophobicContact CG-CG2 4.41Å; Y198-I314 PolarHBondContact N-O 2.76Å; Y198-I314 PolarHBondContact O-N 2.87Å; F200-I314 HydrophobicContact CE1-CB 4.36Å; F200-I314 HydrophobicContact CE1-CG2 3.82Å; F200-I314 HydrophobicContact CZ-CB 3.87Å; F200-I314 HydrophobicContact CZ-CG2 3.87Å; I212-I314 HydrophobicContact CD1-CD1 4.5Å; L226-I314 HydrophobicContact CD1-CD1 4.21Å; H227-I314 WeakPolarHBondContact O-CG1 3.41Å; I314-F316 HydrophobicContact CG2-CE2 4.15Å; I314-F316 HydrophobicContact CG2-CZ 4.48Å; I314-Y342 HydrophobicContact CD1-CD2 3.91Å; I314-Y342 HydrophobicContact CD1-CE2 3.8Å
315	T	93.7	Very high	80.5	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.025	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.2	-173.6	61.8	0	0	0	0	111.8	V195 L196 P197 L226 H227 G318 P320	V195-T315 HydrophobicContact CG1-CG2 4.14Å; L196-T315 WeakPolarHBondContact O-CA 3.34Å; P197-T315 HydrophobicContact CB-CG2 4.2Å; L226-T315 CarbonylContact C-O 3.53Å; L226-T315 WeakPolarHBondContact CA-O 3.35Å; H227-T315 PolarHBondContact N-O 3.26Å; H227-T315 PolarHBondContact O-N 3.08Å; H227-T315 PolarHBondContact O-OG1 2.82Å; T315-G318 PolarHBondContact OG1-O 2.84Å; T315-P320 HydrophobicContact CG2-CG 3.76Å
316	F	95.5	Very high	78.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.8	175.3	-59.6	-88.6	0	0	0	110.4	L196 L214 I225 L226 I314 G318 I340 I347	L196-F316 HydrophobicContact CB-CB 4.4Å; L196-F316 PolarHBondContact N-O 2.89Å; L196-F316 PolarHBondContact O-N 3.36Å; L214-F316 HydrophobicContact CD2-CD1 4.44Å; L214-F316 HydrophobicContact CD2-CE1 4.49Å; I225-F316 CarbonylContact O-C 3.58Å; I225-F316 WeakPolarHBondContact O-CA 3.43Å; L226-F316 HydrophobicContact CB-CD1 3.82Å; L226-F316 HydrophobicContact CB-CE1 4.03Å; L226-F316 HydrophobicContact CD2-CE1 4.46Å; I314-F316 HydrophobicContact CG2-CE2 4.15Å; I314-F316 HydrophobicContact CG2-CZ 4.48Å; F316-G318 VanDerWaalsContact C-N 3.31Å; F316-I340 HydrophobicContact CD1-CG2 3.64Å; F316-I340 HydrophobicContact CD2-CG2 4.39Å; F316-I340 HydrophobicContact CE1-CG2 3.44Å; F316-I340 VanDerWaalsContact CE1-CG2 3.44Å; F316-I340 HydrophobicContact CE2-CG2 4.23Å; F316-I340 HydrophobicContact CG-CG2 4.12Å; F316-I340 HydrophobicContact CZ-CG2 3.76Å; F316-I347 HydrophobicContact CD2-CG2 4.12Å; F316-I347 HydrophobicContact CE2-CG1 4.04Å; F316-I347 HydrophobicContact CE2-CG2 4.06Å; F316-I347 HydrophobicContact CZ-CG1 4.26Å
317	G	93	Very high	76	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	85.1	-5.1	-179	0	0	0	0	0	115.2	V224 I225 N332 F333	V224-G317 CarbonylContact O-C 3.56Å; I225-G317 PolarHBondContact O-N 3.01Å; G317-N332 WeakPolarHBondContact O-CB 3.38Å; G317-F333 PolarHBondContact O-N 3.25Å
318	G	91.1	Very high	73.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	161.3	-172.8	178.4	0	0	0	0	0	114.2	V195 V224 T315 F316 N332	V195-G318 WeakPolarHBondContact CG1-O 3.49Å; V224-G318 WeakPolarHBondContact O-CA 3.26Å; V224-G318 PolarHBondContact O-N 3.36Å; V224-G318 VanDerWaalsContact O-N 3.16Å; T315-G318 PolarHBondContact OG1-O 2.84Å; F316-G318 VanDerWaalsContact C-N 3.31Å; G318-N332 WeakPolarHBondContact CA-OD1 3.45Å
319	I	87.6	Confident	72.5	Confident	45 Å²	45	64.5 Å²	64.5	23%	0.231	38%	0.381	C	S	.	.			trans	-105.7	130	172.3	-51.1	179	0	0	0	107.2	V224 H227 F321 N332	V224-I319 HydrophobicContact CB-CG1 4.38Å; V224-I319 HydrophobicContact CG1-CD1 4.42Å; V224-I319 HydrophobicContact CG1-CG1 3.89Å; V224-I319 HydrophobicContact CG2-CD1 4.24Å; V224-I319 HydrophobicContact CG2-CG1 4.3Å; H227-I319 HydrophobicContact CB-CG1 3.98Å; I319-F321 PolarHBondContact O-N 2.75Å; I319-N332 PolarHBondContact N-OD1 2.76Å
320	P	76.6	Confident	72	Confident	47 Å²	47	67.8 Å²	67.8	31%	0.305	39%	0.391	S	S	.	.			trans	-55.4	141.4	173.4	-21.3	31.8	0	0	0	110.3	V195 T315 S322	V195-P320 HydrophobicContact CG1-CG 4.36Å; T315-P320 HydrophobicContact CG2-CG 3.76Å; P320-S322 PolarHBondContact O-N 2.77Å
321	F	66	Low	71.9	Confident	199 Å²	199	73.4 Å²	73.4	87%	0.873	42%	0.415	S	S	*	.			trans	-58.1	100.3	179.3	-175.9	-95.5	0	0	0	110.5	I319	I319-F321 PolarHBondContact O-N 2.75Å
322	S	54.2	Low	72.3	Confident	80 Å²	80	73.8 Å²	73.8	56%	0.559	42%	0.418	S	S	*	.			trans	-80.9	120.8	164.7	-179.2	0	0	0	0	106.2	P320 K324	P320-S322 PolarHBondContact O-N 2.77Å; S322-K324 PolarHBondContact O-N 3.35Å
323	G	48	Very low	72.8	Confident	69 Å²	69	68.3 Å²	68.3	71%	0.711	40%	0.396	S	S	*	.	S	Bend	trans	-62.7	17	-179.2	0	0	0	0	0	115.7
324	K	43.2	Very low	73	Confident	166 Å²	166	71.5 Å²	71.5	72%	0.722	41%	0.41	S	S	*	.	S	Bend	trans	-98.9	126.4	170.5	-74.4	-178.5	178.6	176.7	0	109.4	S322 S326	S322-K324 PolarHBondContact O-N 3.35Å; K324-S326 PolarHBondContact O-N 2.82Å
325	P	38.5	Very low	73.1	Confident	134 Å²	134	72 Å²	72	87%	0.87	42%	0.415	S	S	*	.			trans	-71.4	82.9	169.6	30.4	-31.1	0	0	0	108.4	S327	P325-S327 PolarHBondContact O-N 3.42Å
326	S	40.2	Very low	73.2	Confident	83 Å²	83	71.9 Å²	71.9	58%	0.58	41%	0.414	S	S	*	.			trans	-66.7	132	165.3	63.1	0	0	0	0	107.8	K324 S328	K324-S326 PolarHBondContact O-N 2.82Å; S326-S328 PolarHBondContact O-N 3.17Å
327	S	44.6	Very low	73.3	Confident	135 Å²	135	71.9 Å²	71.9	94%	0.944	41%	0.414	S	S	*	.	S	Bend	trans	-64.8	0.7	-171.3	76.7	0	0	0	0	115.5	P325	P325-S327 PolarHBondContact O-N 3.42Å
328	S	51.2	Low	73.4	Confident	56 Å²	56	71.9 Å²	71.9	39%	0.392	41%	0.414	S	S	.	.	S	Bend	trans	-97.8	107.2	167.1	61.3	0	0	0	0	109.1	S326 R330	S326-S328 PolarHBondContact O-N 3.17Å; S328-R330 PolarHBondContact O-N 3.33Å
329	S	63.4	Low	73.6	Confident	113 Å²	113	74 Å²	74	79%	0.79	43%	0.428	S	S	*	.			trans	-65.4	60.8	169.5	53.3	0	0	0	0	111.3	K331	S329-K331 PolarHBondContact O-N 3.41Å
330	R	80.8	Confident	74.1	Confident	102 Å²	102	71.8 Å²	71.8	39%	0.385	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-65.2	121.7	178.3	-68.3	-173	-171.6	-172.8	-2.2	108.5	V224 S328	V224-R330 HydrophobicContact CG2-CB 4.12Å; S328-R330 PolarHBondContact O-N 3.33Å
331	K	90.3	Very high	75.1	Confident	120 Å²	120	71.5 Å²	71.5	52%	0.522	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-79.9	142.1	174.1	-65.1	174.3	-174.1	154.4	0	109.3	E222 G223 V224 S329	E222-K331 HydrophobicContact CB-CD 4.3Å; E222-K331 WeakPolarHBondContact OE2-CE 3.26Å; E222-K331 IonicContact OE2-NZ 2.75Å; E222-K331 PolarHBondContact OE2-NZ 2.82Å; G223-K331 CarbonylContact C-O 3.47Å; G223-K331 WeakPolarHBondContact CA-O 3.45Å; V224-K331 PolarHBondContact N-O 3.39Å; S329-K331 PolarHBondContact O-N 3.41Å
332	N	92.5	Very high	76.5	Confident	45 Å²	45	62.3 Å²	62.3	24%	0.241	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-74.2	155.4	169.4	-73.4	-20	0	0	0	110	G192 G317 G318 I319	G192-N332 WeakPolarHBondContact O-CB 3.06Å; G192-N332 PolarHBondContact O-ND2 2.61Å; G317-N332 WeakPolarHBondContact O-CB 3.38Å; G318-N332 WeakPolarHBondContact CA-OD1 3.45Å; I319-N332 PolarHBondContact N-OD1 2.76Å
333	F	95	Very high	78.4	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.6	134.8	-179.2	177	-91.9	0	0	0	111.4	F190 G192 F216 T218 V224 I225 L240 G317 G335 M337	F190-F333 HydrophobicContact CB-CD1 3.89Å; F190-F333 HydrophobicContact CB-CE1 4.42Å; F190-F333 WeakPolarHBondContact CB-O 3.39Å; F190-F333 HydrophobicContact CD2-CD1 4.27Å; F190-F333 HydrophobicContact CD2-CE1 4.4Å; F190-F333 HydrophobicContact CG-CD1 4.21Å; G192-F333 WeakPolarHBondContact CA-O 3.34Å; G192-F333 PolarHBondContact N-O 3.3Å; F216-F333 HydrophobicContact CB-CE2 4.26Å; F216-F333 HydrophobicContact CB-CZ 3.91Å; F216-F333 AromaticContact CD2-CE2 3.91Å; F216-F333 HydrophobicContact CD2-CE2 3.91Å; F216-F333 HydrophobicContact CD2-CZ 4.19Å; F216-F333 HydrophobicContact CG-CE2 4.37Å; F216-F333 HydrophobicContact CG-CZ 4.46Å; T218-F333 HydrophobicContact CG2-CE2 4Å; V224-F333 WeakPolarHBondContact O-CB 3.34Å; V224-F333 PolarHBondContact O-N 2.91Å; I225-F333 HydrophobicContact CD1-CD2 4.45Å; I225-F333 HydrophobicContact CD1-CE2 4.48Å; I225-F333 HydrophobicContact CG1-CD2 3.65Å; I225-F333 HydrophobicContact CG1-CE2 4.1Å; I225-F333 HydrophobicContact CG1-CG 4.3Å; L240-F333 HydrophobicContact CD1-CD2 4.35Å; L240-F333 HydrophobicContact CD1-CE2 4.16Å; G317-F333 PolarHBondContact O-N 3.25Å; F333-G335 VanDerWaalsContact CE1-C 3.49Å; F333-M337 HydrophobicContact CB-CE 4.09Å; F333-M337 HydrophobicContact CD1-CE 3.22Å; F333-M337 HydrophobicContact CD1-CG 4.46Å; F333-M337 HydrophobicContact CD2-CE 4.17Å; F333-M337 HydrophobicContact CE1-CE 3.53Å; F333-M337 HydrophobicContact CE1-CG 3.87Å; F333-M337 HydrophobicContact CE2-CE 4.43Å; F333-M337 HydrophobicContact CG-CE 3.57Å; F333-M337 HydrophobicContact CZ-CE 4.14Å; F333-M337 HydrophobicContact CZ-CG 4.36Å
334	K	94.5	Very high	80.6	Confident	103 Å²	103	61 Å²	61	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.9	173.2	172	-177.2	167.7	-152.2	0	108.1	F190 T218 E220	F190-K334 CarbonylContact O-C 3.58Å; F190-K334 WeakPolarHBondContact O-CA 3.18Å; T218-K334 WeakPolarHBondContact CB-O 3.44Å; T218-K334 PolarHBondContact OG1-O 2.83Å; E220-K334 HydrophobicContact CG-CB 4.13Å; E220-K334 HydrophobicContact CG-CD 4.14Å; E220-K334 HydrophobicContact CG-CG 4.34Å; E220-K334 WeakPolarHBondContact OE1-CE 3.29Å; E220-K334 IonicContact OE1-NZ 2.75Å; E220-K334 PolarHBondContact OE1-NZ 3.24Å
335	G	95.2	Very high	83	Confident	11 Å²	11	55.2 Å²	55.2	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-160.4	-170.1	0	0	0	0	0	111.5	F190 K217 F333	F190-G335 PolarHBondContact N-O 2.94Å; F190-G335 PolarHBondContact O-N 3.19Å; K217-G335 CarbonylContact O-C 3.58Å; K217-G335 VanDerWaalsContact O-CA 3.28Å; K217-G335 WeakPolarHBondContact O-CA 3.47Å; F333-G335 VanDerWaalsContact CE1-C 3.49Å
336	C	95.9	Very high	85.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.5	-176.5	-55.7	0	0	0	0	110.5	V187 I188 F216 K217 W276 C368	V187-C336 HydrophobicContact CG1-CB 3.94Å; I188-C336 CarbonylContact O-C 3.53Å; I188-C336 WeakPolarHBondContact O-CA 3.47Å; F216-C336 CarbonylContact C-O 3.5Å; F216-C336 VanDerWaalsContact CA-O 3.24Å; F216-C336 WeakPolarHBondContact CA-O 3.32Å; K217-C336 HydrophobicContact CB-CB 4.45Å; K217-C336 PolarHBondContact N-O 2.98Å; K217-C336 PolarHBondContact O-N 3.24Å; W276-C336 HydrophobicContact CH2-CB 3.77Å; W276-C336 HydrophobicContact CZ2-CB 4.39Å; W276-C336 HydrophobicContact CZ3-CB 4.35Å; C336-C368 HydrophobicContact CB-CB 3.9Å; C336-C368 WeakPolarHBondContact CB-SG 3.02Å; C336-C368 WeakPolarHBondContact SG-CA 3.19Å; C336-C368 WeakPolarHBondContact SG-CB 3.46Å; C336-C368 CovalentContact SG-SG 2.03Å; C336-C368 PolarHBondContact SG-SG 3.34Å
337	M	96.9	Very high	88.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	169.9	-56.8	-176.7	-168.2	0	0	110.9	V187 I188 F190 N215 F216 I225 F333 I340	V187-M337 CarbonylContact C-O 3.43Å; V187-M337 WeakPolarHBondContact CA-O 3.46Å; I188-M337 PolarHBondContact N-O 2.8Å; I188-M337 PolarHBondContact O-N 2.9Å; F190-M337 HydrophobicContact CD2-CB 4.43Å; F190-M337 HydrophobicContact CD2-CE 4.28Å; F190-M337 HydrophobicContact CD2-CG 4Å; F190-M337 HydrophobicContact CD2-SD 4.26Å; F190-M337 HydrophobicContact CE2-CB 3.93Å; F190-M337 HydrophobicContact CE2-CE 4.24Å; F190-M337 HydrophobicContact CE2-CG 3.78Å; F190-M337 HydrophobicContact CE2-SD 3.74Å; F190-M337 HydrophobicContact CZ-SD 4.23Å; N215-M337 CarbonylContact O-C 3.56Å; N215-M337 WeakPolarHBondContact O-CA 3.42Å; F216-M337 HydrophobicContact CB-CG 4.15Å; I225-M337 HydrophobicContact CB-CE 4.16Å; I225-M337 HydrophobicContact CG1-CE 4.29Å; I225-M337 HydrophobicContact CG2-CE 3.72Å; I225-M337 HydrophobicContact CG2-SD 4.23Å; F333-M337 HydrophobicContact CB-CE 4.09Å; F333-M337 HydrophobicContact CD1-CE 3.22Å; F333-M337 HydrophobicContact CD1-CG 4.46Å; F333-M337 HydrophobicContact CD2-CE 4.17Å; F333-M337 HydrophobicContact CE1-CE 3.53Å; F333-M337 HydrophobicContact CE1-CG 3.87Å; F333-M337 HydrophobicContact CE2-CE 4.43Å; F333-M337 HydrophobicContact CG-CE 3.57Å; F333-M337 HydrophobicContact CZ-CE 4.14Å; F333-M337 HydrophobicContact CZ-CG 4.36Å; M337-I340 HydrophobicContact CB-CD1 3.88Å; M337-I340 HydrophobicContact CB-CG1 4.09Å; M337-I340 HydrophobicContact SD-CD1 4.05Å
338	E	96.1	Very high	90.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165.1	171.9	67	178.1	-152.1	0	0	110.6	R92 Y183 A185 D186 V187 N215 W276 I340	R92-E338 IonicContact CZ-OE1 3.83Å; R92-E338 IonicContact CZ-OE2 2.77Å; R92-E338 IonicContact NH1-OE1 3.85Å; R92-E338 PolarHBondContact NH1-OE1 2.77Å; R92-E338 IonicContact NH1-OE2 3.18Å; R92-E338 PolarHBondContact NH1-OE2 3.28Å; R92-E338 IonicContact NH2-OE1 3.68Å; R92-E338 PolarHBondContact NH2-OE1 3.35Å; R92-E338 IonicContact NH2-OE2 2.8Å; Y183-E338 PolarHBondContact OH-OE1 3.24Å; A185-E338 HydrophobicContact CB-CB 4.11Å; A185-E338 HydrophobicContact CB-CG 4.23Å; D186-E338 WeakPolarHBondContact O-CA 3.4Å; D186-E338 WeakPolarHBondContact O-CB 3.44Å; V187-E338 HydrophobicContact CG2-CB 4.15Å; N215-E338 HydrophobicContact CB-CG 3.7Å; N215-E338 PolarHBondContact N-O 2.82Å; N215-E338 PolarHBondContact ND2-OE1 3.2Å; N215-E338 PolarHBondContact O-N 3.19Å; W276-E338 HydrophobicContact CE3-CG 4.05Å; W276-E338 HydrophobicContact CH2-CB 4.08Å; W276-E338 HydrophobicContact CH2-CG 3.91Å; W276-E338 HydrophobicContact CZ3-CB 4.17Å; W276-E338 HydrophobicContact CZ3-CG 3.66Å; E338-I340 PolarHBondContact O-N 3.18Å; E338-I340 VanDerWaalsContact O-N 3.12Å
339	S	95.1	Very high	92.5	Very high	43 Å²	43	41.7 Å²	41.7	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	33.6	174.2	-57	0	0	0	0	114	A213 N341	A213-S339 VanDerWaalsContact O-O 3.09Å; S339-N341 PolarHBondContact O-N 3.34Å
340	I	97.6	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	116.4	178.4	-51.9	174	0	0	0	108.3	I188 A213 L214 F316 M337 E338 N346 I347 T348	I188-I340 HydrophobicContact CD1-CD1 4.38Å; A213-I340 CarbonylContact O-C 3.58Å; A213-I340 WeakPolarHBondContact O-CA 3.39Å; L214-I340 HydrophobicContact CB-CB 4.43Å; L214-I340 HydrophobicContact CB-CG1 4.1Å; F316-I340 HydrophobicContact CD1-CG2 3.64Å; F316-I340 HydrophobicContact CD2-CG2 4.39Å; F316-I340 HydrophobicContact CE1-CG2 3.44Å; F316-I340 VanDerWaalsContact CE1-CG2 3.44Å; F316-I340 HydrophobicContact CE2-CG2 4.23Å; F316-I340 HydrophobicContact CG-CG2 4.12Å; F316-I340 HydrophobicContact CZ-CG2 3.76Å; M337-I340 HydrophobicContact CB-CD1 3.88Å; M337-I340 HydrophobicContact CB-CG1 4.09Å; M337-I340 HydrophobicContact SD-CD1 4.05Å; E338-I340 PolarHBondContact O-N 3.18Å; E338-I340 VanDerWaalsContact O-N 3.12Å; I340-N346 CarbonylContact O-C 3.58Å; I340-I347 HydrophobicContact CB-CB 4.09Å; I340-I347 HydrophobicContact CG2-CB 3.78Å; I340-I347 HydrophobicContact CG2-CG1 4.05Å; I340-I347 HydrophobicContact CG2-CG2 4.25Å; I340-I347 PolarHBondContact O-N 2.88Å; I340-T348 WeakPolarHBondContact CB-OG1 3.33Å; I340-T348 PolarHBondContact N-OG1 3.22Å; I340-T348 PolarHBondContact O-N 2.85Å
341	N	97.6	Very high	94.3	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.1	-178	-178.3	81.6	0	0	0	109.9	I212 A213 S339 G344 V345	I212-N341 WeakPolarHBondContact CA-O 3.38Å; A213-N341 HydrophobicContact CB-CB 4.42Å; A213-N341 PolarHBondContact N-O 3.15Å; A213-N341 PolarHBondContact O-N 3.41Å; S339-N341 PolarHBondContact O-N 3.34Å; N341-G344 PolarHBondContact ND2-N 3.45Å; N341-G344 VanDerWaalsContact OD1-C 3.25Å; N341-G344 WeakPolarHBondContact OD1-CA 3.38Å; N341-V345 WeakPolarHBondContact CA-O 3.08Å; N341-V345 PolarHBondContact OD1-N 3.33Å; N341-V345 PolarHBondContact OD1-O 3.46Å
342	Y	96.2	Very high	94.2	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.1	174.2	174.9	-97.3	0	0	0	108.9	Y198 F200 D210 I212 I314 G344 V345	Y198-Y342 HydrophobicContact CD1-CD1 4.07Å; Y198-Y342 AromaticContact CE1-CD1 3.79Å; Y198-Y342 HydrophobicContact CE1-CD1 3.79Å; Y198-Y342 HydrophobicContact CE1-CE1 4.25Å; F200-Y342 HydrophobicContact CD1-CE1 4.37Å; F200-Y342 HydrophobicContact CE1-CD1 4.35Å; F200-Y342 AromaticContact CE1-CE1 3.57Å; F200-Y342 HydrophobicContact CE1-CE1 3.57Å; F200-Y342 AromaticContact CE1-CZ 3.98Å; F200-Y342 HydrophobicContact CZ-CE1 4.35Å; D210-Y342 PolarHBondContact OD1-OH 3.34Å; I212-Y342 HydrophobicContact CD1-CD2 4.03Å; I212-Y342 HydrophobicContact CD1-CE2 4.11Å; I212-Y342 HydrophobicContact CG1-CD2 3.88Å; I212-Y342 HydrophobicContact CG1-CE2 4.24Å; I314-Y342 HydrophobicContact CD1-CD2 3.91Å; I314-Y342 HydrophobicContact CD1-CE2 3.8Å; Y342-G344 PolarHBondContact O-N 2.93Å; Y342-V345 PolarHBondContact N-O 2.86Å; Y342-V345 WeakPolarHBondContact O-CB 3.33Å; Y342-V345 PolarHBondContact O-N 2.86Å
343	N	94.4	Very high	94.1	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	42.5	177.9	-67.1	-15.5	0	0	0	113.4	D210 V211 V345	D210-N343 WeakPolarHBondContact CA-OD1 3.45Å; D210-N343 PolarHBondContact OD1-ND2 2.94Å; V211-N343 PolarHBondContact N-OD1 2.81Å; V211-N343 PolarHBondContact O-N 2.88Å; V211-N343 PolarHBondContact O-OD1 2.97Å; N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 PolarHBondContact O-N 2.79Å
344	G	93.5	Very high	93.6	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	0.3	179.8	0	0	0	0	0	114.8	N341 Y342	N341-G344 PolarHBondContact ND2-N 3.45Å; N341-G344 VanDerWaalsContact OD1-C 3.25Å; N341-G344 WeakPolarHBondContact OD1-CA 3.38Å; Y342-G344 PolarHBondContact O-N 2.93Å
345	V	94.5	Very high	93.1	Very high	46 Å²	46	48.3 Å²	48.3	28%	0.279	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.2	173.8	-173.6	0	0	0	0	109.4	Y198 N341 Y342 N343 I347 L350	Y198-V345 HydrophobicContact CE2-CG1 4.2Å; N341-V345 WeakPolarHBondContact CA-O 3.08Å; N341-V345 PolarHBondContact OD1-N 3.33Å; N341-V345 PolarHBondContact OD1-O 3.46Å; Y342-V345 PolarHBondContact N-O 2.86Å; Y342-V345 WeakPolarHBondContact O-CB 3.33Å; Y342-V345 PolarHBondContact O-N 2.86Å; N343-V345 VanDerWaalsContact C-N 3.29Å; N343-V345 PolarHBondContact O-N 2.79Å; V345-I347 HydrophobicContact CB-CD1 4.25Å; V345-I347 HydrophobicContact CG1-CD1 3.93Å; V345-I347 PolarHBondContact O-N 2.9Å; V345-L350 HydrophobicContact CG1-CD1 3.57Å; V345-L350 HydrophobicContact CG1-CG 4.47Å
346	N	94.4	Very high	92.6	Very high	78 Å²	78	48.9 Å²	48.9	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	95.4	173.9	-172.6	-28.8	0	0	0	110.1	I340 T348 D349 L350	I340-N346 CarbonylContact O-C 3.58Å; N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 PolarHBondContact O-N 3Å; N346-T348 WeakPolarHBondContact OD1-CB 3.36Å; N346-T348 PolarHBondContact OD1-N 3.09Å; N346-D349 HydrophobicContact CB-CB 4.12Å; N346-D349 PolarHBondContact O-N 2.97Å; N346-D349 PolarHBondContact OD1-N 2.88Å; N346-L350 WeakPolarHBondContact O-CG 3.31Å; N346-L350 PolarHBondContact O-N 2.85Å
347	I	94.6	Very high	91.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-35.8	-178.4	-54.5	-54.5	0	0	0	110.6	L196 Y198 F316 I340 V345 D349 L350 A351 L356	L196-I347 HydrophobicContact CD2-CG2 3.88Å; Y198-I347 HydrophobicContact CD1-CD1 3.93Å; Y198-I347 HydrophobicContact CD2-CD1 3.57Å; Y198-I347 HydrophobicContact CE1-CD1 4.22Å; Y198-I347 HydrophobicContact CE2-CD1 3.89Å; Y198-I347 HydrophobicContact CG-CD1 3.59Å; F316-I347 HydrophobicContact CD2-CG2 4.12Å; F316-I347 HydrophobicContact CE2-CG1 4.04Å; F316-I347 HydrophobicContact CE2-CG2 4.06Å; F316-I347 HydrophobicContact CZ-CG1 4.26Å; I340-I347 HydrophobicContact CB-CB 4.09Å; I340-I347 HydrophobicContact CG2-CB 3.78Å; I340-I347 HydrophobicContact CG2-CG1 4.05Å; I340-I347 HydrophobicContact CG2-CG2 4.25Å; I340-I347 PolarHBondContact O-N 2.88Å; V345-I347 HydrophobicContact CB-CD1 4.25Å; V345-I347 HydrophobicContact CG1-CD1 3.93Å; V345-I347 PolarHBondContact O-N 2.9Å; I347-D349 PolarHBondContact O-N 3.39Å; I347-L350 HydrophobicContact CD1-CD1 4.46Å; I347-L350 PolarHBondContact O-N 2.91Å; I347-A351 PolarHBondContact O-N 2.87Å; I347-L356 HydrophobicContact CG2-CD1 3.73Å
348	T	92.2	Very high	91.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-45.5	177.3	-53.9	0	0	0	0	112	D186 I188 I340 N346 L350 A351 R352	D186-T348 HydrophobicContact CB-CG2 3.43Å; D186-T348 VanDerWaalsContact CB-CG2 3.43Å; D186-T348 VanDerWaalsContact O-CG2 3.23Å; D186-T348 WeakPolarHBondContact O-CG2 3.16Å; I188-T348 HydrophobicContact CD1-CG2 4.07Å; I188-T348 HydrophobicContact CG1-CG2 4.14Å; I340-T348 WeakPolarHBondContact CB-OG1 3.33Å; I340-T348 PolarHBondContact N-OG1 3.22Å; I340-T348 PolarHBondContact O-N 2.85Å; N346-T348 VanDerWaalsContact C-N 3.29Å; N346-T348 PolarHBondContact O-N 3Å; N346-T348 WeakPolarHBondContact OD1-CB 3.36Å; N346-T348 PolarHBondContact OD1-N 3.09Å; T348-L350 PolarHBondContact O-N 3.04Å; T348-A351 PolarHBondContact O-N 2.96Å; T348-R352 WeakPolarHBondContact O-CB 3.31Å; T348-R352 PolarHBondContact O-N 3.36Å
349	D	91.3	Very high	90	Very high	44 Å²	44	60.9 Å²	60.9	24%	0.235	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-40.6	176	177.5	72.5	0	0	0	111.6	N346 I347 R352 R353	N346-D349 HydrophobicContact CB-CB 4.12Å; N346-D349 PolarHBondContact O-N 2.97Å; N346-D349 PolarHBondContact OD1-N 2.88Å; I347-D349 PolarHBondContact O-N 3.39Å; D349-R352 PolarHBondContact O-N 3.48Å; D349-R353 WeakPolarHBondContact O-CB 3.45Å; D349-R353 VanDerWaalsContact O-CG 3.29Å; D349-R353 WeakPolarHBondContact O-CG 3.48Å; D349-R353 PolarHBondContact O-N 2.77Å; D349-R353 IonicContact OD1-CZ 3.93Å; D349-R353 VanDerWaalsContact OD1-CZ 3.24Å; D349-R353 IonicContact OD1-NE 3.99Å; D349-R353 PolarHBondContact OD1-NE 3.06Å; D349-R353 IonicContact OD1-NH2 3.1Å; D349-R353 PolarHBondContact OD1-NH2 2.69Å; D349-R353 IonicContact OD2-CZ 3.7Å; D349-R353 VanDerWaalsContact OD2-CZ 3.29Å; D349-R353 IonicContact OD2-NE 2.79Å; D349-R353 PolarHBondContact OD2-NE 2.87Å; D349-R353 IonicContact OD2-NH2 3.64Å; D349-R353 PolarHBondContact OD2-NH2 2.82Å
350	L	91.8	Very high	88.7	Confident	35 Å²	35	62.9 Å²	62.9	18%	0.183	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-44.5	175.9	-67.6	179.9	0	0	0	112.1	Y198 V345 N346 I347 T348 R353 K354 K355 L356	Y198-L350 HydrophobicContact CD2-CD1 4.36Å; Y198-L350 HydrophobicContact CE2-CD1 3.97Å; V345-L350 HydrophobicContact CG1-CD1 3.57Å; V345-L350 HydrophobicContact CG1-CG 4.47Å; N346-L350 WeakPolarHBondContact O-CG 3.31Å; N346-L350 PolarHBondContact O-N 2.85Å; I347-L350 HydrophobicContact CD1-CD1 4.46Å; I347-L350 PolarHBondContact O-N 2.91Å; T348-L350 PolarHBondContact O-N 3.04Å; L350-R353 PolarHBondContact O-N 2.87Å; L350-K354 PolarHBondContact O-N 3.41Å; L350-K355 HydrophobicContact CB-CB 4.43Å; L350-K355 HydrophobicContact CD2-CB 4.28Å; L350-K355 HydrophobicContact CD2-CD 3.87Å; L350-K355 WeakPolarHBondContact O-CB 3.18Å; L350-K355 PolarHBondContact O-N 2.94Å; L350-L356 HydrophobicContact CB-CD1 3.75Å; L350-L356 HydrophobicContact CB-CG 3.89Å
351	A	90.7	Very high	86.7	Confident	2 Å²	2	70.3 Å²	70.3	2%	0.017	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-45.3	176.7	0	0	0	0	0	111.5	I188 L196 I347 T348 R353 K354 L356 L364	I188-A351 HydrophobicContact CD1-CB 3.77Å; L196-A351 HydrophobicContact CD1-CB 4.19Å; L196-A351 HydrophobicContact CD2-CB 4.03Å; I347-A351 PolarHBondContact O-N 2.87Å; T348-A351 PolarHBondContact O-N 2.96Å; A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 2.84Å; A351-K354 WeakPolarHBondContact O-CA 3.43Å; A351-K354 PolarHBondContact O-N 3.41Å; A351-L356 HydrophobicContact CB-CD1 4.4Å; A351-L364 HydrophobicContact CB-CD1 4.47Å
352	R	87.6	Confident	85	Confident	121 Å²	121	70.2 Å²	70.2	46%	0.457	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-36	179.5	-166.7	172.5	-173.5	-143.8	5.3	113.4	D186 T348 D349 K354 F366	D186-R352 VanDerWaalsContact CG-NH1 3.3Å; D186-R352 WeakPolarHBondContact OD1-CD 3.12Å; D186-R352 IonicContact OD1-CZ 2.73Å; D186-R352 IonicContact OD1-NE 2.83Å; D186-R352 PolarHBondContact OD1-NE 2.55Å; D186-R352 VanDerWaalsContact OD1-NE 3.11Å; D186-R352 IonicContact OD1-NH1 3.69Å; D186-R352 PolarHBondContact OD1-NH1 3.45Å; D186-R352 IonicContact OD1-NH2 2.79Å; D186-R352 WeakPolarHBondContact OD2-CD 3.49Å; D186-R352 IonicContact OD2-CZ 2.94Å; D186-R352 IonicContact OD2-NE 3.06Å; D186-R352 IonicContact OD2-NH1 3.72Å; D186-R352 PolarHBondContact OD2-NH1 2.92Å; D186-R352 VanDerWaalsContact OD2-NH1 3.12Å; T348-R352 WeakPolarHBondContact O-CB 3.31Å; T348-R352 PolarHBondContact O-N 3.36Å; D349-R352 PolarHBondContact O-N 3.48Å; R352-K354 PolarHBondContact O-N 3.05Å; R352-F366 VanDerWaalsContact CA-CE1 3.43Å; R352-F366 VanDerWaalsContact CA-CZ 3.46Å; R352-F366 HydrophobicContact CB-CD1 4.12Å; R352-F366 HydrophobicContact CB-CE1 3.71Å; R352-F366 HydrophobicContact CB-CZ 4.2Å; R352-F366 HydrophobicContact CG-CD1 4.03Å; R352-F366 HydrophobicContact CG-CE1 4.02Å; R352-F366 HydrophobicContact CG-CG 4.4Å; R352-F366 HydrophobicContact CG-CZ 4.38Å
353	R	90.3	Very high	83.8	Confident	155 Å²	155	77.2 Å²	77.2	59%	0.585	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	7.3	173.2	-65.2	-179.6	-165.1	-150.6	14.2	113.5	D349 L350 A351 K355	D349-R353 WeakPolarHBondContact O-CB 3.45Å; D349-R353 VanDerWaalsContact O-CG 3.29Å; D349-R353 WeakPolarHBondContact O-CG 3.48Å; D349-R353 PolarHBondContact O-N 2.77Å; D349-R353 IonicContact OD1-CZ 3.93Å; D349-R353 VanDerWaalsContact OD1-CZ 3.24Å; D349-R353 IonicContact OD1-NE 3.99Å; D349-R353 PolarHBondContact OD1-NE 3.06Å; D349-R353 IonicContact OD1-NH2 3.1Å; D349-R353 PolarHBondContact OD1-NH2 2.69Å; D349-R353 IonicContact OD2-CZ 3.7Å; D349-R353 VanDerWaalsContact OD2-CZ 3.29Å; D349-R353 IonicContact OD2-NE 2.79Å; D349-R353 PolarHBondContact OD2-NE 2.87Å; D349-R353 IonicContact OD2-NH2 3.64Å; D349-R353 PolarHBondContact OD2-NH2 2.82Å; L350-R353 PolarHBondContact O-N 2.87Å; A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 2.84Å; R353-K355 HydrophobicContact CB-CD 4.35Å; R353-K355 HydrophobicContact CB-CG 4.11Å; R353-K355 PolarHBondContact O-N 2.93Å
354	K	84.5	Confident	83	Confident	171 Å²	171	75.6 Å²	75.6	74%	0.743	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	36.4	-177.1	-56.7	-174.1	176.5	-171.3	0	113	L350 A351 R352	L350-K354 PolarHBondContact O-N 3.41Å; A351-K354 WeakPolarHBondContact O-CA 3.43Å; A351-K354 PolarHBondContact O-N 3.41Å; R352-K354 PolarHBondContact O-N 3.05Å
355	K	85.1	Confident	82.7	Confident	138 Å²	138	74.7 Å²	74.7	60%	0.6	38%	0.384	S	S	*	.			trans	-93.5	-4	175.3	-66.1	-175.3	174.6	-177.9	0	113.2	L350 R353	L350-K355 HydrophobicContact CB-CB 4.43Å; L350-K355 HydrophobicContact CD2-CB 4.28Å; L350-K355 HydrophobicContact CD2-CD 3.87Å; L350-K355 WeakPolarHBondContact O-CB 3.18Å; L350-K355 PolarHBondContact O-N 2.94Å; R353-K355 HydrophobicContact CB-CD 4.35Å; R353-K355 HydrophobicContact CB-CG 4.11Å; R353-K355 PolarHBondContact O-N 2.93Å
356	L	84.6	Confident	82.5	Confident	24 Å²	24	76 Å²	76	13%	0.126	39%	0.386	C	S	.	.	S	Bend	trans	-121.9	136.1	173.8	-61.9	173.6	0	0	0	108.5	L196 Y198 I347 L350 A351	L196-L356 HydrophobicContact CD1-CB 3.99Å; L196-L356 HydrophobicContact CD1-CD1 4.33Å; L196-L356 HydrophobicContact CD2-CD1 4.41Å; L196-L356 HydrophobicContact CG-CD1 4.43Å; Y198-L356 HydrophobicContact CD2-CD2 4Å; I347-L356 HydrophobicContact CG2-CD1 3.73Å; L350-L356 HydrophobicContact CB-CD1 3.75Å; L350-L356 HydrophobicContact CB-CG 3.89Å; A351-L356 HydrophobicContact CB-CD1 4.4Å
357	E	80.7	Confident	82.3	Confident	162 Å²	162	75.7 Å²	75.7	76%	0.757	39%	0.391	S	S	*	.			trans	-98.4	117.3	176.3	-69.2	-176.6	165.6	0	0	109.2	P197	P197-E357 WeakPolarHBondContact CD-O 3.35Å; P197-E357 VanDerWaalsContact CG-O 3.24Å; P197-E357 WeakPolarHBondContact CG-O 3.26Å
358	P	80.1	Confident	82	Confident	34 Å²	34	77.6 Å²	77.6	22%	0.221	40%	0.403	C	S	.	.			trans	-67.6	157.2	175.8	26.9	-32.1	0	0	0	111.9	V194 N360 L364	V194-P358 HydrophobicContact CG1-CB 3.85Å; P358-N360 VanDerWaalsContact C-N 3.29Å; P358-N360 PolarHBondContact O-N 2.74Å; P358-L364 HydrophobicContact CB-CD1 4.25Å; P358-L364 HydrophobicContact CB-CG 4.38Å; P358-L364 HydrophobicContact CG-CD1 4.1Å; P358-L364 HydrophobicContact CG-CG 4.24Å
359	S	73.6	Confident	81.7	Confident	57 Å²	57	82 Å²	82	40%	0.399	43%	0.43	S	S	.	.	S	Bend	trans	-59.9	-35.8	-176.7	62.5	0	0	0	0	114	V195	V195-S359 PolarHBondContact N-OG 2.88Å; V195-S359 PolarHBondContact O-N 3.35Å; V195-S359 PolarHBondContact O-OG 2.9Å
360	N	67.2	Low	81.2	Confident	85 Å²	85	82.5 Å²	82.5	46%	0.455	43%	0.431	S	S	.	.	S	Bend	trans	-109.7	144	176.1	-71.8	-3.1	0	0	0	109.5	H193 P358 G362	H193-N360 PolarHBondContact O-ND2 2.79Å; P358-N360 VanDerWaalsContact C-N 3.29Å; P358-N360 PolarHBondContact O-N 2.74Å; N360-G362 PolarHBondContact O-N 2.62Å
361	V	56.8	Low	80.5	Confident	156 Å²	156	82.9 Å²	82.9	95%	0.945	44%	0.435	S	S	*	.	S	Bend	trans	-65.6	10.6	-174.7	-170.7	0	0	0	0	113.8
362	G	61.7	Low	79.7	Confident	38 Å²	38	93.1 Å²	93.1	39%	0.392	48%	0.475	S	S	.	.	S	Bend	trans	-69.2	140.3	174	0	0	0	0	0	112.1	N360 L364	N360-G362 PolarHBondContact O-N 2.62Å; G362-L364 PolarHBondContact O-N 2.78Å
363	N	69.9	Low	79.7	Confident	152 Å²	152	89.4 Å²	89.4	81%	0.813	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-68	120.9	169.4	-77.6	-36.6	0	0	0	109.4	S365	N363-S365 PolarHBondContact O-N 3.06Å
364	L	77.8	Confident	79.8	Confident	24 Å²	24	83.1 Å²	83.1	13%	0.126	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-56	128.4	169.2	-74.7	158.3	0	0	0	109.9	I188 V194 L196 A351 P358 G362 F366	I188-L364 HydrophobicContact CG2-CD2 3.83Å; V194-L364 HydrophobicContact CG1-CD2 3.65Å; V194-L364 HydrophobicContact CG1-CG 4.48Å; L196-L364 HydrophobicContact CD1-CD1 3.91Å; A351-L364 HydrophobicContact CB-CD1 4.47Å; P358-L364 HydrophobicContact CB-CD1 4.25Å; P358-L364 HydrophobicContact CB-CG 4.38Å; P358-L364 HydrophobicContact CG-CD1 4.1Å; P358-L364 HydrophobicContact CG-CG 4.24Å; G362-L364 PolarHBondContact O-N 2.78Å; L364-F366 HydrophobicContact CB-CE2 4.2Å; L364-F366 HydrophobicContact CB-CZ 4Å; L364-F366 WeakPolarHBondContact O-CE2 3.44Å
365	S	88.1	Confident	80.3	Confident	44 Å²	44	75.1 Å²	75.1	31%	0.308	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-86.5	132.6	172.6	172	0	0	0	0	109.8	N189 N363 S367	N189-S365 PolarHBondContact N-O 2.9Å; N363-S365 PolarHBondContact O-N 3.06Å; S365-S367 PolarHBondContact OG-N 2.92Å; S365-S367 PolarHBondContact OG-O 2.82Å; S365-S367 PolarHBondContact OG-OG 3.05Å
366	F	90.2	Very high	80.9	Confident	73 Å²	73	68.6 Å²	68.6	32%	0.32	38%	0.382	S	S	.	.			trans	-103.1	26.1	179.3	-60.9	-81.1	0	0	0	112.9	V187 I188 R352 L364	V187-F366 CarbonylContact O-C 3.54Å; V187-F366 WeakPolarHBondContact O-CA 3.21Å; V187-F366 WeakPolarHBondContact O-CD1 3.36Å; I188-F366 HydrophobicContact CG1-CD1 4.18Å; I188-F366 HydrophobicContact CG1-CE1 4.07Å; R352-F366 VanDerWaalsContact CA-CE1 3.43Å; R352-F366 VanDerWaalsContact CA-CZ 3.46Å; R352-F366 HydrophobicContact CB-CD1 4.12Å; R352-F366 HydrophobicContact CB-CE1 3.71Å; R352-F366 HydrophobicContact CB-CZ 4.2Å; R352-F366 HydrophobicContact CG-CD1 4.03Å; R352-F366 HydrophobicContact CG-CE1 4.02Å; R352-F366 HydrophobicContact CG-CG 4.4Å; R352-F366 HydrophobicContact CG-CZ 4.38Å; L364-F366 HydrophobicContact CB-CE2 4.2Å; L364-F366 HydrophobicContact CB-CZ 4Å; L364-F366 WeakPolarHBondContact O-CE2 3.44Å
367	S	88.8	Confident	81.4	Confident	73 Å²	73	68.5 Å²	68.5	51%	0.51	38%	0.381	S	S	.	.	S	Bend	trans	-135.1	138.7	175.1	58.3	0	0	0	0	109.3	N189 S365	N189-S367 WeakPolarHBondContact CB-O 3.25Å; S365-S367 PolarHBondContact OG-N 2.92Å; S365-S367 PolarHBondContact OG-O 2.82Å; S365-S367 PolarHBondContact OG-OG 3.05Å
368	C	89.2	Confident	82.1	Confident	40 Å²	40	60.8 Å²	60.8	27%	0.27	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-78.6	130.7	178.7	-166	0	0	0	0	111.2	V187 K217 C336	V187-C368 HydrophobicContact CG1-CB 4.12Å; K217-C368 WeakPolarHBondContact CE-SG 3.33Å; C336-C368 HydrophobicContact CB-CB 3.9Å; C336-C368 WeakPolarHBondContact CB-SG 3.02Å; C336-C368 WeakPolarHBondContact SG-CA 3.19Å; C336-C368 WeakPolarHBondContact SG-CB 3.46Å; C336-C368 CovalentContact SG-SG 2.03Å; C336-C368 PolarHBondContact SG-SG 3.34Å
369	V	85.4	Confident	82.6	Confident	94 Å²	94	61.6 Å²	61.6	57%	0.57	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-78.7	132.9	174.8	-178.3	0	0	0	0	109.2
370	E	80.7	Confident	83.3	Confident	54 Å²	54	61.3 Å²	61.3	25%	0.252	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-92.8	130.1	176.5	-166.5	67.3	176.5	0	0	110.4	T120 K217 H274	T120-E370 VanDerWaalsContact CG2-CD 3.42Å; T120-E370 HydrophobicContact CG2-CG 4.15Å; T120-E370 WeakPolarHBondContact CG2-OE1 3.39Å; T120-E370 WeakPolarHBondContact CG2-OE2 3.3Å; T120-E370 PolarHBondContact OG1-OE1 3.29Å; T120-E370 VanDerWaalsContact OG1-OE1 3.09Å; K217-E370 IonicContact NZ-OE2 2.85Å; K217-E370 PolarHBondContact NZ-OE2 3.3Å; H274-E370 IonicContact CD2-OE1 3.38Å; H274-E370 IonicContact CD2-OE2 3.9Å; H274-E370 IonicContact NE2-OE1 3.13Å; H274-E370 IonicContact NE2-OE2 2.62Å; H274-E370 PolarHBondContact NE2-OE2 2.95Å
371	P	76.6	Confident	84.4	Confident	43 Å²	43	61.2 Å²	61.2	28%	0.279	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-71.9	153.3	178	30.1	-34.2	0	0	0	111.1	H274 T373	H274-P371 VanDerWaalsContact CD2-CD 3.42Å; H274-P371 WeakPolarHBondContact CD2-CD 3.25Å; H274-P371 WeakPolarHBondContact CE1-CD 3.31Å; H274-P371 WeakPolarHBondContact NE2-CD 3.13Å; P371-T373 VanDerWaalsContact C-N 3.31Å; P371-T373 PolarHBondContact O-N 3.29Å
372	Y	75.4	Confident	86.1	Confident	218 Å²	218	53.8 Å²	53.8	86%	0.855	31%	0.306	S	S	*	.			trans	-93.4	55.8	173.3	-70.1	-81.7	0	0	0	111
373	T	87.4	Confident	87.6	Confident	43 Å²	43	53.3 Å²	53.3	26%	0.264	29%	0.292	S	S	.	.			trans	-120.6	138.5	173.3	54.6	0	0	0	0	110	P371 L523	P371-T373 VanDerWaalsContact C-N 3.31Å; P371-T373 PolarHBondContact O-N 3.29Å; T373-L523 HydrophobicContact CG2-CD2 4.01Å; T373-L523 HydrophobicContact CG2-CG 4.28Å
374	V	92.4	Very high	88.7	Confident	22 Å²	22	46 Å²	46	13%	0.133	25%	0.254	C	S	.	.			trans	-122.4	94.7	177	-176.1	0	0	0	0	106.9	L533 Y534 I549 D550	V374-L533 HydrophobicContact CB-CB 4.42Å; V374-L533 HydrophobicContact CB-CD1 4.08Å; V374-L533 HydrophobicContact CG1-CB 4.05Å; V374-L533 HydrophobicContact CG1-CD1 4.18Å; V374-L533 VanDerWaalsContact O-CD1 3.23Å; V374-L533 WeakPolarHBondContact O-CD1 3.33Å; V374-Y534 HydrophobicContact CG2-CD2 4.37Å; V374-Y534 HydrophobicContact CG2-CE2 3.46Å; V374-Y534 VanDerWaalsContact CG2-CE2 3.46Å; V374-Y534 WeakPolarHBondContact CG2-OH 3.38Å; V374-I549 HydrophobicContact CG1-CG2 3.9Å; V374-D550 HydrophobicContact CG1-CB 3.88Å
375	P	95.5	Very high	89.5	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.026	26%	0.255	C	S	.	.			trans	-72.5	147	179	28.5	-32.5	0	0	0	110.8	M521 D550 M551 C552	P375-M521 CarbonylContact C-O 3.47Å; P375-M521 WeakPolarHBondContact CA-O 3.31Å; P375-D550 VanDerWaalsContact O-CA 3.24Å; P375-D550 WeakPolarHBondContact O-CA 3.47Å; P375-D550 PolarHBondContact O-N 2.79Å; P375-M551 PolarHBondContact O-N 2.96Å; P375-M551 VanDerWaalsContact O-N 3.1Å; P375-C552 HydrophobicContact CB-CB 3.96Å; P375-C552 HydrophobicContact CG-CB 4.33Å
376	V	96.4	Very high	89.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.4	175.1	-174.1	0	0	0	0	108.6	F378 L384 C520 M521 L533 V547 I549	V376-F378 HydrophobicContact CB-CD2 4.46Å; V376-F378 HydrophobicContact CB-CE2 3.74Å; V376-F378 HydrophobicContact CB-CZ 4.36Å; V376-F378 HydrophobicContact CG1-CD2 4.16Å; V376-F378 HydrophobicContact CG1-CE2 3.57Å; V376-F378 HydrophobicContact CG1-CZ 3.89Å; V376-F378 WeakPolarHBondContact O-CD2 3.06Å; V376-L384 HydrophobicContact CG1-CD2 4.44Å; V376-L384 HydrophobicContact CG2-CD2 4.48Å; V376-C520 CarbonylContact O-C 3.52Å; V376-C520 VanDerWaalsContact O-CA 3.23Å; V376-C520 WeakPolarHBondContact O-CA 3.23Å; V376-M521 PolarHBondContact N-O 2.83Å; V376-M521 PolarHBondContact O-N 3.28Å; V376-L533 HydrophobicContact CG2-CD1 3.55Å; V376-L533 HydrophobicContact CG2-CD2 3.97Å; V376-L533 HydrophobicContact CG2-CG 4.33Å; V376-V547 HydrophobicContact CG1-CB 4Å; V376-V547 HydrophobicContact CG1-CG1 4.3Å; V376-I549 HydrophobicContact CG1-CG1 4.2Å; V376-I549 HydrophobicContact CG2-CG1 4.37Å
377	F	96	Very high	89.9	Confident	22 Å²	22	43.7 Å²	43.7	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.9	177.5	176.3	-107.4	0	0	0	111	V547 S548 M551 A553 W573	F377-V547 VanDerWaalsContact O-CA 3.32Å; F377-V547 WeakPolarHBondContact O-CA 3.44Å; F377-S548 PolarHBondContact N-O 3.19Å; F377-S548 PolarHBondContact O-N 3.17Å; F377-M551 HydrophobicContact CB-CE 4.47Å; F377-M551 WeakPolarHBondContact CB-O 3.34Å; F377-M551 HydrophobicContact CD1-CE 4.01Å; F377-M551 HydrophobicContact CG-CE 4.38Å; F377-M551 PolarHBondContact N-O 3.33Å; F377-A553 HydrophobicContact CD2-CB 3.95Å; F377-A553 HydrophobicContact CE1-CB 4.35Å; F377-A553 VanDerWaalsContact CE2-C 3.47Å; F377-A553 HydrophobicContact CE2-CB 3.72Å; F377-A553 VanDerWaalsContact CE2-O 3.29Å; F377-A553 WeakPolarHBondContact CE2-O 3.47Å; F377-A553 HydrophobicContact CG-CB 4.31Å; F377-A553 HydrophobicContact CZ-CB 3.95Å; F377-W573 HydrophobicContact CD2-CH2 4.17Å; F377-W573 HydrophobicContact CD2-CZ2 4.16Å; F377-W573 AromaticContact CE2-CH2 3.54Å; F377-W573 HydrophobicContact CE2-CH2 3.54Å; F377-W573 AromaticContact CE2-CZ2 3.23Å; F377-W573 HydrophobicContact CE2-CZ2 3.23Å; F377-W573 HydrophobicContact CZ-CH2 4.35Å; F377-W573 AromaticContact CZ-CZ2 3.58Å; F377-W573 HydrophobicContact CZ-CZ2 3.58Å
378	F	95.6	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135	179.9	-65.6	-104.3	0	0	0	110.5	V376 L384 F498 F517 Q518 G519 M521 V547	V376-F378 HydrophobicContact CB-CD2 4.46Å; V376-F378 HydrophobicContact CB-CE2 3.74Å; V376-F378 HydrophobicContact CB-CZ 4.36Å; V376-F378 HydrophobicContact CG1-CD2 4.16Å; V376-F378 HydrophobicContact CG1-CE2 3.57Å; V376-F378 HydrophobicContact CG1-CZ 3.89Å; V376-F378 WeakPolarHBondContact O-CD2 3.06Å; F378-L384 HydrophobicContact CE1-CB 3.83Å; F378-L384 HydrophobicContact CZ-CB 3.92Å; F378-L384 HydrophobicContact CZ-CD2 4.11Å; F378-F498 HydrophobicContact CE1-CB 4.39Å; F378-F498 WeakPolarHBondContact CE1-O 3.15Å; F378-F498 HydrophobicContact CZ-CB 4.25Å; F378-F517 HydrophobicContact CB-CD1 3.82Å; F378-F517 HydrophobicContact CB-CE1 4.25Å; F378-F517 WeakPolarHBondContact CB-O 3.46Å; F378-F517 HydrophobicContact CD2-CD1 4.14Å; F378-F517 HydrophobicContact CD2-CE1 4.08Å; F378-F517 AromaticContact CG-CD1 3.93Å; F378-F517 HydrophobicContact CG-CD1 3.93Å; F378-F517 HydrophobicContact CG-CE1 4.31Å; F378-Q518 WeakPolarHBondContact O-CA 3.4Å; F378-G519 PolarHBondContact N-O 2.94Å; F378-G519 PolarHBondContact O-N 3.45Å; F378-G519 VanDerWaalsContact O-N 3.12Å; F378-M521 HydrophobicContact CD2-CG 4.28Å; F378-M521 HydrophobicContact CE2-CB 3.88Å; F378-M521 HydrophobicContact CE2-CG 3.82Å; F378-M521 HydrophobicContact CE2-SD 3.96Å; F378-M521 HydrophobicContact CZ-SD 4.05Å; F378-V547 HydrophobicContact CD1-CG1 3.75Å; F378-V547 HydrophobicContact CE1-CG1 3.83Å; F378-V547 HydrophobicContact CG-CG1 4.28Å; F378-V547 HydrophobicContact CZ-CG1 4.42Å
379	N	90.6	Very high	90.1	Very high	51 Å²	51	45.1 Å²	45.1	27%	0.273	24%	0.238	S	C	.	.			trans	-106.6	-178.5	170.4	81.1	20.3	0	0	0	111.2	T381 S382 N546	N379-T381 PolarHBondContact O-N 3.12Å; N379-T381 PolarHBondContact OD1-N 3.11Å; N379-T381 PolarHBondContact OD1-OG1 3.1Å; N379-S382 PolarHBondContact N-OG 2.94Å; N379-S382 WeakPolarHBondContact O-CB 3.27Å; N379-S382 PolarHBondContact O-N 3.23Å; N379-S382 VanDerWaalsContact O-N 3.09Å; N379-S382 PolarHBondContact O-OG 3.46Å; N379-S382 PolarHBondContact OD1-N 2.79Å; N379-S382 PolarHBondContact OD1-OG 2.71Å; N379-S382 VanDerWaalsContact OD1-OG 3.09Å; N379-N546 PolarHBondContact ND2-O 2.8Å
380	A	88.6	Confident	90.3	Very high	52 Å²	52	44.5 Å²	44.5	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.5	-172.3	0	0	0	0	0	115.8	S516 Q518	A380-S516 WeakPolarHBondContact O-CB 3.1Å; A380-Q518 HydrophobicContact CB-CG 4.17Å
381	T	89.1	Confident	90.7	Very high	82 Å²	82	46 Å²	46	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	13.5	-178	59.1	0	0	0	0	111.7	N379 N546	N379-T381 PolarHBondContact O-N 3.12Å; N379-T381 PolarHBondContact OD1-N 3.11Å; N379-T381 PolarHBondContact OD1-OG1 3.1Å; T381-N546 PolarHBondContact OG1-ND2 3.09Å
382	S	92.4	Very high	91.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.243	C	C	.	.			trans	-77.3	143.3	-175.4	-69.2	0	0	0	0	112	N379 G499 A545 N546	N379-S382 PolarHBondContact N-OG 2.94Å; N379-S382 WeakPolarHBondContact O-CB 3.27Å; N379-S382 PolarHBondContact O-N 3.23Å; N379-S382 VanDerWaalsContact O-N 3.09Å; N379-S382 PolarHBondContact O-OG 3.46Å; N379-S382 PolarHBondContact OD1-N 2.79Å; N379-S382 PolarHBondContact OD1-OG 2.71Å; N379-S382 VanDerWaalsContact OD1-OG 3.09Å; S382-G499 CarbonylContact O-C 3.56Å; S382-A545 VanDerWaalsContact CA-O 3.31Å; S382-A545 WeakPolarHBondContact CA-O 3.37Å; S382-N546 VanDerWaalsContact OG-C 3.27Å; S382-N546 PolarHBondContact OG-O 2.71Å
383	Y	92.9	Very high	92.2	Very high	27 Å²	27	41.9 Å²	41.9	11%	0.106	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152	159.8	76.2	-90.4	0	0	0	110.2	E385 F498 G500 L502 S543 F544 A545	Y383-E385 HydrophobicContact CD2-CB 4.45Å; Y383-E385 HydrophobicContact CE2-CB 4.33Å; Y383-F498 WeakPolarHBondContact CA-O 3.34Å; Y383-G500 VanDerWaalsContact CB-C 3.47Å; Y383-G500 VanDerWaalsContact CB-O 3.31Å; Y383-G500 WeakPolarHBondContact CB-O 3.13Å; Y383-L502 HydrophobicContact CD1-CD1 4.45Å; Y383-L502 HydrophobicContact CE1-CD1 3.55Å; Y383-S543 PolarHBondContact OH-OG 2.96Å; Y383-F544 VanDerWaalsContact O-CA 3.29Å; Y383-F544 WeakPolarHBondContact O-CA 3.11Å; Y383-F544 WeakPolarHBondContact O-CB 3.38Å; Y383-A545 HydrophobicContact CD1-CB 3.77Å; Y383-A545 HydrophobicContact CE1-CB 3.31Å; Y383-A545 PolarHBondContact N-O 2.79Å; Y383-A545 PolarHBondContact O-N 3.37Å; Y383-A545 VanDerWaalsContact O-N 3.12Å
384	L	94.4	Very high	92.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	110.4	173.7	178.8	69.9	0	0	0	109.2	V376 F378 V386 F498 I524 L533 V536 F544	V376-L384 HydrophobicContact CG1-CD2 4.44Å; V376-L384 HydrophobicContact CG2-CD2 4.48Å; F378-L384 HydrophobicContact CE1-CB 3.83Å; F378-L384 HydrophobicContact CZ-CB 3.92Å; F378-L384 HydrophobicContact CZ-CD2 4.11Å; L384-V386 HydrophobicContact CD2-CG1 4.23Å; L384-V386 HydrophobicContact CG-CG1 3.98Å; L384-F498 HydrophobicContact CB-CB 4.21Å; L384-F498 PolarHBondContact N-O 3.18Å; L384-F498 PolarHBondContact O-N 2.78Å; L384-I524 HydrophobicContact CD2-CD1 3.96Å; L384-L533 HydrophobicContact CD2-CD2 3.92Å; L384-V536 HydrophobicContact CD1-CG1 3.65Å; L384-F544 HydrophobicContact CD1-CB 3.91Å
385	E	94.1	Very high	92.7	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.6	174.7	-179.5	-171.6	162.3	0	0	109.6	Y383 K495 Y496 F497 G542 S543	Y383-E385 HydrophobicContact CD2-CB 4.45Å; Y383-E385 HydrophobicContact CE2-CB 4.33Å; E385-K495 WeakPolarHBondContact OE1-CD 3.2Å; E385-K495 WeakPolarHBondContact OE1-CE 3.49Å; E385-K495 IonicContact OE1-NZ 3.79Å; E385-K495 PolarHBondContact OE1-NZ 2.88Å; E385-Y496 WeakPolarHBondContact CA-O 3.27Å; E385-F497 HydrophobicContact CB-CD1 3.95Å; E385-F497 HydrophobicContact CB-CE1 3.88Å; E385-F497 HydrophobicContact CG-CD1 4.12Å; E385-F497 HydrophobicContact CG-CE1 3.68Å; E385-F497 HydrophobicContact CG-CZ 4.21Å; E385-G542 VanDerWaalsContact O-CA 3.23Å; E385-G542 WeakPolarHBondContact O-CA 3.5Å; E385-S543 WeakPolarHBondContact CA-O 3.03Å; E385-S543 WeakPolarHBondContact CB-O 3.36Å; E385-S543 PolarHBondContact N-O 3.3Å; E385-S543 PolarHBondContact O-N 2.87Å; E385-S543 VanDerWaalsContact O-N 3.15Å; E385-S543 WeakPolarHBondContact OE2-CB 3.06Å
386	V	94.5	Very high	92.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.9	177.2	-54.9	0	0	0	0	110.6	L384 Y496 F498 V526 V531 V536	L384-V386 HydrophobicContact CD2-CG1 4.23Å; L384-V386 HydrophobicContact CG-CG1 3.98Å; V386-Y496 PolarHBondContact N-O 2.85Å; V386-Y496 PolarHBondContact O-N 2.74Å; V386-F498 HydrophobicContact CG2-CD2 3.98Å; V386-F498 HydrophobicContact CG2-CE2 3.6Å; V386-V526 HydrophobicContact CG2-CG2 3.92Å; V386-V531 HydrophobicContact CB-CG1 4.25Å; V386-V531 HydrophobicContact CB-CG2 4.43Å; V386-V531 HydrophobicContact CG1-CG1 3.95Å; V386-V531 HydrophobicContact CG2-CG2 4.33Å; V386-V536 HydrophobicContact CG1-CG2 4.5Å
387	P	92	Very high	92.8	Very high	61 Å²	61	41.5 Å²	41.5	40%	0.396	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	138.4	-179.4	30.1	-35.5	0	0	0	111.5	P541	P387-P541 HydrophobicContact CB-CB 4.4Å; P387-P541 HydrophobicContact CG-CB 4.11Å; P387-P541 HydrophobicContact CG-CG 4.01Å
388	G	90.7	Very high	92.8	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	22%	0.223	C	C	.	.			trans	-102	173.5	170.5	0	0	0	0	0	113	E494	G388-E494 PolarHBondContact N-O 3.11Å
389	R	91.1	Very high	93	Very high	122 Å²	122	40.9 Å²	40.9	46%	0.46	22%	0.224	S	C	.	.			trans	-102.4	111.7	171.8	-66.4	-180	174.7	177.6	-1	109.1	Q392 T492 D527	R389-Q392 HydrophobicContact CB-CG 4.22Å; R389-T492 WeakPolarHBondContact O-CB 3.39Å; R389-T492 PolarHBondContact O-OG1 3.49Å; R389-D527 HydrophobicContact CB-CB 4.48Å; R389-D527 PolarHBondContact N-OD2 3.16Å
390	L	90.6	Very high	93.3	Very high	82 Å²	82	40.4 Å²	40.4	43%	0.429	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	144.8	-177.5	-170.4	65.3	0	0	0	112.7	A416 E494	L390-A416 HydrophobicContact CD1-CB 3.89Å; L390-E494 HydrophobicContact CB-CG 4.37Å; L390-E494 HydrophobicContact CD1-CG 3.76Å; L390-E494 HydrophobicContact CD2-CG 4.29Å; L390-E494 HydrophobicContact CG-CG 4.35Å
391	N	88.6	Confident	93.8	Very high	86 Å²	86	37.9 Å²	37.9	46%	0.46	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	36.5	170	-63.5	-30	0	0	0	115.7	T492	N391-T492 PolarHBondContact N-O 3.18Å
392	Q	92.2	Very high	94.2	Very high	65 Å²	65	34.2 Å²	34.2	30%	0.304	18%	0.176	S	C	.	.			trans	-92.2	143.1	166	-54.8	-159.8	-19.6	0	0	111.1	R389 L394 K491 T492	R389-Q392 HydrophobicContact CB-CG 4.22Å; Q392-L394 PolarHBondContact O-N 2.95Å; Q392-K491 VanDerWaalsContact O-CA 3.31Å; Q392-K491 WeakPolarHBondContact O-CA 3.35Å; Q392-T492 WeakPolarHBondContact CA-OG1 3.15Å; Q392-T492 HydrophobicContact CB-CG2 3.98Å; Q392-T492 VanDerWaalsContact CB-OG1 3.31Å; Q392-T492 WeakPolarHBondContact CB-OG1 3.38Å; Q392-T492 PolarHBondContact N-OG1 2.83Å; Q392-T492 PolarHBondContact O-N 3.13Å
393	D	91.6	Very high	94.4	Very high	109 Å²	109	34.2 Å²	34.2	58%	0.583	18%	0.176	S	C	*	.	S	Bend	trans	-83.2	7.4	-179.7	-55.8	-36.2	0	0	0	113.3
394	L	94	Very high	94.6	Very high	49 Å²	49	33.9 Å²	33.9	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.4	178.4	-176.8	64.3	0	0	0	108.9	Q392 L464 K466 T492	Q392-L394 PolarHBondContact O-N 2.95Å; L394-L464 HydrophobicContact CD1-CD1 3.59Å; L394-L464 HydrophobicContact CD1-CD2 4.17Å; L394-L464 HydrophobicContact CD1-CG 3.74Å; L394-L464 HydrophobicContact CD2-CD1 4.06Å; L394-L464 HydrophobicContact CG-CD1 4Å; L394-K466 HydrophobicContact CD1-CB 3.89Å; L394-K466 HydrophobicContact CD1-CD 4.24Å; L394-K466 HydrophobicContact CD1-CG 4.35Å; L394-T492 VanDerWaalsContact O-CG2 3.27Å; L394-T492 WeakPolarHBondContact O-CG2 3.41Å
395	F	94.9	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.1	169.9	-177.8	-81.2	0	0	0	108.6	V397 F415 V422 F463 L464 A465 V490 T492 Y496	F395-V397 HydrophobicContact CD1-CG2 4.34Å; F395-V397 HydrophobicContact CE1-CB 4.32Å; F395-V397 HydrophobicContact CE1-CG2 3.52Å; F395-V397 HydrophobicContact CZ-CG2 3.68Å; F395-F415 HydrophobicContact CB-CE1 4.27Å; F395-F415 HydrophobicContact CD2-CD1 4.2Å; F395-F415 AromaticContact CD2-CE1 3.75Å; F395-F415 HydrophobicContact CD2-CE1 3.75Å; F395-F415 HydrophobicContact CE2-CE1 4.26Å; F395-F415 HydrophobicContact CG-CE1 4.04Å; F395-V422 HydrophobicContact CD1-CG1 4.42Å; F395-V422 HydrophobicContact CD2-CG1 4.37Å; F395-V422 HydrophobicContact CE1-CG1 3.65Å; F395-V422 HydrophobicContact CE2-CG1 3.59Å; F395-V422 HydrophobicContact CZ-CG1 3.17Å; F395-F463 AromaticContact CD1-CD1 3.85Å; F395-F463 HydrophobicContact CD1-CD1 3.85Å; F395-F463 AromaticContact CD1-CE1 3.67Å; F395-F463 HydrophobicContact CD1-CE1 3.67Å; F395-F463 AromaticContact CE1-CD1 3.77Å; F395-F463 HydrophobicContact CE1-CD1 3.77Å; F395-F463 AromaticContact CE1-CE1 3.81Å; F395-F463 HydrophobicContact CE1-CE1 3.81Å; F395-L464 CarbonylContact O-C 3.49Å; F395-L464 WeakPolarHBondContact O-CA 3.44Å; F395-A465 HydrophobicContact CB-CB 4.3Å; F395-A465 PolarHBondContact N-O 2.97Å; F395-A465 PolarHBondContact O-N 3.04Å; F395-V490 HydrophobicContact CB-CG1 3.43Å; F395-V490 VanDerWaalsContact CB-CG1 3.43Å; F395-T492 HydrophobicContact CB-CG2 4.18Å; F395-T492 HydrophobicContact CD2-CG2 4.23Å; F395-Y496 HydrophobicContact CD2-CE1 4.02Å; F395-Y496 WeakPolarHBondContact CD2-OH 3.49Å; F395-Y496 HydrophobicContact CE1-CE1 4.26Å; F395-Y496 HydrophobicContact CE2-CD1 4.16Å; F395-Y496 AromaticContact CE2-CE1 3.19Å; F395-Y496 HydrophobicContact CE2-CE1 3.19Å; F395-Y496 AromaticContact CE2-CZ 3.6Å; F395-Y496 WeakPolarHBondContact CE2-OH 3.1Å; F395-Y496 HydrophobicContact CZ-CD1 4.05Å; F395-Y496 AromaticContact CZ-CE1 3.33Å; F395-Y496 HydrophobicContact CZ-CE1 3.33Å
396	S	96.4	Very high	94.6	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.9	-179	-176.9	0	0	0	0	109.9	D527 D528	S396-D527 PolarHBondContact O-N 3.21Å; S396-D528 VanDerWaalsContact CB-OD1 3.24Å; S396-D528 WeakPolarHBondContact CB-OD1 3.34Å; S396-D528 PolarHBondContact OG-OD1 3.48Å
397	V	97.7	Very high	94.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.4	174.5	175.5	0	0	0	0	108.7	F395 F399 V411 F463 Y496 F498 Q525	F395-V397 HydrophobicContact CD1-CG2 4.34Å; F395-V397 HydrophobicContact CE1-CB 4.32Å; F395-V397 HydrophobicContact CE1-CG2 3.52Å; F395-V397 HydrophobicContact CZ-CG2 3.68Å; V397-F399 HydrophobicContact CG1-CD1 3.83Å; V397-F399 HydrophobicContact CG1-CE1 3.98Å; V397-V411 HydrophobicContact CG1-CG1 4.42Å; V397-V411 HydrophobicContact CG1-CG2 4.2Å; V397-F463 PolarHBondContact N-O 3.01Å; V397-F463 PolarHBondContact O-N 3.31Å; V397-Y496 HydrophobicContact CG2-CD1 3.73Å; V397-Y496 HydrophobicContact CG2-CE1 3.47Å; V397-Y496 VanDerWaalsContact CG2-CE1 3.47Å; V397-F498 HydrophobicContact CG1-CE1 4.25Å; V397-F498 HydrophobicContact CG1-CZ 4.02Å; V397-Q525 WeakPolarHBondContact CA-O 3.48Å
398	S	97.8	Very high	94.7	Very high	7 Å²	7	36 Å²	36	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.5	175.1	175.6	0	0	0	0	110.3	V461 R462 Q525	S398-V461 CarbonylContact C-O 3.47Å; S398-V461 WeakPolarHBondContact CA-O 3.17Å; S398-V461 PolarHBondContact OG-O 2.89Å; S398-R462 WeakPolarHBondContact OG-CG 3.48Å; S398-Q525 PolarHBondContact N-O 3.05Å; S398-Q525 PolarHBondContact O-N 2.69Å
399	F	98.1	Very high	94.9	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	163.8	176.1	57.2	-83	0	0	0	110.3	V397 F401 L410 V411 V461 F498 M521 I524	V397-F399 HydrophobicContact CG1-CD1 3.83Å; V397-F399 HydrophobicContact CG1-CE1 3.98Å; F399-F401 HydrophobicContact CD2-CB 4.26Å; F399-F401 HydrophobicContact CD2-CD1 4.46Å; F399-F401 HydrophobicContact CE2-CB 4.23Å; F399-F401 AromaticContact CE2-CD1 3.97Å; F399-F401 HydrophobicContact CE2-CD1 3.97Å; F399-F401 HydrophobicContact CE2-CG 4.41Å; F399-L410 HydrophobicContact CE2-CB 4.22Å; F399-L410 HydrophobicContact CE2-CD1 4.25Å; F399-L410 HydrophobicContact CZ-CB 3.85Å; F399-L410 HydrophobicContact CZ-CD1 4.09Å; F399-L410 HydrophobicContact CZ-CG 4.49Å; F399-V411 HydrophobicContact CD1-CG2 4.18Å; F399-V411 HydrophobicContact CE1-CG2 3.43Å; F399-V411 VanDerWaalsContact CE1-CG2 3.43Å; F399-V411 HydrophobicContact CZ-CG2 3.8Å; F399-V461 HydrophobicContact CD1-CB 4.48Å; F399-V461 HydrophobicContact CE1-CB 4.05Å; F399-V461 HydrophobicContact CE1-CG1 4.09Å; F399-V461 HydrophobicContact CE2-CB 4.19Å; F399-V461 HydrophobicContact CE2-CG2 4.1Å; F399-V461 HydrophobicContact CZ-CB 3.89Å; F399-V461 HydrophobicContact CZ-CG1 4.07Å; F399-V461 HydrophobicContact CZ-CG2 4.09Å; F399-V461 PolarHBondContact N-O 2.6Å; F399-V461 PolarHBondContact O-N 2.98Å; F399-F498 AromaticContact CD1-CE1 3.84Å; F399-F498 HydrophobicContact CD1-CE1 3.84Å; F399-F498 HydrophobicContact CE1-CE1 4.3Å; F399-F498 HydrophobicContact CG-CE1 4.2Å; F399-M521 HydrophobicContact CD2-SD 4.32Å; F399-M521 HydrophobicContact CE2-CE 4.3Å; F399-I524 HydrophobicContact CB-CG1 4.11Å
400	Q	97.9	Very high	95.2	Very high	41 Å²	41	29.4 Å²	29.4	19%	0.192	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.1	166.4	-70.2	-180	-8.4	0	0	110.2	W458 H459 E460 M521 Q522 L523	Q400-W458 HydrophobicContact CB-CE3 3.96Å; Q400-W458 HydrophobicContact CB-CZ3 4.41Å; Q400-H459 CarbonylContact C-O 3.53Å; Q400-H459 WeakPolarHBondContact CA-O 3.25Å; Q400-E460 HydrophobicContact CG-CB 4.06Å; Q400-E460 HydrophobicContact CG-CG 4.3Å; Q400-M521 CarbonylContact O-C 3.57Å; Q400-M521 WeakPolarHBondContact O-CA 3.03Å; Q400-Q522 HydrophobicContact CB-CG 3.87Å; Q400-Q522 PolarHBondContact N-O 2.94Å; Q400-Q522 PolarHBondContact O-N 2.82Å; Q400-L523 HydrophobicContact CG-CD1 4.39Å
401	F	98.3	Very high	95.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157	174.4	79.4	-81.8	0	0	0	112.1	F399 T403 L410 L426 V431 L453 H459 V461 F517 C520 M521	F399-F401 HydrophobicContact CD2-CB 4.26Å; F399-F401 HydrophobicContact CD2-CD1 4.46Å; F399-F401 HydrophobicContact CE2-CB 4.23Å; F399-F401 AromaticContact CE2-CD1 3.97Å; F399-F401 HydrophobicContact CE2-CD1 3.97Å; F399-F401 HydrophobicContact CE2-CG 4.41Å; F401-T403 HydrophobicContact CD2-CG2 4.22Å; F401-T403 HydrophobicContact CE2-CG2 4.06Å; F401-L410 HydrophobicContact CD2-CD2 4.3Å; F401-L410 HydrophobicContact CE1-CD1 4.31Å; F401-L410 HydrophobicContact CG-CD2 4.36Å; F401-L410 HydrophobicContact CZ-CD1 4.48Å; F401-L426 HydrophobicContact CE2-CD1 4.26Å; F401-L426 HydrophobicContact CE2-CD2 4.31Å; F401-L426 HydrophobicContact CZ-CD1 4.02Å; F401-V431 HydrophobicContact CE1-CG2 4Å; F401-V431 HydrophobicContact CZ-CG2 4.06Å; F401-L453 HydrophobicContact CZ-CB 4Å; F401-L453 HydrophobicContact CZ-CD1 4.41Å; F401-H459 HydrophobicContact CD1-CB 4.41Å; F401-H459 HydrophobicContact CE1-CB 4Å; F401-H459 HydrophobicContact CZ-CB 4.33Å; F401-H459 PolarHBondContact N-O 2.97Å; F401-H459 PolarHBondContact O-N 2.93Å; F401-V461 HydrophobicContact CD1-CG2 3.7Å; F401-V461 HydrophobicContact CE1-CG2 3.46Å; F401-V461 VanDerWaalsContact CE1-CG2 3.46Å; F401-F517 HydrophobicContact CB-CE2 4.45Å; F401-F517 HydrophobicContact CB-CZ 4.05Å; F401-F517 AromaticContact CD2-CE2 3.83Å; F401-F517 HydrophobicContact CD2-CE2 3.83Å; F401-F517 HydrophobicContact CD2-CZ 4.16Å; F401-C520 CarbonylContact C-O 3.54Å; F401-C520 WeakPolarHBondContact CA-O 3.49Å; F401-M521 HydrophobicContact CB-CG 4.07Å
402	R	97.7	Very high	95.8	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.019	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.6	165.9	64.6	178.9	178.9	-178.1	4.9	111	D272 G456 Q457 W458 G519 C520 C552 I554	D272-R402 IonicContact OD1-NH1 3.72Å; D272-R402 PolarHBondContact OD1-NH1 3.4Å; D272-R402 IonicContact OD2-NH1 3.31Å; R402-G456 WeakPolarHBondContact CD-O 3.33Å; R402-Q457 WeakPolarHBondContact CB-O 3.31Å; R402-W458 HydrophobicContact CB-CD2 4.23Å; R402-W458 HydrophobicContact CB-CE3 4.11Å; R402-W458 HydrophobicContact CG-CD2 3.97Å; R402-W458 HydrophobicContact CG-CE3 3.96Å; R402-W458 HydrophobicContact CG-CH2 4.13Å; R402-W458 HydrophobicContact CG-CZ2 4.12Å; R402-W458 HydrophobicContact CG-CZ3 4.04Å; R402-G519 VanDerWaalsContact O-CA 3.28Å; R402-G519 WeakPolarHBondContact O-CA 3.35Å; R402-C520 HydrophobicContact CG-CB 4.1Å; R402-C520 PolarHBondContact N-O 2.81Å; R402-C520 PolarHBondContact O-N 2.77Å; R402-C552 PolarHBondContact NE-SG 3.44Å; R402-C552 PolarHBondContact NH2-SG 2.84Å; R402-I554 HydrophobicContact CG-CD1 4.14Å
403	T	97.5	Very high	95.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.1	C	C	.	.			trans	-156.1	164.6	-178.5	-174.2	0	0	0	0	111.3	F401 N405 L426 N454 G456 F517 Q518	F401-T403 HydrophobicContact CD2-CG2 4.22Å; F401-T403 HydrophobicContact CE2-CG2 4.06Å; T403-N405 WeakPolarHBondContact CG2-O 3.17Å; T403-N405 PolarHBondContact OG1-N 3.47Å; T403-L426 HydrophobicContact CG2-CD2 3.77Å; T403-N454 HydrophobicContact CG2-CB 4.25Å; T403-N454 CarbonylContact O-C 3.35Å; T403-N454 VanDerWaalsContact O-CA 3.24Å; T403-N454 WeakPolarHBondContact O-CA 3.22Å; T403-G456 PolarHBondContact O-N 2.98Å; T403-F517 HydrophobicContact CG2-CE2 3.98Å; T403-Q518 VanDerWaalsContact CB-O 3.31Å; T403-Q518 WeakPolarHBondContact CB-O 3.35Å; T403-Q518 PolarHBondContact OG1-O 2.8Å
404	W	95.9	Very high	95.9	Very high	19 Å²	19	16.2 Å²	16.2	7%	0.072	9%	0.086	C	C	.	.	S	Bend	trans	-101	-14.8	165.8	-62.9	121.8	0	0	0	112.7	N454 D455 I555 D556 Q571	W404-N454 PolarHBondContact O-ND2 3.45Å; W404-N454 VanDerWaalsContact O-ND2 3.09Å; W404-D455 VanDerWaalsContact CH2-O 3.31Å; W404-D455 WeakPolarHBondContact CH2-O 3.23Å; W404-D455 WeakPolarHBondContact CZ3-O 3.4Å; W404-I555 PolarHBondContact NE1-O 3.47Å; W404-D556 HydrophobicContact CH2-CB 4.41Å; W404-D556 HydrophobicContact CZ2-CB 3.73Å; W404-Q571 HydrophobicContact CB-CG 4.3Å; W404-Q571 HydrophobicContact CD2-CG 3.99Å; W404-Q571 VanDerWaalsContact CD2-NE2 3.3Å; W404-Q571 VanDerWaalsContact CE2-NE2 3.31Å; W404-Q571 HydrophobicContact CE3-CG 3.94Å; W404-Q571 HydrophobicContact CG-CG 4.15Å; W404-Q571 VanDerWaalsContact CZ2-NE2 3.32Å
405	N	95.5	Very high	95.8	Very high	20 Å²	20	14.2 Å²	14.2	11%	0.107	8%	0.075	C	C	.	.			trans	-80.3	134.7	-177.4	-74.2	-7.1	0	0	0	110.2	T403 N407 L426 N454 Q518 W573	T403-N405 WeakPolarHBondContact CG2-O 3.17Å; T403-N405 PolarHBondContact OG1-N 3.47Å; N405-N407 PolarHBondContact O-N 2.92Å; N405-L426 WeakPolarHBondContact O-CD2 3.37Å; N405-N454 VanDerWaalsContact O-CB 3.23Å; N405-N454 WeakPolarHBondContact O-CB 3.12Å; N405-Q518 PolarHBondContact ND2-OE1 3.38Å; N405-W573 WeakPolarHBondContact OD1-CB 3.37Å; N405-W573 PolarHBondContact OD1-N 3.47Å
406	P	94.5	Very high	95.7	Very high	47 Å²	47	14.9 Å²	14.9	31%	0.305	8%	0.08	S	C	.	.	S	Bend	trans	-75.1	-16.5	177.6	31.2	-36	0	0	0	112.8	L426 E428 S429	P406-L426 WeakPolarHBondContact O-CG 3.29Å; P406-E428 PolarHBondContact O-N 3Å; P406-S429 WeakPolarHBondContact CB-OG 3.26Å; P406-S429 PolarHBondContact O-N 3.01Å
407	N	94.3	Very high	95.4	Very high	68 Å²	68	18.6 Å²	18.6	36%	0.364	10%	0.099	S	C	.	.			trans	-131.2	146.2	-176.7	-54.3	-45.7	0	0	0	111.5	N405 L426 T427 E428 P515	N405-N407 PolarHBondContact O-N 2.92Å; N407-L426 CarbonylContact C-O 3.52Å; N407-L426 WeakPolarHBondContact CA-O 3.06Å; N407-T427 WeakPolarHBondContact OD1-CA 3.07Å; N407-E428 PolarHBondContact OD1-N 3.26Å; N407-P515 HydrophobicContact CB-CG 4.38Å
408	G	94	Very high	94.8	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	145.7	170.9	0	0	0	0	0	113.7	L410 L426 P515	G408-L410 PolarHBondContact O-N 2.03Å; G408-L426 PolarHBondContact N-O 3.14Å; G408-L426 PolarHBondContact O-N 3.28Å; G408-P515 WeakPolarHBondContact CA-O 3.4Å
409	L	95.3	Very high	94.5	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.6	176.7	178.2	66.3	0	0	0	111.3	F412 E423 G499 F501 P515 F517	L409-F412 HydrophobicContact CD2-CB 4.37Å; L409-E423 HydrophobicContact CD1-CG 3.49Å; L409-E423 VanDerWaalsContact CD1-CG 3.49Å; L409-G499 CarbonylContact O-C 3.49Å; L409-G499 VanDerWaalsContact O-CA 3.22Å; L409-G499 WeakPolarHBondContact O-CA 3.11Å; L409-F501 HydrophobicContact CD2-CD1 3.49Å; L409-F501 VanDerWaalsContact CD2-CD1 3.49Å; L409-F501 HydrophobicContact CD2-CE1 3.67Å; L409-P515 PolarHBondContact N-O 3.21Å; L409-F517 WeakPolarHBondContact O-CB 3.44Å
410	L	96.9	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-53	179.2	-59	173.8	0	0	0	111.6	F399 F401 G408 I424 L426 V431 F498 G499 F517 M521	F399-L410 HydrophobicContact CE2-CB 4.22Å; F399-L410 HydrophobicContact CE2-CD1 4.25Å; F399-L410 HydrophobicContact CZ-CB 3.85Å; F399-L410 HydrophobicContact CZ-CD1 4.09Å; F399-L410 HydrophobicContact CZ-CG 4.49Å; F401-L410 HydrophobicContact CD2-CD2 4.3Å; F401-L410 HydrophobicContact CE1-CD1 4.31Å; F401-L410 HydrophobicContact CG-CD2 4.36Å; F401-L410 HydrophobicContact CZ-CD1 4.48Å; G408-L410 PolarHBondContact O-N 2.03Å; L410-I424 CarbonylContact C-O 3.37Å; L410-I424 WeakPolarHBondContact CA-O 3.45Å; L410-I424 HydrophobicContact CB-CG2 4.37Å; L410-I424 WeakPolarHBondContact CB-O 3.26Å; L410-I424 HydrophobicContact CD1-CG2 4.3Å; L410-I424 PolarHBondContact N-O 2.81Å; L410-L426 HydrophobicContact CD1-CB 4.45Å; L410-V431 HydrophobicContact CD1-CG2 4.09Å; L410-F498 CarbonylContact O-C 3.56Å; L410-F498 VanDerWaalsContact O-CA 3.29Å; L410-F498 WeakPolarHBondContact O-CA 3.38Å; L410-G499 PolarHBondContact O-N 2.86Å; L410-F517 HydrophobicContact CD2-CD2 3.42Å; L410-F517 VanDerWaalsContact CD2-CD2 3.42Å; L410-F517 HydrophobicContact CD2-CE2 3.67Å; L410-F517 HydrophobicContact CD2-CG 4.05Å; L410-F517 HydrophobicContact CD2-CZ 4.46Å; L410-M521 HydrophobicContact CB-CE 4.13Å; L410-M521 HydrophobicContact CD2-CE 3.65Å
411	V	96.7	Very high	93.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.7	-176.6	-172.1	0	0	0	0	111.2	V397 F399 E423 I424 F497 F498	V397-V411 HydrophobicContact CG1-CG1 4.42Å; V397-V411 HydrophobicContact CG1-CG2 4.2Å; F399-V411 HydrophobicContact CD1-CG2 4.18Å; F399-V411 HydrophobicContact CE1-CG2 3.43Å; F399-V411 VanDerWaalsContact CE1-CG2 3.43Å; F399-V411 HydrophobicContact CZ-CG2 3.8Å; V411-E423 CarbonylContact O-C 3.57Å; V411-E423 WeakPolarHBondContact O-CA 3.09Å; V411-I424 HydrophobicContact CB-CB 4.01Å; V411-I424 HydrophobicContact CB-CD1 4.21Å; V411-I424 HydrophobicContact CB-CG1 4.17Å; V411-I424 HydrophobicContact CG2-CB 4.43Å; V411-I424 HydrophobicContact CG2-CD1 4.42Å; V411-I424 PolarHBondContact N-O 3.22Å; V411-I424 PolarHBondContact O-N 3.07Å; V411-F497 CarbonylContact C-O 3.47Å; V411-F497 VanDerWaalsContact CA-O 3.25Å; V411-F497 WeakPolarHBondContact CA-O 3.2Å; V411-F498 HydrophobicContact CG1-CE1 4.45Å; V411-F498 HydrophobicContact CG1-CZ 4.33Å; V411-F498 HydrophobicContact CG2-CD1 3.63Å; V411-F498 HydrophobicContact CG2-CE1 3.46Å; V411-F498 VanDerWaalsContact CG2-CE1 3.46Å; V411-F498 HydrophobicContact CG2-CG 4.42Å; V411-F498 HydrophobicContact CG2-CZ 4.11Å
412	F	94.6	Very high	93.7	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.6	168.2	179	-98.8	0	0	0	110.7	L409 H414 N421 V422 E423 F497 H510	L409-F412 HydrophobicContact CD2-CB 4.37Å; F412-H414 AromaticContact CE1-CD2 3.7Å; F412-H414 AromaticContact CE1-NE2 3.39Å; F412-H414 WeakPolarHBondContact CE1-NE2 3.15Å; F412-H414 AromaticContact CZ-CE1 3.74Å; F412-H414 AromaticContact CZ-NE2 3.53Å; F412-N421 HydrophobicContact CE2-CB 4.09Å; F412-N421 HydrophobicContact CZ-CB 4.19Å; F412-V422 WeakPolarHBondContact CA-O 3.22Å; F412-E423 HydrophobicContact CD2-CB 4.3Å; F412-E423 HydrophobicContact CD2-CG 4.41Å; F412-F497 HydrophobicContact CB-CB 4.42Å; F412-F497 HydrophobicContact CD1-CD2 4.14Å; F412-F497 PolarHBondContact N-O 3.44Å; F412-F497 PolarHBondContact O-N 2.83Å; F412-H510 AromaticContact CE2-CE1 3.55Å; F412-H510 AromaticContact CZ-CE1 3.58Å; F412-H510 AromaticContact CZ-NE2 3.96Å
413	S	94	Very high	93.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.8	174.8	-176.9	0	0	0	0	111.8	N421 V422 K495	S413-N421 WeakPolarHBondContact O-CA 3.38Å; S413-N421 WeakPolarHBondContact O-CB 3.5Å; S413-V422 PolarHBondContact N-O 2.91Å; S413-V422 PolarHBondContact O-N 3.25Å; S413-K495 PolarHBondContact OG-O 3.01Å; S413-K495 VanDerWaalsContact OG-O 3.13Å
414	H	92.1	Very high	93.5	Very high	59 Å²	59	25.1 Å²	25.1	27%	0.273	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	144.2	169	-71.5	-80.9	0	0	0	110.9	F412 G493	F412-H414 AromaticContact CE1-CD2 3.7Å; F412-H414 AromaticContact CE1-NE2 3.39Å; F412-H414 WeakPolarHBondContact CE1-NE2 3.15Å; F412-H414 AromaticContact CZ-CE1 3.74Å; F412-H414 AromaticContact CZ-NE2 3.53Å; H414-G493 WeakPolarHBondContact O-CA 3.34Å; H414-G493 PolarHBondContact O-N 3.44Å
415	F	92.5	Very high	93.5	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	149.9	161.8	-61.2	-43.7	0	0	0	110	F395 L419 G420 V422 I435 L488 V490 K491	F395-F415 HydrophobicContact CB-CE1 4.27Å; F395-F415 HydrophobicContact CD2-CD1 4.2Å; F395-F415 AromaticContact CD2-CE1 3.75Å; F395-F415 HydrophobicContact CD2-CE1 3.75Å; F395-F415 HydrophobicContact CE2-CE1 4.26Å; F395-F415 HydrophobicContact CG-CE1 4.04Å; F415-L419 HydrophobicContact CB-CB 3.77Å; F415-L419 HydrophobicContact CD2-CB 4.32Å; F415-L419 HydrophobicContact CG-CB 4.46Å; F415-G420 PolarHBondContact N-O 3.15Å; F415-V422 HydrophobicContact CE1-CB 4.45Å; F415-V422 HydrophobicContact CE1-CG1 4.1Å; F415-V422 HydrophobicContact CZ-CB 4.09Å; F415-V422 HydrophobicContact CZ-CG1 4.24Å; F415-I435 HydrophobicContact CE2-CG2 3.59Å; F415-I435 HydrophobicContact CZ-CG2 3.94Å; F415-L488 HydrophobicContact CE2-CD1 4.45Å; F415-V490 HydrophobicContact CD1-CG1 4.08Å; F415-V490 HydrophobicContact CE1-CG1 3.81Å; F415-V490 HydrophobicContact CZ-CG1 4.42Å; F415-V490 HydrophobicContact CZ-CG2 4.37Å; F415-K491 CarbonylContact C-O 3.53Å; F415-K491 WeakPolarHBondContact CA-O 3.23Å; F415-K491 WeakPolarHBondContact CB-O 3.49Å
416	A	92	Very high	93.5	Very high	13 Å²	13	23.4 Å²	23.4	11%	0.107	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-66.5	172	170.4	0	0	0	0	0	111.6	L390 N418 L419 K491 T492	L390-A416 HydrophobicContact CD1-CB 3.89Å; A416-N418 PolarHBondContact O-N 2.04Å; A416-L419 WeakPolarHBondContact O-CB 3.36Å; A416-L419 WeakPolarHBondContact O-CG 3.47Å; A416-L419 PolarHBondContact O-N 3.11Å; A416-K491 HydrophobicContact CB-CB 3.9Å; A416-K491 PolarHBondContact N-O 2.68Å; A416-T492 WeakPolarHBondContact CB-O 3.11Å
417	D	90	Very high	93.5	Very high	90 Å²	90	24.3 Å²	24.3	48%	0.481	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	54.3	26.1	178.9	-61.4	-15.7	0	0	0	114.5	L419 Q439 K491	D417-L419 HydrophobicContact CB-CG 4.31Å; D417-L419 PolarHBondContact O-N 3.01Å; D417-Q439 PolarHBondContact O-NE2 3.29Å; D417-K491 WeakPolarHBondContact OD2-CD 3.29Å; D417-K491 WeakPolarHBondContact OD2-CE 3.29Å; D417-K491 IonicContact OD2-NZ 2.68Å; D417-K491 PolarHBondContact OD2-NZ 3.17Å
418	N	85.6	Confident	93.5	Very high	142 Å²	142	28.3 Å²	28.3	76%	0.759	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	53.8	29.2	-174.4	-63.7	-40.3	0	0	0	113.3	A416 G420 T438	A416-N418 PolarHBondContact O-N 2.04Å; N418-G420 PolarHBondContact O-N 3.24Å; N418-T438 WeakPolarHBondContact O-CB 3.46Å; N418-T438 PolarHBondContact O-OG1 2.86Å
419	L	90.7	Very high	93.6	Very high	9 Å²	9	29 Å²	29	5%	0.047	16%	0.155	C	C	.	.			trans	-65.8	-20.2	-179.1	-71.9	167.7	0	0	0	113.3	F415 A416 D417 T438 Q439 Q489 K491	F415-L419 HydrophobicContact CB-CB 3.77Å; F415-L419 HydrophobicContact CD2-CB 4.32Å; F415-L419 HydrophobicContact CG-CB 4.46Å; A416-L419 WeakPolarHBondContact O-CB 3.36Å; A416-L419 WeakPolarHBondContact O-CG 3.47Å; A416-L419 PolarHBondContact O-N 3.11Å; D417-L419 HydrophobicContact CB-CG 4.31Å; D417-L419 PolarHBondContact O-N 3.01Å; L419-T438 PolarHBondContact O-N 3.1Å; L419-T438 PolarHBondContact O-OG1 2.85Å; L419-Q439 HydrophobicContact CD2-CG 4.16Å; L419-Q489 HydrophobicContact CD1-CB 4.48Å; L419-Q489 HydrophobicContact CD2-CB 4Å; L419-K491 HydrophobicContact CD1-CB 3.85Å; L419-K491 HydrophobicContact CD1-CD 4.26Å; L419-K491 HydrophobicContact CD1-CG 3.86Å
420	G	91.1	Very high	93.7	Very high	9 Å²	9	33.4 Å²	33.4	9%	0.093	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.8	-149.8	179	0	0	0	0	0	112.6	F415 N418 N436	F415-G420 PolarHBondContact N-O 3.15Å; N418-G420 PolarHBondContact O-N 3.24Å; G420-N436 WeakPolarHBondContact CA-O 3.05Å
421	N	92.3	Very high	93.7	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	166.3	177.4	59.6	37.1	0	0	0	111	F412 S413 I435 N436 H510	F412-N421 HydrophobicContact CE2-CB 4.09Å; F412-N421 HydrophobicContact CZ-CB 4.19Å; S413-N421 WeakPolarHBondContact O-CA 3.38Å; S413-N421 WeakPolarHBondContact O-CB 3.5Å; N421-I435 WeakPolarHBondContact O-CA 3.3Å; N421-N436 PolarHBondContact N-O 3.27Å; N421-N436 VanDerWaalsContact N-O 3.15Å; N421-N436 PolarHBondContact O-N 3.29Å; N421-N436 VanDerWaalsContact OD1-CB 3.32Å; N421-N436 WeakPolarHBondContact OD1-CB 3.31Å; N421-N436 PolarHBondContact OD1-ND2 2.76Å; N421-H510 PolarHBondContact ND2-CE1 3.45Å
422	V	94	Very high	93.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.6	173.1	57.9	0	0	0	0	109.5	F395 F412 S413 F415 I424 V433 H434 I435 F463	F395-V422 HydrophobicContact CD1-CG1 4.42Å; F395-V422 HydrophobicContact CD2-CG1 4.37Å; F395-V422 HydrophobicContact CE1-CG1 3.65Å; F395-V422 HydrophobicContact CE2-CG1 3.59Å; F395-V422 HydrophobicContact CZ-CG1 3.17Å; F412-V422 WeakPolarHBondContact CA-O 3.22Å; S413-V422 PolarHBondContact N-O 2.91Å; S413-V422 PolarHBondContact O-N 3.25Å; F415-V422 HydrophobicContact CE1-CB 4.45Å; F415-V422 HydrophobicContact CE1-CG1 4.1Å; F415-V422 HydrophobicContact CZ-CB 4.09Å; F415-V422 HydrophobicContact CZ-CG1 4.24Å; V422-I424 HydrophobicContact CG2-CG1 4.46Å; V422-V433 HydrophobicContact CG2-CG1 3.71Å; V422-H434 WeakPolarHBondContact CA-O 3.37Å; V422-I435 HydrophobicContact CG2-CG1 4.15Å; V422-F463 HydrophobicContact CG2-CE1 3.85Å; V422-F463 HydrophobicContact CG2-CZ 4.28Å
423	E	94.5	Very high	93.7	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.075	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.3	177.3	-169.7	-175.9	109.1	0	0	107.9	L409 V411 F412 V433 H434 Q514	L409-E423 HydrophobicContact CD1-CG 3.49Å; L409-E423 VanDerWaalsContact CD1-CG 3.49Å; V411-E423 CarbonylContact O-C 3.57Å; V411-E423 WeakPolarHBondContact O-CA 3.09Å; F412-E423 HydrophobicContact CD2-CB 4.3Å; F412-E423 HydrophobicContact CD2-CG 4.41Å; E423-V433 CarbonylContact O-C 3.03Å; E423-V433 VanDerWaalsContact O-CA 3.3Å; E423-V433 WeakPolarHBondContact O-CA 3.39Å; E423-H434 HydrophobicContact CB-CB 4.29Å; E423-H434 PolarHBondContact N-O 3.19Å; E423-H434 PolarHBondContact O-N 2.88Å; E423-H434 IonicContact OE1-CD2 2.66Å; E423-Q514 VanDerWaalsContact CD-OE1 3.29Å; E423-Q514 PolarHBondContact OE1-NE2 2.57Å; E423-Q514 PolarHBondContact OE1-OE1 3.03Å
424	I	96.7	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.2	173.5	-50.7	-176.1	0	0	0	106.2	L410 V411 V422 V431 G432 V433 F463	L410-I424 CarbonylContact C-O 3.37Å; L410-I424 WeakPolarHBondContact CA-O 3.45Å; L410-I424 HydrophobicContact CB-CG2 4.37Å; L410-I424 WeakPolarHBondContact CB-O 3.26Å; L410-I424 HydrophobicContact CD1-CG2 4.3Å; L410-I424 PolarHBondContact N-O 2.81Å; V411-I424 HydrophobicContact CB-CB 4.01Å; V411-I424 HydrophobicContact CB-CD1 4.21Å; V411-I424 HydrophobicContact CB-CG1 4.17Å; V411-I424 HydrophobicContact CG2-CB 4.43Å; V411-I424 HydrophobicContact CG2-CD1 4.42Å; V411-I424 PolarHBondContact N-O 3.22Å; V411-I424 PolarHBondContact O-N 3.07Å; V422-I424 HydrophobicContact CG2-CG1 4.46Å; I424-V431 HydrophobicContact CG2-CG1 3.84Å; I424-G432 WeakPolarHBondContact CA-O 3.38Å; I424-V433 HydrophobicContact CG1-CG1 4.25Å; I424-V433 HydrophobicContact CG1-CG2 4.09Å; I424-V433 HydrophobicContact CG2-CG2 4.2Å; I424-F463 HydrophobicContact CD1-CB 3.9Å; I424-F463 HydrophobicContact CD1-CD1 4.06Å; I424-F463 HydrophobicContact CD1-CG 4.13Å
425	D	95.9	Very high	93.8	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	165.3	-176.8	74.8	-20.4	0	0	0	111.2	T427 V431 G432 H434 Q514	D425-T427 PolarHBondContact OD2-OG1 3.21Å; D425-V431 CarbonylContact O-C 3.55Å; D425-V431 WeakPolarHBondContact O-CA 3.12Å; D425-G432 PolarHBondContact N-O 2.88Å; D425-G432 PolarHBondContact O-N 3.01Å; D425-G432 WeakPolarHBondContact OD1-CA 3.21Å; D425-H434 IonicContact OD1-CD2 2.7Å; D425-H434 IonicContact OD1-NE2 3.94Å; D425-H434 PolarHBondContact OD1-NE2 2.66Å; D425-H434 IonicContact OD2-NE2 3.41Å; D425-Q514 PolarHBondContact OD2-NE2 3.07Å
426	L	96.1	Very high	93.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.1	162.7	-167.7	74.4	0	0	0	106.4	F401 T403 N405 P406 N407 G408 L410 K430 V431 L453	F401-L426 HydrophobicContact CE2-CD1 4.26Å; F401-L426 HydrophobicContact CE2-CD2 4.31Å; F401-L426 HydrophobicContact CZ-CD1 4.02Å; T403-L426 HydrophobicContact CG2-CD2 3.77Å; N405-L426 WeakPolarHBondContact O-CD2 3.37Å; P406-L426 WeakPolarHBondContact O-CG 3.29Å; N407-L426 CarbonylContact C-O 3.52Å; N407-L426 WeakPolarHBondContact CA-O 3.06Å; G408-L426 PolarHBondContact N-O 3.14Å; G408-L426 PolarHBondContact O-N 3.28Å; L410-L426 HydrophobicContact CD1-CB 4.45Å; L426-K430 WeakPolarHBondContact CA-O 3.36Å; L426-V431 HydrophobicContact CD1-CG2 4.12Å; L426-L453 HydrophobicContact CD1-CB 4.11Å; L426-L453 HydrophobicContact CD1-CD1 4.39Å
427	T	94.4	Very high	93.5	Very high	65 Å²	65	34.9 Å²	34.9	40%	0.399	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.6	174.8	-73.7	0	0	0	0	108.7	N407 D425 S429 K430	N407-T427 WeakPolarHBondContact OD1-CA 3.07Å; D425-T427 PolarHBondContact OD2-OG1 3.21Å; T427-S429 PolarHBondContact O-N 3.15Å; T427-K430 PolarHBondContact N-O 2.82Å; T427-K430 PolarHBondContact O-N 3.41Å
428	E	94.3	Very high	93.2	Very high	152 Å²	152	35 Å²	35	71%	0.71	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.7	-175.5	-59.6	-175.9	169.5	0	0	113	P406 N407 K430	P406-E428 PolarHBondContact O-N 3Å; N407-E428 PolarHBondContact OD1-N 3.26Å; E428-K430 PolarHBondContact O-N 3.01Å
429	S	95.5	Very high	92.7	Very high	18 Å²	18	33.6 Å²	33.6	13%	0.126	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	22.7	179.3	-46	0	0	0	0	114.6	P406 T427 S451 G452 L453 N454	P406-S429 WeakPolarHBondContact CB-OG 3.26Å; P406-S429 PolarHBondContact O-N 3.01Å; T427-S429 PolarHBondContact O-N 3.15Å; S429-S451 CarbonylContact O-C 2.79Å; S429-G452 PolarHBondContact O-N 3.43Å; S429-L453 PolarHBondContact O-N 3.48Å; S429-L453 VanDerWaalsContact O-N 3.08Å; S429-N454 WeakPolarHBondContact CB-OD1 3.21Å; S429-N454 PolarHBondContact OG-OD1 2.57Å
430	K	96.8	Very high	91.7	Very high	95 Å²	95	35.7 Å²	35.7	41%	0.413	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.4	173.2	-55.3	-172.6	179	167.2	0	109.6	L426 T427 E428 G450	L426-K430 WeakPolarHBondContact CA-O 3.36Å; T427-K430 PolarHBondContact N-O 2.82Å; T427-K430 PolarHBondContact O-N 3.41Å; E428-K430 PolarHBondContact O-N 3.01Å; K430-G450 VanDerWaalsContact CG-O 3.28Å; K430-G450 WeakPolarHBondContact CG-O 3.39Å
431	V	97.1	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.9	174.8	170.7	0	0	0	0	108.5	F401 L410 I424 D425 L426 S448 S449 L453 V461 L472 I474	F401-V431 HydrophobicContact CE1-CG2 4Å; F401-V431 HydrophobicContact CZ-CG2 4.06Å; L410-V431 HydrophobicContact CD1-CG2 4.09Å; I424-V431 HydrophobicContact CG2-CG1 3.84Å; D425-V431 CarbonylContact O-C 3.55Å; D425-V431 WeakPolarHBondContact O-CA 3.12Å; L426-V431 HydrophobicContact CD1-CG2 4.12Å; V431-S448 CarbonylContact O-C 3.5Å; V431-S448 WeakPolarHBondContact O-CA 3.49Å; V431-S449 PolarHBondContact N-O 3.03Å; V431-S449 PolarHBondContact O-N 3.2Å; V431-L453 HydrophobicContact CB-CD1 4.35Å; V431-L453 HydrophobicContact CG2-CD1 3.64Å; V431-V461 HydrophobicContact CG1-CG1 4.21Å; V431-V461 HydrophobicContact CG2-CG2 4.02Å; V431-L472 HydrophobicContact CG1-CD1 4.09Å; V431-L472 HydrophobicContact CG1-CD2 4.21Å; V431-I474 HydrophobicContact CB-CD1 3.83Å; V431-I474 HydrophobicContact CG1-CD1 4.1Å; V431-I474 HydrophobicContact CG2-CD1 3.98Å
432	G	95.6	Very high	89.4	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.4	171.6	0	0	0	0	0	111	I424 D425 I447	I424-G432 WeakPolarHBondContact CA-O 3.38Å; D425-G432 PolarHBondContact N-O 2.88Å; D425-G432 PolarHBondContact O-N 3.01Å; D425-G432 WeakPolarHBondContact OD1-CA 3.21Å; G432-I447 CarbonylContact C-O 3.49Å; G432-I447 WeakPolarHBondContact CA-O 3.11Å
433	V	96.5	Very high	88.5	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123	167	-176.3	0	0	0	0	108.5	V422 E423 I424 I435 D446 I447 F463 L472	V422-V433 HydrophobicContact CG2-CG1 3.71Å; E423-V433 CarbonylContact O-C 3.03Å; E423-V433 VanDerWaalsContact O-CA 3.3Å; E423-V433 WeakPolarHBondContact O-CA 3.39Å; I424-V433 HydrophobicContact CG1-CG1 4.25Å; I424-V433 HydrophobicContact CG1-CG2 4.09Å; I424-V433 HydrophobicContact CG2-CG2 4.2Å; V433-I435 HydrophobicContact CG1-CG1 4.1Å; V433-D446 WeakPolarHBondContact O-CA 3.16Å; V433-I447 HydrophobicContact CB-CD1 4.24Å; V433-I447 HydrophobicContact CB-CG1 3.68Å; V433-I447 HydrophobicContact CG2-CD1 4.42Å; V433-I447 HydrophobicContact CG2-CG1 4.15Å; V433-I447 PolarHBondContact N-O 2.04Å; V433-I447 PolarHBondContact O-N 2.82Å; V433-F463 HydrophobicContact CB-CD2 4.41Å; V433-F463 HydrophobicContact CB-CE2 4.28Å; V433-F463 HydrophobicContact CG1-CD2 4.04Å; V433-F463 HydrophobicContact CG1-CE1 4.17Å; V433-F463 HydrophobicContact CG1-CE2 3.63Å; V433-F463 HydrophobicContact CG1-CG 4.46Å; V433-F463 HydrophobicContact CG1-CZ 3.69Å; V433-F463 HydrophobicContact CG2-CD2 3.88Å; V433-F463 HydrophobicContact CG2-CE2 4.25Å; V433-F463 HydrophobicContact CG2-CG 4.31Å; V433-L472 HydrophobicContact CG2-CD1 4.04Å; V433-L472 HydrophobicContact CG2-CD2 4.11Å; V433-L472 HydrophobicContact CG2-CG 4.5Å
434	H	93.8	Very high	88.2	Confident	47 Å²	47	56.1 Å²	56.1	22%	0.218	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.9	179.8	-54.6	-67.4	0	0	0	109.1	V422 E423 D425 D446	V422-H434 WeakPolarHBondContact CA-O 3.37Å; E423-H434 HydrophobicContact CB-CB 4.29Å; E423-H434 PolarHBondContact N-O 3.19Å; E423-H434 PolarHBondContact O-N 2.88Å; E423-H434 IonicContact OE1-CD2 2.66Å; D425-H434 IonicContact OD1-CD2 2.7Å; D425-H434 IonicContact OD1-NE2 3.94Å; D425-H434 PolarHBondContact OD1-NE2 2.66Å; D425-H434 IonicContact OD2-NE2 3.41Å; H434-D446 IonicContact CE1-OD1 3.46Å; H434-D446 IonicContact CG-OD1 2.71Å; H434-D446 IonicContact ND1-OD1 3.54Å; H434-D446 PolarHBondContact ND1-OD1 3.32Å
435	I	93.7	Very high	87.8	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.3	179.4	-47.5	173.4	0	0	0	108.3	F415 N421 V422 V433 I437 Q444 I445 F463 A470 L488	F415-I435 HydrophobicContact CE2-CG2 3.59Å; F415-I435 HydrophobicContact CZ-CG2 3.94Å; N421-I435 WeakPolarHBondContact O-CA 3.3Å; V422-I435 HydrophobicContact CG2-CG1 4.15Å; V433-I435 HydrophobicContact CG1-CG1 4.1Å; I435-I437 HydrophobicContact CG2-CG1 4.33Å; I435-Q444 CarbonylContact O-C 3.57Å; I435-Q444 VanDerWaalsContact O-CA 3.23Å; I435-Q444 WeakPolarHBondContact O-CA 3.21Å; I435-I445 HydrophobicContact CB-CB 4.18Å; I435-I445 HydrophobicContact CD1-CB 4.38Å; I435-I445 HydrophobicContact CD1-CG2 4.45Å; I435-I445 PolarHBondContact N-O 3.36Å; I435-I445 PolarHBondContact O-N 2.81Å; I435-F463 HydrophobicContact CD1-CE2 4.48Å; I435-F463 HydrophobicContact CD1-CZ 3.85Å; I435-F463 HydrophobicContact CG1-CZ 4.38Å; I435-A470 HydrophobicContact CD1-CB 4.1Å; I435-L488 HydrophobicContact CD1-CD2 4.11Å; I435-L488 HydrophobicContact CG2-CD1 3.87Å
436	N	90.4	Very high	87.7	Confident	49 Å²	49	60.7 Å²	60.7	26%	0.262	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.1	173.7	-63	-54.6	0	0	0	109.9	G420 N421 S443	G420-N436 WeakPolarHBondContact CA-O 3.05Å; N421-N436 PolarHBondContact N-O 3.27Å; N421-N436 VanDerWaalsContact N-O 3.15Å; N421-N436 PolarHBondContact O-N 3.29Å; N421-N436 VanDerWaalsContact OD1-CB 3.32Å; N421-N436 WeakPolarHBondContact OD1-CB 3.31Å; N421-N436 PolarHBondContact OD1-ND2 2.76Å; N436-S443 WeakPolarHBondContact CA-O 3.42Å
437	I	88.8	Confident	87.6	Confident	14 Å²	14	61.2 Å²	61.2	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.3	-176.4	-52.1	171.4	0	0	0	109.2	I435 T440 S443 I445 L488	I435-I437 HydrophobicContact CG2-CG1 4.33Å; I437-T440 HydrophobicContact CG2-CG2 3.71Å; I437-S443 PolarHBondContact N-O 2.84Å; I437-I445 HydrophobicContact CD1-CD1 3.62Å; I437-I445 HydrophobicContact CD1-CG1 3.92Å; I437-L488 HydrophobicContact CD1-CD1 3.89Å; I437-L488 HydrophobicContact CG1-CD1 4.1Å
438	T	83.3	Confident	87.6	Confident	91 Å²	91	61.7 Å²	61.7	56%	0.558	32%	0.321	S	S	*	.	S	Bend	trans	-91.9	-29.1	-177.4	57	0	0	0	0	113.3	N418 L419	N418-T438 WeakPolarHBondContact O-CB 3.46Å; N418-T438 PolarHBondContact O-OG1 2.86Å; L419-T438 PolarHBondContact O-N 3.1Å; L419-T438 PolarHBondContact O-OG1 2.85Å
439	Q	76.1	Confident	87.6	Confident	113 Å²	113	55.2 Å²	55.2	53%	0.528	29%	0.292	S	S	.	.	S	Bend	trans	-93.3	-2.4	-169.8	-63.3	-169	6.6	0	0	114.3	D417 L419	D417-Q439 PolarHBondContact O-NE2 3.29Å; L419-Q439 HydrophobicContact CD2-CG 4.16Å
440	T	69.8	Low	87.5	Confident	53 Å²	53	55.8 Å²	55.8	33%	0.325	30%	0.301	S	S	.	.	S	Bend	trans	-119.8	161.1	-176.9	80.8	0	0	0	0	112.3	I437 M442	I437-T440 HydrophobicContact CG2-CG2 3.71Å; T440-M442 PolarHBondContact O-N 3.4Å; T440-M442 PolarHBondContact OG1-N 2.66Å; T440-M442 PolarHBondContact OG1-O 3.32Å
441	K	68.9	Low	87.3	Confident	226 Å²	226	55.5 Å²	55.5	98%	0.983	31%	0.311	S	S	*	.	S	Bend	trans	-64	-25.8	173.8	-73.6	-172.9	178.9	-178.8	0	112.8
442	M	65.6	Low	87.2	Confident	76 Å²	76	57.3 Å²	57.3	37%	0.374	33%	0.329	S	S	.	.			trans	-79.1	126.4	169.5	-110	-171.9	-36.4	0	0	108.3	T440 P487	T440-M442 PolarHBondContact O-N 3.4Å; T440-M442 PolarHBondContact OG1-N 2.66Å; T440-M442 PolarHBondContact OG1-O 3.32Å; M442-P487 HydrophobicContact CE-CB 4.19Å; M442-P487 HydrophobicContact CE-CG 4.06Å
443	S	75.8	Confident	87.3	Confident	86 Å²	86	57.2 Å²	57.2	60%	0.601	33%	0.328	S	S	*	.			trans	-86.5	-25.2	-178.8	53	0	0	0	0	113.4	N436 I437	N436-S443 WeakPolarHBondContact CA-O 3.42Å; I437-S443 PolarHBondContact N-O 2.84Å
444	Q	86.7	Confident	87.2	Confident	82 Å²	82	59 Å²	59	38%	0.383	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.4	-168.5	-169.7	173.1	-14	0	0	113.1	I435 D446	I435-Q444 CarbonylContact O-C 3.57Å; I435-Q444 VanDerWaalsContact O-CA 3.23Å; I435-Q444 WeakPolarHBondContact O-CA 3.21Å; Q444-D446 WeakPolarHBondContact CG-OD1 3.24Å; Q444-D446 PolarHBondContact NE2-OD1 3.01Å; Q444-D446 PolarHBondContact NE2-OD2 2.89Å
445	I	89.7	Confident	87.3	Confident	9 Å²	9	59.4 Å²	59.4	5%	0.046	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.4	168.7	-59.2	168.8	0	0	0	108.2	I435 I437 T484 L488	I435-I445 HydrophobicContact CB-CB 4.18Å; I435-I445 HydrophobicContact CD1-CB 4.38Å; I435-I445 HydrophobicContact CD1-CG2 4.45Å; I435-I445 PolarHBondContact N-O 3.36Å; I435-I445 PolarHBondContact O-N 2.81Å; I437-I445 HydrophobicContact CD1-CD1 3.62Å; I437-I445 HydrophobicContact CD1-CG1 3.92Å; I445-T484 HydrophobicContact CG2-CG2 3.85Å; I445-L488 HydrophobicContact CD1-CB 4.07Å; I445-L488 HydrophobicContact CD1-CD1 4.31Å; I445-L488 HydrophobicContact CD1-CD2 4.43Å; I445-L488 HydrophobicContact CD1-CG 4.49Å
446	D	92.7	Very high	87.3	Confident	90 Å²	90	59.5 Å²	59.5	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.8	178.2	-57.3	-48.1	0	0	0	111	V433 H434 Q444	V433-D446 WeakPolarHBondContact O-CA 3.16Å; H434-D446 IonicContact CE1-OD1 3.46Å; H434-D446 IonicContact CG-OD1 2.71Å; H434-D446 IonicContact ND1-OD1 3.54Å; H434-D446 PolarHBondContact ND1-OD1 3.32Å; Q444-D446 WeakPolarHBondContact CG-OD1 3.24Å; Q444-D446 PolarHBondContact NE2-OD1 3.01Å; Q444-D446 PolarHBondContact NE2-OD2 2.89Å
447	I	93.8	Very high	87.6	Confident	13 Å²	13	59 Å²	59	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.6	170.2	58.3	178.8	0	0	0	109.1	G432 V433 F463 L472 V482 T484	G432-I447 CarbonylContact C-O 3.49Å; G432-I447 WeakPolarHBondContact CA-O 3.11Å; V433-I447 HydrophobicContact CB-CD1 4.24Å; V433-I447 HydrophobicContact CB-CG1 3.68Å; V433-I447 HydrophobicContact CG2-CD1 4.42Å; V433-I447 HydrophobicContact CG2-CG1 4.15Å; V433-I447 PolarHBondContact N-O 2.04Å; V433-I447 PolarHBondContact O-N 2.82Å; I447-F463 HydrophobicContact CD1-CD2 4.19Å; I447-F463 HydrophobicContact CD1-CE2 3.85Å; I447-L472 HydrophobicContact CD1-CB 3.56Å; I447-L472 HydrophobicContact CG1-CB 4.27Å; I447-L472 HydrophobicContact CG1-CD2 4.44Å; I447-V482 HydrophobicContact CB-CG1 3.93Å; I447-V482 HydrophobicContact CG2-CG1 4Å; I447-T484 HydrophobicContact CG2-CG2 3.84Å
448	S	94.7	Very high	87.9	Confident	75 Å²	75	60.7 Å²	60.7	52%	0.524	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.5	175.5	56.6	0	0	0	0	111	V431	V431-S448 CarbonylContact O-C 3.5Å; V431-S448 WeakPolarHBondContact O-CA 3.49Å
449	S	94.4	Very high	88.6	Confident	16 Å²	16	57 Å²	57	11%	0.112	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.2	178.6	-166.7	0	0	0	0	112.1	V431	V431-S449 PolarHBondContact N-O 3.03Å; V431-S449 PolarHBondContact O-N 3.2Å
450	G	92.9	Very high	89.6	Confident	30 Å²	30	53.5 Å²	53.5	31%	0.309	30%	0.304	S	S	.	.			trans	79.9	177.8	-176.4	0	0	0	0	0	114.2	K430	K430-G450 VanDerWaalsContact CG-O 3.28Å; K430-G450 WeakPolarHBondContact CG-O 3.39Å
451	S	93.9	Very high	90.9	Very high	89 Å²	89	51 Å²	51	62%	0.622	29%	0.288	S	S	*	.	S	Bend	trans	-165	140.1	175.9	60.3	0	0	0	0	110.5	S429 L453	S429-S451 CarbonylContact O-C 2.79Å; S451-L453 VanDerWaalsContact C-N 3.3Å; S451-L453 PolarHBondContact O-N 3.08Å
452	G	95	Very high	92.3	Very high	37 Å²	37	45 Å²	45	38%	0.381	26%	0.259	S	S	.	.			trans	70.1	25.9	177.6	0	0	0	0	0	113.7	S429 N454	S429-G452 PolarHBondContact O-N 3.43Å; G452-N454 PolarHBondContact O-N 2.99Å
453	L	96.4	Very high	93.8	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	24%	0.242	C	C	.	.			trans	-74.6	11.2	-175.1	-55.3	173	0	0	0	114.3	F401 L426 S429 V431 S451 H459 I474	F401-L453 HydrophobicContact CZ-CB 4Å; F401-L453 HydrophobicContact CZ-CD1 4.41Å; L426-L453 HydrophobicContact CD1-CB 4.11Å; L426-L453 HydrophobicContact CD1-CD1 4.39Å; S429-L453 PolarHBondContact O-N 3.48Å; S429-L453 VanDerWaalsContact O-N 3.08Å; V431-L453 HydrophobicContact CB-CD1 4.35Å; V431-L453 HydrophobicContact CG2-CD1 3.64Å; S451-L453 VanDerWaalsContact C-N 3.3Å; S451-L453 PolarHBondContact O-N 3.08Å; L453-H459 HydrophobicContact CD2-CB 4.31Å; L453-H459 WeakPolarHBondContact CD2-ND1 3.33Å; L453-H459 PolarHBondContact O-CD2 2.75Å; L453-I474 HydrophobicContact CD1-CG2 4.24Å; L453-I474 HydrophobicContact CD2-CG2 4.02Å
454	N	95.6	Very high	94.8	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	23%	0.226	C	C	.	.			trans	-110.3	35.1	176.2	73.2	-56.2	0	0	0	111.4	T403 W404 N405 S429 G452 G456	T403-N454 HydrophobicContact CG2-CB 4.25Å; T403-N454 CarbonylContact O-C 3.35Å; T403-N454 VanDerWaalsContact O-CA 3.24Å; T403-N454 WeakPolarHBondContact O-CA 3.22Å; W404-N454 PolarHBondContact O-ND2 3.45Å; W404-N454 VanDerWaalsContact O-ND2 3.09Å; N405-N454 VanDerWaalsContact O-CB 3.23Å; N405-N454 WeakPolarHBondContact O-CB 3.12Å; S429-N454 WeakPolarHBondContact CB-OD1 3.21Å; S429-N454 PolarHBondContact OG-OD1 2.57Å; G452-N454 PolarHBondContact O-N 2.99Å; N454-G456 VanDerWaalsContact C-N 3.34Å
455	D	94.6	Very high	95.2	Very high	56 Å²	56	35.8 Å²	35.8	30%	0.299	21%	0.207	S	C	.	.	S	Bend	trans	-93.2	9	-176.9	67.4	1.6	0	0	0	113.4	W404 Q457 H459	W404-D455 VanDerWaalsContact CH2-O 3.31Å; W404-D455 WeakPolarHBondContact CH2-O 3.23Å; W404-D455 WeakPolarHBondContact CZ3-O 3.4Å; D455-Q457 PolarHBondContact O-N 3.22Å; D455-Q457 WeakPolarHBondContact OD1-CA 3.06Å; D455-Q457 WeakPolarHBondContact OD1-CB 3.39Å; D455-Q457 WeakPolarHBondContact OD1-CG 3.44Å; D455-Q457 PolarHBondContact OD1-N 2.81Å; D455-Q457 PolarHBondContact OD2-OE1 2.85Å; D455-H459 IonicContact OD1-CD2 2.85Å; D455-H459 IonicContact OD1-CE1 3.97Å; D455-H459 IonicContact OD1-NE2 3.84Å; D455-H459 PolarHBondContact OD1-NE2 2.91Å; D455-H459 IonicContact OD2-NE2 2.89Å
456	G	94.9	Very high	95.3	Very high	3 Å²	3	40 Å²	40	3%	0.031	23%	0.225	C	C	.	.	S	Bend	trans	74.8	-2.7	-177	0	0	0	0	0	114.6	R402 T403 N454	R402-G456 WeakPolarHBondContact CD-O 3.33Å; T403-G456 PolarHBondContact O-N 2.98Å; N454-G456 VanDerWaalsContact C-N 3.34Å
457	Q	95.9	Very high	95.1	Very high	39 Å²	39	41.5 Å²	41.5	18%	0.182	23%	0.23	C	C	.	.	S	Bend	trans	-80.7	157.4	173.9	-54.6	-159.3	-113.7	0	0	111	R402 D455 H459	R402-Q457 WeakPolarHBondContact CB-O 3.31Å; D455-Q457 PolarHBondContact O-N 3.22Å; D455-Q457 WeakPolarHBondContact OD1-CA 3.06Å; D455-Q457 WeakPolarHBondContact OD1-CB 3.39Å; D455-Q457 WeakPolarHBondContact OD1-CG 3.44Å; D455-Q457 PolarHBondContact OD1-N 2.81Å; D455-Q457 PolarHBondContact OD2-OE1 2.85Å; Q457-H459 PolarHBondContact O-CD2 3.44Å; Q457-H459 PolarHBondContact O-N 2.8Å
458	W	96.4	Very high	95	Very high	49 Å²	49	44.6 Å²	44.6	19%	0.186	25%	0.246	C	C	.	.			trans	-73.6	122.4	171.2	-74.1	110	0	0	0	110.5	Q400 R402 C520 Q522	Q400-W458 HydrophobicContact CB-CE3 3.96Å; Q400-W458 HydrophobicContact CB-CZ3 4.41Å; R402-W458 HydrophobicContact CB-CD2 4.23Å; R402-W458 HydrophobicContact CB-CE3 4.11Å; R402-W458 HydrophobicContact CG-CD2 3.97Å; R402-W458 HydrophobicContact CG-CE3 3.96Å; R402-W458 HydrophobicContact CG-CH2 4.13Å; R402-W458 HydrophobicContact CG-CZ2 4.12Å; R402-W458 HydrophobicContact CG-CZ3 4.04Å; W458-C520 HydrophobicContact CH2-CB 3.57Å; W458-C520 HydrophobicContact CZ2-CB 4.25Å; W458-C520 HydrophobicContact CZ3-CB 4.21Å; W458-C520 WeakPolarHBondContact CZ3-O 3.41Å; W458-Q522 HydrophobicContact CE3-CG 4.11Å; W458-Q522 HydrophobicContact CH2-CB 4.12Å; W458-Q522 HydrophobicContact CH2-CG 3.76Å; W458-Q522 HydrophobicContact CZ2-CG 4.28Å; W458-Q522 HydrophobicContact CZ3-CB 4.3Å; W458-Q522 HydrophobicContact CZ3-CG 3.68Å
459	H	96.9	Very high	94.8	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.7	172.4	-65.7	-70.6	0	0	0	111.2	Q400 F401 L453 D455 Q457 D475	Q400-H459 CarbonylContact C-O 3.53Å; Q400-H459 WeakPolarHBondContact CA-O 3.25Å; F401-H459 HydrophobicContact CD1-CB 4.41Å; F401-H459 HydrophobicContact CE1-CB 4Å; F401-H459 HydrophobicContact CZ-CB 4.33Å; F401-H459 PolarHBondContact N-O 2.97Å; F401-H459 PolarHBondContact O-N 2.93Å; L453-H459 HydrophobicContact CD2-CB 4.31Å; L453-H459 WeakPolarHBondContact CD2-ND1 3.33Å; L453-H459 PolarHBondContact O-CD2 2.75Å; D455-H459 IonicContact OD1-CD2 2.85Å; D455-H459 IonicContact OD1-CE1 3.97Å; D455-H459 IonicContact OD1-NE2 3.84Å; D455-H459 PolarHBondContact OD1-NE2 2.91Å; D455-H459 IonicContact OD2-NE2 2.89Å; Q457-H459 PolarHBondContact O-CD2 3.44Å; Q457-H459 PolarHBondContact O-N 2.8Å; H459-D475 WeakPolarHBondContact CA-OD1 3.01Å; H459-D475 WeakPolarHBondContact CB-OD1 3.49Å; H459-D475 IonicContact CE1-OD2 3.93Å; H459-D475 IonicContact CG-OD1 3.96Å; H459-D475 IonicContact CG-OD2 3.69Å; H459-D475 IonicContact ND1-OD1 3.84Å; H459-D475 PolarHBondContact ND1-OD1 3.39Å; H459-D475 IonicContact ND1-OD2 3.82Å; H459-D475 PolarHBondContact ND1-OD2 2.89Å
460	E	97.5	Very high	94.8	Very high	38 Å²	38	43.1 Å²	43.1	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.6	177.1	-176.2	172.2	-128	0	0	111	Q400 R462 I474 D475	Q400-E460 HydrophobicContact CG-CB 4.06Å; Q400-E460 HydrophobicContact CG-CG 4.3Å; E460-R462 HydrophobicContact CG-CG 4.46Å; E460-R462 IonicContact OE1-CZ 2.7Å; E460-R462 IonicContact OE1-NE 3.79Å; E460-R462 IonicContact OE1-NH1 3.84Å; E460-R462 PolarHBondContact OE1-NH1 2.9Å; E460-R462 IonicContact OE1-NH2 3.23Å; E460-R462 PolarHBondContact OE1-NH2 3.37Å; E460-R462 IonicContact OE2-CZ 3.3Å; E460-R462 VanDerWaalsContact OE2-CZ 3.26Å; E460-R462 IonicContact OE2-NH1 2.68Å; E460-R462 PolarHBondContact OE2-NH1 2.78Å; E460-R462 IonicContact OE2-NH2 3.47Å; E460-R462 PolarHBondContact OE2-NH2 3.48Å; E460-I474 CarbonylContact O-C 3.57Å; E460-I474 VanDerWaalsContact O-CA 3.28Å; E460-I474 WeakPolarHBondContact O-CA 3.34Å; E460-D475 PolarHBondContact N-OD1 3.36Å; E460-D475 PolarHBondContact O-N 3.37Å
461	V	97.8	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.4	173.4	-178.4	0	0	0	0	108.2	S398 F399 F401 V431 L472 I474	S398-V461 CarbonylContact C-O 3.47Å; S398-V461 WeakPolarHBondContact CA-O 3.17Å; S398-V461 PolarHBondContact OG-O 2.89Å; F399-V461 HydrophobicContact CD1-CB 4.48Å; F399-V461 HydrophobicContact CE1-CB 4.05Å; F399-V461 HydrophobicContact CE1-CG1 4.09Å; F399-V461 HydrophobicContact CE2-CB 4.19Å; F399-V461 HydrophobicContact CE2-CG2 4.1Å; F399-V461 HydrophobicContact CZ-CB 3.89Å; F399-V461 HydrophobicContact CZ-CG1 4.07Å; F399-V461 HydrophobicContact CZ-CG2 4.09Å; F399-V461 PolarHBondContact N-O 2.6Å; F399-V461 PolarHBondContact O-N 2.98Å; F401-V461 HydrophobicContact CD1-CG2 3.7Å; F401-V461 HydrophobicContact CE1-CG2 3.46Å; F401-V461 VanDerWaalsContact CE1-CG2 3.46Å; V431-V461 HydrophobicContact CG1-CG1 4.21Å; V431-V461 HydrophobicContact CG2-CG2 4.02Å; V461-L472 HydrophobicContact CG1-CD1 4.01Å; V461-I474 HydrophobicContact CB-CD1 4.4Å; V461-I474 HydrophobicContact CG1-CD1 4.25Å; V461-I474 HydrophobicContact CG2-CD1 3.98Å
462	R	97.6	Very high	95.1	Very high	101 Å²	101	38.9 Å²	38.9	38%	0.381	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.2	168.9	-71.9	-171.6	172.6	100.3	10.5	109.4	S398 E460 L472 T473	S398-R462 WeakPolarHBondContact OG-CG 3.48Å; E460-R462 HydrophobicContact CG-CG 4.46Å; E460-R462 IonicContact OE1-CZ 2.7Å; E460-R462 IonicContact OE1-NE 3.79Å; E460-R462 IonicContact OE1-NH1 3.84Å; E460-R462 PolarHBondContact OE1-NH1 2.9Å; E460-R462 IonicContact OE1-NH2 3.23Å; E460-R462 PolarHBondContact OE1-NH2 3.37Å; E460-R462 IonicContact OE2-CZ 3.3Å; E460-R462 VanDerWaalsContact OE2-CZ 3.26Å; E460-R462 IonicContact OE2-NH1 2.68Å; E460-R462 PolarHBondContact OE2-NH1 2.78Å; E460-R462 IonicContact OE2-NH2 3.47Å; E460-R462 PolarHBondContact OE2-NH2 3.48Å; R462-L472 WeakPolarHBondContact O-CA 3.44Å; R462-T473 PolarHBondContact N-O 3.16Å; R462-T473 PolarHBondContact O-N 2.78Å
463	F	97.3	Very high	95.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132	174.7	175.4	-105.3	0	0	0	110.8	F395 V397 V422 I424 V433 I435 I447 A465 A470 I471 L472	F395-F463 AromaticContact CD1-CD1 3.85Å; F395-F463 HydrophobicContact CD1-CD1 3.85Å; F395-F463 AromaticContact CD1-CE1 3.67Å; F395-F463 HydrophobicContact CD1-CE1 3.67Å; F395-F463 AromaticContact CE1-CD1 3.77Å; F395-F463 HydrophobicContact CE1-CD1 3.77Å; F395-F463 AromaticContact CE1-CE1 3.81Å; F395-F463 HydrophobicContact CE1-CE1 3.81Å; V397-F463 PolarHBondContact N-O 3.01Å; V397-F463 PolarHBondContact O-N 3.31Å; V422-F463 HydrophobicContact CG2-CE1 3.85Å; V422-F463 HydrophobicContact CG2-CZ 4.28Å; I424-F463 HydrophobicContact CD1-CB 3.9Å; I424-F463 HydrophobicContact CD1-CD1 4.06Å; I424-F463 HydrophobicContact CD1-CG 4.13Å; V433-F463 HydrophobicContact CB-CD2 4.41Å; V433-F463 HydrophobicContact CB-CE2 4.28Å; V433-F463 HydrophobicContact CG1-CD2 4.04Å; V433-F463 HydrophobicContact CG1-CE1 4.17Å; V433-F463 HydrophobicContact CG1-CE2 3.63Å; V433-F463 HydrophobicContact CG1-CG 4.46Å; V433-F463 HydrophobicContact CG1-CZ 3.69Å; V433-F463 HydrophobicContact CG2-CD2 3.88Å; V433-F463 HydrophobicContact CG2-CE2 4.25Å; V433-F463 HydrophobicContact CG2-CG 4.31Å; I435-F463 HydrophobicContact CD1-CE2 4.48Å; I435-F463 HydrophobicContact CD1-CZ 3.85Å; I435-F463 HydrophobicContact CG1-CZ 4.38Å; I447-F463 HydrophobicContact CD1-CD2 4.19Å; I447-F463 HydrophobicContact CD1-CE2 3.85Å; F463-A465 HydrophobicContact CE1-CB 3.9Å; F463-A465 HydrophobicContact CZ-CB 3.71Å; F463-A470 HydrophobicContact CE2-CB 3.93Å; F463-A470 HydrophobicContact CZ-CB 4.14Å; F463-I471 WeakPolarHBondContact CA-O 3.31Å; F463-I471 WeakPolarHBondContact CD2-O 3.35Å; F463-L472 HydrophobicContact CB-CD1 4.38Å; F463-L472 HydrophobicContact CD2-CB 4.43Å
464	L	95.8	Very high	95.2	Very high	50 Å²	50	37.8 Å²	37.8	26%	0.262	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.1	-179.5	-171.4	95.9	0	0	0	109.2	L394 F395 F469 A470 I471	L394-L464 HydrophobicContact CD1-CD1 3.59Å; L394-L464 HydrophobicContact CD1-CD2 4.17Å; L394-L464 HydrophobicContact CD1-CG 3.74Å; L394-L464 HydrophobicContact CD2-CD1 4.06Å; L394-L464 HydrophobicContact CG-CD1 4Å; F395-L464 CarbonylContact O-C 3.49Å; F395-L464 WeakPolarHBondContact O-CA 3.44Å; L464-F469 HydrophobicContact CD2-CE2 4.01Å; L464-F469 HydrophobicContact CD2-CZ 4.42Å; L464-A470 CarbonylContact O-C 3.31Å; L464-A470 VanDerWaalsContact O-CA 3.25Å; L464-A470 WeakPolarHBondContact O-CA 3.5Å; L464-I471 PolarHBondContact N-O 3.5Å; L464-I471 PolarHBondContact O-N 2.05Å
465	A	94.9	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132	171.4	0	0	0	0	0	111.1	F395 F463 A470 L488 V490	F395-A465 HydrophobicContact CB-CB 4.3Å; F395-A465 PolarHBondContact N-O 2.97Å; F395-A465 PolarHBondContact O-N 3.04Å; F463-A465 HydrophobicContact CE1-CB 3.9Å; F463-A465 HydrophobicContact CZ-CB 3.71Å; A465-A470 HydrophobicContact CB-CB 4.06Å; A465-L488 HydrophobicContact CB-CD2 4.06Å; A465-V490 HydrophobicContact CB-CG2 4.03Å
466	K	92.1	Very high	94.9	Very high	98 Å²	98	38.7 Å²	38.7	43%	0.426	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	173.8	177.4	-172.9	166.9	-177.9	177.1	0	108.7	L394 N468 F469	L394-K466 HydrophobicContact CD1-CB 3.89Å; L394-K466 HydrophobicContact CD1-CD 4.24Å; L394-K466 HydrophobicContact CD1-CG 4.35Å; K466-N468 PolarHBondContact O-N 3.34Å; K466-N468 VanDerWaalsContact O-N 3.13Å; K466-F469 HydrophobicContact CB-CD1 4.15Å; K466-F469 HydrophobicContact CB-CE1 3.58Å; K466-F469 HydrophobicContact CB-CE2 4.37Å; K466-F469 HydrophobicContact CB-CZ 3.69Å; K466-F469 HydrophobicContact CD-CE1 3.89Å; K466-F469 HydrophobicContact CD-CZ 4.06Å; K466-F469 HydrophobicContact CG-CE1 3.93Å; K466-F469 HydrophobicContact CG-CZ 4.32Å; K466-F469 PolarHBondContact N-O 3.21Å; K466-F469 PolarHBondContact O-N 2.77Å; K466-F469 VanDerWaalsContact O-N 3.13Å
467	E	89.9	Confident	94.5	Very high	121 Å²	121	42 Å²	42	57%	0.565	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.5	122.3	173.5	-162.7	-173.5	177.7	0	0	112.1	F469 L488	E467-F469 WeakPolarHBondContact O-CD1 3.36Å; E467-F469 PolarHBondContact O-N 2.89Å; E467-F469 VanDerWaalsContact O-N 3.14Å; E467-L488 WeakPolarHBondContact CA-O 3.32Å
468	N	90	Very high	94	Very high	78 Å²	78	45.5 Å²	45.5	42%	0.417	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	6.4	178.3	-56.1	-47.5	0	0	0	117.1	K466 N485 S486 L488	K466-N468 PolarHBondContact O-N 3.34Å; K466-N468 VanDerWaalsContact O-N 3.13Å; N468-N485 CarbonylContact O-C 3.59Å; N468-N485 VanDerWaalsContact O-C 3.25Å; N468-N485 VanDerWaalsContact O-CA 3.24Å; N468-N485 WeakPolarHBondContact O-CA 3.41Å; N468-S486 CarbonylContact C-O 3.5Å; N468-S486 VanDerWaalsContact C-O 3.31Å; N468-S486 WeakPolarHBondContact CA-O 3.29Å; N468-S486 PolarHBondContact O-N 2.81Å; N468-L488 PolarHBondContact N-O 2.83Å
469	F	92.1	Very high	93.4	Very high	60 Å²	60	47.6 Å²	47.6	26%	0.263	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.1	173.2	78.5	-87.8	0	0	0	114.7	L464 K466 E467 I471 T484	L464-F469 HydrophobicContact CD2-CE2 4.01Å; L464-F469 HydrophobicContact CD2-CZ 4.42Å; K466-F469 HydrophobicContact CB-CD1 4.15Å; K466-F469 HydrophobicContact CB-CE1 3.58Å; K466-F469 HydrophobicContact CB-CE2 4.37Å; K466-F469 HydrophobicContact CB-CZ 3.69Å; K466-F469 HydrophobicContact CD-CE1 3.89Å; K466-F469 HydrophobicContact CD-CZ 4.06Å; K466-F469 HydrophobicContact CG-CE1 3.93Å; K466-F469 HydrophobicContact CG-CZ 4.32Å; K466-F469 PolarHBondContact N-O 3.21Å; K466-F469 PolarHBondContact O-N 2.77Å; K466-F469 VanDerWaalsContact O-N 3.13Å; E467-F469 WeakPolarHBondContact O-CD1 3.36Å; E467-F469 PolarHBondContact O-N 2.89Å; E467-F469 VanDerWaalsContact O-N 3.14Å; F469-I471 HydrophobicContact CD2-CD1 4.02Å; F469-I471 HydrophobicContact CD2-CG1 3.87Å; F469-I471 HydrophobicContact CE2-CD1 3.82Å; F469-I471 HydrophobicContact CE2-CG1 4.06Å; F469-T484 CarbonylContact C-O 3.25Å; F469-T484 WeakPolarHBondContact CA-O 3.23Å; F469-T484 WeakPolarHBondContact CB-O 3.41Å
470	A	94.2	Very high	92.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.7	170.5	0	0	0	0	0	111.3	I435 F463 L464 A465 R483 T484 L488	I435-A470 HydrophobicContact CD1-CB 4.1Å; F463-A470 HydrophobicContact CE2-CB 3.93Å; F463-A470 HydrophobicContact CZ-CB 4.14Å; L464-A470 CarbonylContact O-C 3.31Å; L464-A470 VanDerWaalsContact O-CA 3.25Å; L464-A470 WeakPolarHBondContact O-CA 3.5Å; A465-A470 HydrophobicContact CB-CB 4.06Å; A470-R483 WeakPolarHBondContact O-CA 3.5Å; A470-T484 HydrophobicContact CB-CG2 3.82Å; A470-T484 PolarHBondContact N-O 3.36Å; A470-T484 PolarHBondContact O-N 2.87Å; A470-L488 HydrophobicContact CB-CD2 4.36Å
471	I	95.3	Very high	92.5	Very high	29 Å²	29	49.2 Å²	49.2	15%	0.149	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.4	-175.6	-53	-176.1	0	0	0	109.3	F463 L464 F469 A481 V482 R483	F463-I471 WeakPolarHBondContact CA-O 3.31Å; F463-I471 WeakPolarHBondContact CD2-O 3.35Å; L464-I471 PolarHBondContact N-O 3.5Å; L464-I471 PolarHBondContact O-N 2.05Å; F469-I471 HydrophobicContact CD2-CD1 4.02Å; F469-I471 HydrophobicContact CD2-CG1 3.87Å; F469-I471 HydrophobicContact CE2-CD1 3.82Å; F469-I471 HydrophobicContact CE2-CG1 4.06Å; I471-A481 HydrophobicContact CG2-CB 4.44Å; I471-V482 WeakPolarHBondContact CA-O 3.45Å; I471-R483 HydrophobicContact CB-CG 4.48Å; I471-R483 HydrophobicContact CD1-CG 4.23Å; I471-R483 HydrophobicContact CG1-CB 4.45Å; I471-R483 HydrophobicContact CG1-CG 3.96Å; I471-R483 HydrophobicContact CG2-CG 4.08Å
472	L	97	Very high	92.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.2	170.1	174.1	68.2	0	0	0	109.6	V431 V433 I447 V461 R462 F463 I474 A481 V482	V431-L472 HydrophobicContact CG1-CD1 4.09Å; V431-L472 HydrophobicContact CG1-CD2 4.21Å; V433-L472 HydrophobicContact CG2-CD1 4.04Å; V433-L472 HydrophobicContact CG2-CD2 4.11Å; V433-L472 HydrophobicContact CG2-CG 4.5Å; I447-L472 HydrophobicContact CD1-CB 3.56Å; I447-L472 HydrophobicContact CG1-CB 4.27Å; I447-L472 HydrophobicContact CG1-CD2 4.44Å; V461-L472 HydrophobicContact CG1-CD1 4.01Å; R462-L472 WeakPolarHBondContact O-CA 3.44Å; F463-L472 HydrophobicContact CB-CD1 4.38Å; F463-L472 HydrophobicContact CD2-CB 4.43Å; L472-I474 HydrophobicContact CD1-CD1 4.01Å; L472-I474 HydrophobicContact CG-CD1 4.32Å; L472-A481 WeakPolarHBondContact O-CA 3.33Å; L472-V482 PolarHBondContact N-O 2.94Å; L472-V482 PolarHBondContact O-N 2.92Å
473	T	96.8	Very high	91.9	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.1	175.3	-52.3	0	0	0	0	109.4	R462 A481	R462-T473 PolarHBondContact N-O 3.16Å; R462-T473 PolarHBondContact O-N 2.78Å; T473-A481 HydrophobicContact CG2-CB 4.38Å; T473-A481 WeakPolarHBondContact OG1-CB 3.15Å
474	I	96.6	Very high	91.6	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.056	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	177.6	-55.5	-61.7	0	0	0	109	V431 L453 E460 V461 L472 G476 D477	V431-I474 HydrophobicContact CB-CD1 3.83Å; V431-I474 HydrophobicContact CG1-CD1 4.1Å; V431-I474 HydrophobicContact CG2-CD1 3.98Å; L453-I474 HydrophobicContact CD1-CG2 4.24Å; L453-I474 HydrophobicContact CD2-CG2 4.02Å; E460-I474 CarbonylContact O-C 3.57Å; E460-I474 VanDerWaalsContact O-CA 3.28Å; E460-I474 WeakPolarHBondContact O-CA 3.34Å; V461-I474 HydrophobicContact CB-CD1 4.4Å; V461-I474 HydrophobicContact CG1-CD1 4.25Å; V461-I474 HydrophobicContact CG2-CD1 3.98Å; L472-I474 HydrophobicContact CD1-CD1 4.01Å; L472-I474 HydrophobicContact CG-CD1 4.32Å; I474-G476 PolarHBondContact O-N 2.88Å; I474-D477 PolarHBondContact O-N 3.04Å
475	D	94.6	Very high	91.2	Very high	80 Å²	80	59.7 Å²	59.7	43%	0.428	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	23.7	177.9	-65.3	-21.7	0	0	0	115.1	H459 E460 D477	H459-D475 WeakPolarHBondContact CA-OD1 3.01Å; H459-D475 WeakPolarHBondContact CB-OD1 3.49Å; H459-D475 IonicContact CE1-OD2 3.93Å; H459-D475 IonicContact CG-OD1 3.96Å; H459-D475 IonicContact CG-OD2 3.69Å; H459-D475 IonicContact ND1-OD1 3.84Å; H459-D475 PolarHBondContact ND1-OD1 3.39Å; H459-D475 IonicContact ND1-OD2 3.82Å; H459-D475 PolarHBondContact ND1-OD2 2.89Å; E460-D475 PolarHBondContact N-OD1 3.36Å; E460-D475 PolarHBondContact O-N 3.37Å; D475-D477 PolarHBondContact O-N 2.86Å
476	G	89.9	Confident	90.7	Very high	32 Å²	32	61 Å²	61	33%	0.33	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	12.5	-176.1	0	0	0	0	0	114.2	I474 E478	I474-G476 PolarHBondContact O-N 2.88Å; G476-E478 PolarHBondContact O-N 3.17Å
477	D	87	Confident	90.4	Very high	74 Å²	74	59.8 Å²	59.8	40%	0.396	34%	0.335	S	S	.	.			trans	-77.6	86.2	176.9	-176.2	13.4	0	0	0	110.9	I474 D475 A479 S480 A481	I474-D477 PolarHBondContact O-N 3.04Å; D475-D477 PolarHBondContact O-N 2.86Å; D477-A479 PolarHBondContact O-N 3.38Å; D477-A479 WeakPolarHBondContact OD1-CB 3.49Å; D477-A479 PolarHBondContact OD1-N 3.04Å; D477-A479 VanDerWaalsContact OD1-N 3.11Å; D477-S480 PolarHBondContact O-N 3.23Å; D477-S480 WeakPolarHBondContact OD2-CB 3.35Å; D477-S480 PolarHBondContact OD2-OG 3.39Å; D477-A481 PolarHBondContact O-N 3.44Å
478	E	85.3	Confident	90.2	Very high	111 Å²	111	54.2 Å²	54.2	52%	0.519	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22.9	176.7	-68.8	-63.7	148.9	0	0	113.3	G476 S480	G476-E478 PolarHBondContact O-N 3.17Å; E478-S480 VanDerWaalsContact C-N 3.31Å
479	A	83.8	Confident	90.2	Very high	94 Å²	94	55.6 Å²	55.6	78%	0.777	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73	-27.2	177.3	0	0	0	0	0	112.1	D477	D477-A479 PolarHBondContact O-N 3.38Å; D477-A479 WeakPolarHBondContact OD1-CB 3.49Å; D477-A479 PolarHBondContact OD1-N 3.04Å; D477-A479 VanDerWaalsContact OD1-N 3.11Å
480	S	83.2	Confident	90	Very high	66 Å²	66	53.2 Å²	53.2	46%	0.462	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-102.5	10.4	178.6	-58	0	0	0	0	113.2	D477 E478 V482	D477-S480 PolarHBondContact O-N 3.23Å; D477-S480 WeakPolarHBondContact OD2-CB 3.35Å; D477-S480 PolarHBondContact OD2-OG 3.39Å; E478-S480 VanDerWaalsContact C-N 3.31Å; S480-V482 PolarHBondContact O-N 3.32Å
481	A	90.9	Very high	90	Very high	20 Å²	20	56.5 Å²	56.5	17%	0.165	32%	0.318	C	S	.	.			trans	-65.3	127.8	178.9	0	0	0	0	0	111.5	I471 L472 T473 D477	I471-A481 HydrophobicContact CG2-CB 4.44Å; L472-A481 WeakPolarHBondContact O-CA 3.33Å; T473-A481 HydrophobicContact CG2-CB 4.38Å; T473-A481 WeakPolarHBondContact OG1-CB 3.15Å; D477-A481 PolarHBondContact O-N 3.44Å
482	V	90.9	Very high	89.9	Confident	46 Å²	46	55.1 Å²	55.1	28%	0.279	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.3	-180	179.3	0	0	0	0	109	I447 I471 L472 S480	I447-V482 HydrophobicContact CB-CG1 3.93Å; I447-V482 HydrophobicContact CG2-CG1 4Å; I471-V482 WeakPolarHBondContact CA-O 3.45Å; L472-V482 PolarHBondContact N-O 2.94Å; L472-V482 PolarHBondContact O-N 2.92Å; S480-V482 PolarHBondContact O-N 3.32Å
483	R	92	Very high	89.6	Confident	158 Å²	158	55.4 Å²	55.4	60%	0.596	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.8	-178.2	-55.2	-171.5	178.6	-179.4	-0.6	110.3	A470 I471	A470-R483 WeakPolarHBondContact O-CA 3.5Å; I471-R483 HydrophobicContact CB-CG 4.48Å; I471-R483 HydrophobicContact CD1-CG 4.23Å; I471-R483 HydrophobicContact CG1-CB 4.45Å; I471-R483 HydrophobicContact CG1-CG 3.96Å; I471-R483 HydrophobicContact CG2-CG 4.08Å
484	T	90.8	Very high	89.2	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.16	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.6	174.2	-178.4	0	0	0	0	110.1	I445 I447 F469 A470 S486	I445-T484 HydrophobicContact CG2-CG2 3.85Å; I447-T484 HydrophobicContact CG2-CG2 3.84Å; F469-T484 CarbonylContact C-O 3.25Å; F469-T484 WeakPolarHBondContact CA-O 3.23Å; F469-T484 WeakPolarHBondContact CB-O 3.41Å; A470-T484 HydrophobicContact CB-CG2 3.82Å; A470-T484 PolarHBondContact N-O 3.36Å; A470-T484 PolarHBondContact O-N 2.87Å; T484-S486 PolarHBondContact OG1-OG 3.16Å
485	N	87.5	Confident	89	Confident	141 Å²	141	64.8 Å²	64.8	75%	0.754	36%	0.355	S	S	*	.			trans	-112.1	51	179.9	-65.4	-39.9	0	0	0	110.5	N468	N468-N485 CarbonylContact O-C 3.59Å; N468-N485 VanDerWaalsContact O-C 3.25Å; N468-N485 VanDerWaalsContact O-CA 3.24Å; N468-N485 WeakPolarHBondContact O-CA 3.41Å
486	S	86	Confident	89.1	Confident	28 Å²	28	61 Å²	61	20%	0.196	33%	0.334	C	S	.	.			trans	-92.2	145.4	-178.5	-74	0	0	0	0	111.5	N468 T484 L488	N468-S486 CarbonylContact C-O 3.5Å; N468-S486 VanDerWaalsContact C-O 3.31Å; N468-S486 WeakPolarHBondContact CA-O 3.29Å; N468-S486 PolarHBondContact O-N 2.81Å; T484-S486 PolarHBondContact OG1-OG 3.16Å; S486-L488 WeakPolarHBondContact O-CB 3.48Å; S486-L488 PolarHBondContact O-N 3.25Å
487	P	85	Confident	89.3	Confident	73 Å²	73	60.5 Å²	60.5	47%	0.474	32%	0.324	S	S	.	.			trans	-47.6	111.8	169.5	-30.1	32.4	0	0	0	112	M442	M442-P487 HydrophobicContact CE-CB 4.19Å; M442-P487 HydrophobicContact CE-CG 4.06Å
488	L	86.3	Confident	89.8	Confident	3 Å²	3	57 Å²	57	2%	0.016	31%	0.305	C	S	.	.			trans	-149.4	129.4	-174.1	175.8	63.3	0	0	0	108.3	F415 I435 I437 I445 A465 E467 N468 A470 S486 V490	F415-L488 HydrophobicContact CE2-CD1 4.45Å; I435-L488 HydrophobicContact CD1-CD2 4.11Å; I435-L488 HydrophobicContact CG2-CD1 3.87Å; I437-L488 HydrophobicContact CD1-CD1 3.89Å; I437-L488 HydrophobicContact CG1-CD1 4.1Å; I445-L488 HydrophobicContact CD1-CB 4.07Å; I445-L488 HydrophobicContact CD1-CD1 4.31Å; I445-L488 HydrophobicContact CD1-CD2 4.43Å; I445-L488 HydrophobicContact CD1-CG 4.49Å; A465-L488 HydrophobicContact CB-CD2 4.06Å; E467-L488 WeakPolarHBondContact CA-O 3.32Å; N468-L488 PolarHBondContact N-O 2.83Å; A470-L488 HydrophobicContact CB-CD2 4.36Å; S486-L488 WeakPolarHBondContact O-CB 3.48Å; S486-L488 PolarHBondContact O-N 3.25Å; L488-V490 HydrophobicContact CD1-CG2 4.12Å; L488-V490 HydrophobicContact CD2-CG2 3.78Å; L488-V490 HydrophobicContact CG-CG2 3.68Å
489	Q	88.6	Confident	90.2	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	28%	0.28	S	S	.	.			trans	-113.2	134.6	167.8	-74.1	-176.3	2.6	0	0	108.5	L419	L419-Q489 HydrophobicContact CD1-CB 4.48Å; L419-Q489 HydrophobicContact CD2-CB 4Å
490	V	88.9	Confident	90.5	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	24%	0.244	C	C	.	.			trans	-127.5	127.6	-174.5	-179.5	0	0	0	0	108.7	F395 F415 A465 L488	F395-V490 HydrophobicContact CB-CG1 3.43Å; F395-V490 VanDerWaalsContact CB-CG1 3.43Å; F415-V490 HydrophobicContact CD1-CG1 4.08Å; F415-V490 HydrophobicContact CE1-CG1 3.81Å; F415-V490 HydrophobicContact CZ-CG1 4.42Å; F415-V490 HydrophobicContact CZ-CG2 4.37Å; A465-V490 HydrophobicContact CB-CG2 4.03Å; L488-V490 HydrophobicContact CD1-CG2 4.12Å; L488-V490 HydrophobicContact CD2-CG2 3.78Å; L488-V490 HydrophobicContact CG-CG2 3.68Å
491	K	93.1	Very high	90.4	Very high	70 Å²	70	47.2 Å²	47.2	30%	0.304	24%	0.235	S	C	.	.			trans	-132.2	124.5	159.6	-69.6	-175.6	178.7	-178.3	0	108.4	Q392 F415 A416 D417 L419	Q392-K491 VanDerWaalsContact O-CA 3.31Å; Q392-K491 WeakPolarHBondContact O-CA 3.35Å; F415-K491 CarbonylContact C-O 3.53Å; F415-K491 WeakPolarHBondContact CA-O 3.23Å; F415-K491 WeakPolarHBondContact CB-O 3.49Å; A416-K491 HydrophobicContact CB-CB 3.9Å; A416-K491 PolarHBondContact N-O 2.68Å; D417-K491 WeakPolarHBondContact OD2-CD 3.29Å; D417-K491 WeakPolarHBondContact OD2-CE 3.29Å; D417-K491 IonicContact OD2-NZ 2.68Å; D417-K491 PolarHBondContact OD2-NZ 3.17Å; L419-K491 HydrophobicContact CD1-CB 3.85Å; L419-K491 HydrophobicContact CD1-CD 4.26Å; L419-K491 HydrophobicContact CD1-CG 3.86Å
492	T	93.8	Very high	89.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	142	-179.2	51.9	0	0	0	0	111.8	R389 N391 Q392 L394 F395 A416 D527	R389-T492 WeakPolarHBondContact O-CB 3.39Å; R389-T492 PolarHBondContact O-OG1 3.49Å; N391-T492 PolarHBondContact N-O 3.18Å; Q392-T492 WeakPolarHBondContact CA-OG1 3.15Å; Q392-T492 HydrophobicContact CB-CG2 3.98Å; Q392-T492 VanDerWaalsContact CB-OG1 3.31Å; Q392-T492 WeakPolarHBondContact CB-OG1 3.38Å; Q392-T492 PolarHBondContact N-OG1 2.83Å; Q392-T492 PolarHBondContact O-N 3.13Å; L394-T492 VanDerWaalsContact O-CG2 3.27Å; L394-T492 WeakPolarHBondContact O-CG2 3.41Å; F395-T492 HydrophobicContact CB-CG2 4.18Å; F395-T492 HydrophobicContact CD2-CG2 4.23Å; A416-T492 WeakPolarHBondContact CB-O 3.11Å; T492-D527 WeakPolarHBondContact CG2-OD1 3.22Å
493	G	90.1	Very high	87.9	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-176.1	175.7	0	0	0	0	0	113.4	H414	H414-G493 WeakPolarHBondContact O-CA 3.34Å; H414-G493 PolarHBondContact O-N 3.44Å
494	E	90.2	Very high	85.9	Confident	122 Å²	122	55.1 Å²	55.1	57%	0.57	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	-17.8	-179.2	-58.7	-173.2	163	0	0	114	G388 L390	G388-E494 PolarHBondContact N-O 3.11Å; L390-E494 HydrophobicContact CB-CG 4.37Å; L390-E494 HydrophobicContact CD1-CG 3.76Å; L390-E494 HydrophobicContact CD2-CG 4.29Å; L390-E494 HydrophobicContact CG-CG 4.35Å
495	K	92.4	Very high	83.9	Confident	93 Å²	93	58.4 Å²	58.4	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.4	-163.8	-64.2	176.2	175.8	-143.2	0	111.7	E385 S413 F497	E385-K495 WeakPolarHBondContact OE1-CD 3.2Å; E385-K495 WeakPolarHBondContact OE1-CE 3.49Å; E385-K495 IonicContact OE1-NZ 3.79Å; E385-K495 PolarHBondContact OE1-NZ 2.88Å; S413-K495 PolarHBondContact OG-O 3.01Å; S413-K495 VanDerWaalsContact OG-O 3.13Å; K495-F497 HydrophobicContact CB-CE2 4.11Å; K495-F497 HydrophobicContact CB-CZ 4.32Å; K495-F497 HydrophobicContact CD-CZ 4.31Å
496	Y	95.3	Very high	81.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.3	174.7	-68.2	-108.8	0	0	0	108.6	E385 V386 F395 V397 V526 D527	E385-Y496 WeakPolarHBondContact CA-O 3.27Å; V386-Y496 PolarHBondContact N-O 2.85Å; V386-Y496 PolarHBondContact O-N 2.74Å; F395-Y496 HydrophobicContact CD2-CE1 4.02Å; F395-Y496 WeakPolarHBondContact CD2-OH 3.49Å; F395-Y496 HydrophobicContact CE1-CE1 4.26Å; F395-Y496 HydrophobicContact CE2-CD1 4.16Å; F395-Y496 AromaticContact CE2-CE1 3.19Å; F395-Y496 HydrophobicContact CE2-CE1 3.19Å; F395-Y496 AromaticContact CE2-CZ 3.6Å; F395-Y496 WeakPolarHBondContact CE2-OH 3.1Å; F395-Y496 HydrophobicContact CZ-CD1 4.05Å; F395-Y496 AromaticContact CZ-CE1 3.33Å; F395-Y496 HydrophobicContact CZ-CE1 3.33Å; V397-Y496 HydrophobicContact CG2-CD1 3.73Å; V397-Y496 HydrophobicContact CG2-CE1 3.47Å; V397-Y496 VanDerWaalsContact CG2-CE1 3.47Å; Y496-V526 HydrophobicContact CD1-CG1 3.96Å; Y496-V526 HydrophobicContact CD1-CG2 4.24Å; Y496-V526 HydrophobicContact CD2-CG1 3.37Å; Y496-V526 HydrophobicContact CE1-CG1 3.85Å; Y496-V526 HydrophobicContact CE2-CG1 3.27Å; Y496-V526 HydrophobicContact CG-CG1 3.74Å; Y496-V526 HydrophobicContact CG-CG2 4.14Å; Y496-D527 PolarHBondContact OH-OD1 3.36Å
497	F	94.8	Very high	79.7	Confident	23 Å²	23	65 Å²	65	10%	0.101	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.6	-179.6	-63.2	-84.7	0	0	0	109.7	E385 V411 F412 K495 G500 F501	E385-F497 HydrophobicContact CB-CD1 3.95Å; E385-F497 HydrophobicContact CB-CE1 3.88Å; E385-F497 HydrophobicContact CG-CD1 4.12Å; E385-F497 HydrophobicContact CG-CE1 3.68Å; E385-F497 HydrophobicContact CG-CZ 4.21Å; V411-F497 CarbonylContact C-O 3.47Å; V411-F497 VanDerWaalsContact CA-O 3.25Å; V411-F497 WeakPolarHBondContact CA-O 3.2Å; F412-F497 HydrophobicContact CB-CB 4.42Å; F412-F497 HydrophobicContact CD1-CD2 4.14Å; F412-F497 PolarHBondContact N-O 3.44Å; F412-F497 PolarHBondContact O-N 2.83Å; K495-F497 HydrophobicContact CB-CE2 4.11Å; K495-F497 HydrophobicContact CB-CZ 4.32Å; K495-F497 HydrophobicContact CD-CZ 4.31Å; F497-G500 WeakPolarHBondContact CB-O 3.03Å; F497-F501 HydrophobicContact CB-CB 4.22Å; F497-F501 HydrophobicContact CD1-CB 4.26Å; F497-F501 HydrophobicContact CG-CB 4.16Å
498	F	96.7	Very high	77.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.7	177.3	-71.8	-101.4	0	0	0	110.8	F378 Y383 L384 V386 V397 F399 L410 V411 G500 M521 I524 V526	F378-F498 HydrophobicContact CE1-CB 4.39Å; F378-F498 WeakPolarHBondContact CE1-O 3.15Å; F378-F498 HydrophobicContact CZ-CB 4.25Å; Y383-F498 WeakPolarHBondContact CA-O 3.34Å; L384-F498 HydrophobicContact CB-CB 4.21Å; L384-F498 PolarHBondContact N-O 3.18Å; L384-F498 PolarHBondContact O-N 2.78Å; V386-F498 HydrophobicContact CG2-CD2 3.98Å; V386-F498 HydrophobicContact CG2-CE2 3.6Å; V397-F498 HydrophobicContact CG1-CE1 4.25Å; V397-F498 HydrophobicContact CG1-CZ 4.02Å; F399-F498 AromaticContact CD1-CE1 3.84Å; F399-F498 HydrophobicContact CD1-CE1 3.84Å; F399-F498 HydrophobicContact CE1-CE1 4.3Å; F399-F498 HydrophobicContact CG-CE1 4.2Å; L410-F498 CarbonylContact O-C 3.56Å; L410-F498 VanDerWaalsContact O-CA 3.29Å; L410-F498 WeakPolarHBondContact O-CA 3.38Å; V411-F498 HydrophobicContact CG1-CE1 4.45Å; V411-F498 HydrophobicContact CG1-CZ 4.33Å; V411-F498 HydrophobicContact CG2-CD1 3.63Å; V411-F498 HydrophobicContact CG2-CE1 3.46Å; V411-F498 VanDerWaalsContact CG2-CE1 3.46Å; V411-F498 HydrophobicContact CG2-CG 4.42Å; V411-F498 HydrophobicContact CG2-CZ 4.11Å; F498-G500 PolarHBondContact O-N 3.36Å; F498-M521 HydrophobicContact CB-SD 4.21Å; F498-M521 HydrophobicContact CD1-SD 3.84Å; F498-I524 HydrophobicContact CD1-CD1 4.31Å; F498-I524 HydrophobicContact CD1-CG2 4.38Å; F498-I524 HydrophobicContact CD2-CG2 4.45Å; F498-I524 HydrophobicContact CE1-CG1 4.48Å; F498-I524 HydrophobicContact CE1-CG2 3.7Å; F498-I524 HydrophobicContact CE2-CG2 3.8Å; F498-I524 HydrophobicContact CZ-CG2 3.38Å; F498-V526 HydrophobicContact CE2-CG2 3.97Å; F498-V526 HydrophobicContact CZ-CG2 3.96Å
499	G	93.8	Very high	75.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	73.1	-20.2	175.3	0	0	0	0	0	116.6	S382 L409 L410 S516 F517	S382-G499 CarbonylContact O-C 3.56Å; L409-G499 CarbonylContact O-C 3.49Å; L409-G499 VanDerWaalsContact O-CA 3.22Å; L409-G499 WeakPolarHBondContact O-CA 3.11Å; L410-G499 PolarHBondContact O-N 2.86Å; G499-S516 CarbonylContact O-C 3.56Å; G499-S516 VanDerWaalsContact O-CA 3.24Å; G499-S516 WeakPolarHBondContact O-CA 3.47Å; G499-S516 VanDerWaalsContact O-CB 3.32Å; G499-S516 WeakPolarHBondContact O-CB 3.36Å; G499-F517 PolarHBondContact O-N 2.86Å
500	G	90.3	Very high	73.9	Confident	2 Å²	2	67 Å²	67	2%	0.021	35%	0.35	C	S	.	.			trans	177.8	177.9	-176.2	0	0	0	0	0	110.5	Y383 F497 F498	Y383-G500 VanDerWaalsContact CB-C 3.47Å; Y383-G500 VanDerWaalsContact CB-O 3.31Å; Y383-G500 WeakPolarHBondContact CB-O 3.13Å; F497-G500 WeakPolarHBondContact CB-O 3.03Å; F498-G500 PolarHBondContact O-N 3.36Å
501	F	81.6	Confident	71.9	Confident	63 Å²	63	70.2 Å²	70.2	28%	0.276	37%	0.373	S	S	.	.			trans	-145.5	167.4	172.5	59.4	-91	0	0	0	111.2	L409 F497 N503	L409-F501 HydrophobicContact CD2-CD1 3.49Å; L409-F501 VanDerWaalsContact CD2-CD1 3.49Å; L409-F501 HydrophobicContact CD2-CE1 3.67Å; F497-F501 HydrophobicContact CB-CB 4.22Å; F497-F501 HydrophobicContact CD1-CB 4.26Å; F497-F501 HydrophobicContact CG-CB 4.16Å; F501-N503 PolarHBondContact O-N 2.82Å
502	L	70.7	Confident	69.7	Low	76 Å²	76	73 Å²	73	40%	0.398	40%	0.396	S	S	.	.			trans	-75.9	124.3	-176	-152.1	86.8	0	0	0	111.2	Y383 Q504 M505	Y383-L502 HydrophobicContact CD1-CD1 4.45Å; Y383-L502 HydrophobicContact CE1-CD1 3.55Å; L502-Q504 HydrophobicContact CD2-CB 4.16Å; L502-Q504 HydrophobicContact CD2-CG 4.13Å; L502-Q504 PolarHBondContact O-N 3.18Å; L502-M505 PolarHBondContact O-N 3.36Å
503	N	58.4	Low	67.8	Low	141 Å²	141	80.3 Å²	80.3	75%	0.754	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-12.7	179.6	-85.8	-11.1	0	0	0	115.7	F501 M505	F501-N503 PolarHBondContact O-N 2.82Å; N503-M505 PolarHBondContact O-N 3.22Å; N503-M505 VanDerWaalsContact O-N 3.14Å
504	Q	50.2	Low	66.6	Low	173 Å²	173	82.9 Å²	82.9	81%	0.808	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.4	177.5	-66.6	-172.5	-8.6	0	0	113.5	L502 N506	L502-Q504 HydrophobicContact CD2-CB 4.16Å; L502-Q504 HydrophobicContact CD2-CG 4.13Å; L502-Q504 PolarHBondContact O-N 3.18Å; Q504-N506 PolarHBondContact O-N 2.78Å
505	M	49.2	Very low	66.1	Low	96 Å²	96	80.5 Å²	80.5	47%	0.473	44%	0.44	S	S	.	.			trans	-73.7	40.2	170.6	-131	89.6	-178.4	0	0	112.3	L502 N503 N507	L502-M505 PolarHBondContact O-N 3.36Å; N503-M505 PolarHBondContact O-N 3.22Å; N503-M505 VanDerWaalsContact O-N 3.14Å; M505-N507 PolarHBondContact O-N 2.83Å
506	N	39.8	Very low	66	Low	134 Å²	134	77.8 Å²	77.8	72%	0.717	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	22.7	-169.1	-146.5	9.9	0	0	0	114.1	Q504	Q504-N506 PolarHBondContact O-N 2.78Å
507	N	45	Very low	65.9	Low	174 Å²	174	77.9 Å²	77.9	93%	0.93	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	0.1	-176.2	-104.5	-0.3	0	0	0	114.8	M505	M505-N507 PolarHBondContact O-N 2.83Å
508	S	45.2	Very low	65.9	Low	54 Å²	54	78.6 Å²	78.6	38%	0.378	44%	0.436	S	S	.	.	S	Bend	trans	-118	144.4	169.6	40.3	0	0	0	0	109.6	H510	S508-H510 PolarHBondContact O-N 2.78Å; S508-H510 PolarHBondContact OG-CD2 3.02Å; S508-H510 PolarHBondContact OG-NE2 3.14Å
509	S	44.2	Very low	65.9	Low	131 Å²	131	78.6 Å²	78.6	92%	0.916	44%	0.436	S	S	*	.			trans	-63.7	44.4	-177.2	53.7	0	0	0	0	114.3
510	H	49.2	Very low	66.1	Low	38 Å²	38	78.6 Å²	78.6	18%	0.176	44%	0.436	C	S	.	.			trans	-70.9	134.7	172.6	-71.2	-81.4	0	0	0	108.8	F412 N421 S508 V512	F412-H510 AromaticContact CE2-CE1 3.55Å; F412-H510 AromaticContact CZ-CE1 3.58Å; F412-H510 AromaticContact CZ-NE2 3.96Å; N421-H510 PolarHBondContact ND2-CE1 3.45Å; S508-H510 PolarHBondContact O-N 2.78Å; S508-H510 PolarHBondContact OG-CD2 3.02Å; S508-H510 PolarHBondContact OG-NE2 3.14Å; H510-V512 PolarHBondContact O-N 2.8Å
511	S	45.1	Very low	66.5	Low	79 Å²	79	78.5 Å²	78.5	55%	0.552	44%	0.435	S	S	*	.			trans	-57.4	102.8	164.3	37.9	0	0	0	0	107.7	L513	S511-L513 PolarHBondContact O-N 2.9Å
512	V	47.6	Very low	67.2	Low	127 Å²	127	76.4 Å²	76.4	77%	0.77	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	18	175.6	177.8	0	0	0	0	112.7	H510	H510-V512 PolarHBondContact O-N 2.8Å
513	L	54.8	Low	68.4	Low	155 Å²	155	75.4 Å²	75.4	81%	0.812	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-8.7	-160.9	-72.9	168.9	0	0	0	114.5	S511	S511-L513 PolarHBondContact O-N 2.9Å
514	Q	64.4	Low	70.2	Confident	59 Å²	59	68.8 Å²	68.8	28%	0.276	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-76.9	126.8	176.5	-100.1	172.6	-9.7	0	0	110.9	E423 D425	E423-Q514 VanDerWaalsContact CD-OE1 3.29Å; E423-Q514 PolarHBondContact OE1-NE2 2.57Å; E423-Q514 PolarHBondContact OE1-OE1 3.03Å; D425-Q514 PolarHBondContact OD2-NE2 3.07Å
515	P	80.2	Confident	72.4	Confident	73 Å²	73	63.8 Å²	63.8	47%	0.474	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.3	143.1	175.3	28	-32	0	0	0	110.4	N407 G408 L409	N407-P515 HydrophobicContact CB-CG 4.38Å; G408-P515 WeakPolarHBondContact CA-O 3.4Å; L409-P515 PolarHBondContact N-O 3.21Å
516	S	88.5	Confident	74.6	Confident	35 Å²	35	59.5 Å²	59.5	25%	0.245	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-60.1	143.9	168.6	-57.3	0	0	0	0	110.4	A380 G499 Q518	A380-S516 WeakPolarHBondContact O-CB 3.1Å; G499-S516 CarbonylContact O-C 3.56Å; G499-S516 VanDerWaalsContact O-CA 3.24Å; G499-S516 WeakPolarHBondContact O-CA 3.47Å; G499-S516 VanDerWaalsContact O-CB 3.32Å; G499-S516 WeakPolarHBondContact O-CB 3.36Å; S516-Q518 PolarHBondContact O-N 2.93Å
517	F	94.8	Very high	77.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.009	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.7	133.6	175.2	170.6	-99.8	0	0	0	111.2	F378 F401 T403 L409 L410 G499 G519 M521	F378-F517 HydrophobicContact CB-CD1 3.82Å; F378-F517 HydrophobicContact CB-CE1 4.25Å; F378-F517 WeakPolarHBondContact CB-O 3.46Å; F378-F517 HydrophobicContact CD2-CD1 4.14Å; F378-F517 HydrophobicContact CD2-CE1 4.08Å; F378-F517 AromaticContact CG-CD1 3.93Å; F378-F517 HydrophobicContact CG-CD1 3.93Å; F378-F517 HydrophobicContact CG-CE1 4.31Å; F401-F517 HydrophobicContact CB-CE2 4.45Å; F401-F517 HydrophobicContact CB-CZ 4.05Å; F401-F517 AromaticContact CD2-CE2 3.83Å; F401-F517 HydrophobicContact CD2-CE2 3.83Å; F401-F517 HydrophobicContact CD2-CZ 4.16Å; T403-F517 HydrophobicContact CG2-CE2 3.98Å; L409-F517 WeakPolarHBondContact O-CB 3.44Å; L410-F517 HydrophobicContact CD2-CD2 3.42Å; L410-F517 VanDerWaalsContact CD2-CD2 3.42Å; L410-F517 HydrophobicContact CD2-CE2 3.67Å; L410-F517 HydrophobicContact CD2-CG 4.05Å; L410-F517 HydrophobicContact CD2-CZ 4.46Å; G499-F517 PolarHBondContact O-N 2.86Å; F517-G519 VanDerWaalsContact CE1-CA 3.48Å; F517-M521 HydrophobicContact CD1-CE 3.59Å; F517-M521 HydrophobicContact CD1-CG 4.47Å; F517-M521 HydrophobicContact CD2-CE 4.38Å; F517-M521 HydrophobicContact CE1-CE 3.71Å; F517-M521 HydrophobicContact CE1-CG 3.78Å; F517-M521 HydrophobicContact CE1-SD 4.47Å; F517-M521 HydrophobicContact CE2-CE 4.47Å; F517-M521 HydrophobicContact CG-CE 3.94Å; F517-M521 HydrophobicContact CZ-CE 4.15Å; F517-M521 HydrophobicContact CZ-CG 4.25Å
518	Q	95	Very high	79.2	Confident	38 Å²	38	49.3 Å²	49.3	18%	0.178	29%	0.287	C	S	.	.			trans	-114.7	127	167.4	-56.2	-172.7	-102.1	0	0	108	F378 A380 T403 N405 S516 W573	F378-Q518 WeakPolarHBondContact O-CA 3.4Å; A380-Q518 HydrophobicContact CB-CG 4.17Å; T403-Q518 VanDerWaalsContact CB-O 3.31Å; T403-Q518 WeakPolarHBondContact CB-O 3.35Å; T403-Q518 PolarHBondContact OG1-O 2.8Å; N405-Q518 PolarHBondContact ND2-OE1 3.38Å; S516-Q518 PolarHBondContact O-N 2.93Å; Q518-W573 HydrophobicContact CB-CB 4.4Å; Q518-W573 HydrophobicContact CB-CD2 3.67Å; Q518-W573 HydrophobicContact CB-CE3 4.03Å; Q518-W573 HydrophobicContact CB-CG 3.87Å; Q518-W573 HydrophobicContact CB-CZ2 4.33Å
519	G	96.7	Very high	81.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.4	-164.6	-170.5	0	0	0	0	0	112	F378 R402 F517 W573	F378-G519 PolarHBondContact N-O 2.94Å; F378-G519 PolarHBondContact O-N 3.45Å; F378-G519 VanDerWaalsContact O-N 3.12Å; R402-G519 VanDerWaalsContact O-CA 3.28Å; R402-G519 WeakPolarHBondContact O-CA 3.35Å; F517-G519 VanDerWaalsContact CE1-CA 3.48Å; G519-W573 VanDerWaalsContact N-CH2 3.3Å
520	C	97.9	Very high	83.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.1	171.8	-55.1	0	0	0	0	109.9	V376 F401 R402 W458 C552	V376-C520 CarbonylContact O-C 3.52Å; V376-C520 VanDerWaalsContact O-CA 3.23Å; V376-C520 WeakPolarHBondContact O-CA 3.23Å; F401-C520 CarbonylContact C-O 3.54Å; F401-C520 WeakPolarHBondContact CA-O 3.49Å; R402-C520 HydrophobicContact CG-CB 4.1Å; R402-C520 PolarHBondContact N-O 2.81Å; R402-C520 PolarHBondContact O-N 2.77Å; W458-C520 HydrophobicContact CH2-CB 3.57Å; W458-C520 HydrophobicContact CZ2-CB 4.25Å; W458-C520 HydrophobicContact CZ3-CB 4.21Å; W458-C520 WeakPolarHBondContact CZ3-O 3.41Å; C520-C552 HydrophobicContact CB-CB 3.82Å; C520-C552 WeakPolarHBondContact CB-SG 3.44Å; C520-C552 WeakPolarHBondContact SG-CA 3.33Å; C520-C552 WeakPolarHBondContact SG-CB 3.16Å; C520-C552 CovalentContact SG-SG 2.03Å; C520-C552 PolarHBondContact SG-SG 3.17Å
521	M	98.1	Very high	85.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.5	167.4	-59.5	-178.3	174.6	0	0	110.7	P375 V376 F378 F399 Q400 F401 L410 F498 F517 I524	P375-M521 CarbonylContact C-O 3.47Å; P375-M521 WeakPolarHBondContact CA-O 3.31Å; V376-M521 PolarHBondContact N-O 2.83Å; V376-M521 PolarHBondContact O-N 3.28Å; F378-M521 HydrophobicContact CD2-CG 4.28Å; F378-M521 HydrophobicContact CE2-CB 3.88Å; F378-M521 HydrophobicContact CE2-CG 3.82Å; F378-M521 HydrophobicContact CE2-SD 3.96Å; F378-M521 HydrophobicContact CZ-SD 4.05Å; F399-M521 HydrophobicContact CD2-SD 4.32Å; F399-M521 HydrophobicContact CE2-CE 4.3Å; Q400-M521 CarbonylContact O-C 3.57Å; Q400-M521 WeakPolarHBondContact O-CA 3.03Å; F401-M521 HydrophobicContact CB-CG 4.07Å; L410-M521 HydrophobicContact CB-CE 4.13Å; L410-M521 HydrophobicContact CD2-CE 3.65Å; F498-M521 HydrophobicContact CB-SD 4.21Å; F498-M521 HydrophobicContact CD1-SD 3.84Å; F517-M521 HydrophobicContact CD1-CE 3.59Å; F517-M521 HydrophobicContact CD1-CG 4.47Å; F517-M521 HydrophobicContact CD2-CE 4.38Å; F517-M521 HydrophobicContact CE1-CE 3.71Å; F517-M521 HydrophobicContact CE1-CG 3.78Å; F517-M521 HydrophobicContact CE1-SD 4.47Å; F517-M521 HydrophobicContact CE2-CE 4.47Å; F517-M521 HydrophobicContact CG-CE 3.94Å; F517-M521 HydrophobicContact CZ-CE 4.15Å; F517-M521 HydrophobicContact CZ-CG 4.25Å; M521-I524 HydrophobicContact CB-CD1 4.29Å
522	Q	96	Very high	88.1	Confident	19 Å²	19	49.4 Å²	49.4	9%	0.089	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	173.1	172.4	69.4	-178.3	-0.5	0	0	111	Q400 W458 I524	Q400-Q522 HydrophobicContact CB-CG 3.87Å; Q400-Q522 PolarHBondContact N-O 2.94Å; Q400-Q522 PolarHBondContact O-N 2.82Å; W458-Q522 HydrophobicContact CE3-CG 4.11Å; W458-Q522 HydrophobicContact CH2-CB 4.12Å; W458-Q522 HydrophobicContact CH2-CG 3.76Å; W458-Q522 HydrophobicContact CZ2-CG 4.28Å; W458-Q522 HydrophobicContact CZ3-CB 4.3Å; W458-Q522 HydrophobicContact CZ3-CG 3.68Å; Q522-I524 PolarHBondContact O-N 3.11Å
523	L	95.2	Very high	90.2	Very high	56 Å²	56	43.7 Å²	43.7	29%	0.293	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.2	37.6	179	-63.6	176.5	0	0	0	113.3	T373 Q400 Q525 L530	T373-L523 HydrophobicContact CG2-CD2 4.01Å; T373-L523 HydrophobicContact CG2-CG 4.28Å; Q400-L523 HydrophobicContact CG-CD1 4.39Å; L523-Q525 PolarHBondContact O-N 3.02Å; L523-L530 HydrophobicContact CD2-CD1 4.42Å
524	I	96.6	Very high	91.7	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	117.5	-179.1	-59.5	175	0	0	0	109.5	L384 F399 F498 M521 Q522 V526 V531	L384-I524 HydrophobicContact CD2-CD1 3.96Å; F399-I524 HydrophobicContact CB-CG1 4.11Å; F498-I524 HydrophobicContact CD1-CD1 4.31Å; F498-I524 HydrophobicContact CD1-CG2 4.38Å; F498-I524 HydrophobicContact CD2-CG2 4.45Å; F498-I524 HydrophobicContact CE1-CG1 4.48Å; F498-I524 HydrophobicContact CE1-CG2 3.7Å; F498-I524 HydrophobicContact CE2-CG2 3.8Å; F498-I524 HydrophobicContact CZ-CG2 3.38Å; M521-I524 HydrophobicContact CB-CD1 4.29Å; Q522-I524 PolarHBondContact O-N 3.11Å; I524-V526 HydrophobicContact CG2-CG2 4.39Å; I524-V531 HydrophobicContact CB-CB 4.49Å; I524-V531 HydrophobicContact CB-CG2 4.49Å; I524-V531 HydrophobicContact CG2-CB 4.38Å; I524-V531 HydrophobicContact CG2-CG2 3.9Å; I524-V531 PolarHBondContact O-N 2.8Å
525	Q	96.4	Very high	92.8	Very high	67 Å²	67	41.8 Å²	41.8	31%	0.313	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.1	174.2	-64.8	179.2	-5.7	0	0	109.8	V397 S398 L523 Q529 L530	V397-Q525 WeakPolarHBondContact CA-O 3.48Å; S398-Q525 PolarHBondContact N-O 3.05Å; S398-Q525 PolarHBondContact O-N 2.69Å; L523-Q525 PolarHBondContact O-N 3.02Å; Q525-Q529 CarbonylContact C-O 3.56Å; Q525-Q529 WeakPolarHBondContact CA-O 3.35Å; Q525-L530 HydrophobicContact CG-CB 4.28Å; Q525-L530 HydrophobicContact CG-CD1 3.88Å
526	V	95.9	Very high	93	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.8	177.3	171	0	0	0	0	107.3	V386 Y496 F498 I524 D528 Q529 V531	V386-V526 HydrophobicContact CG2-CG2 3.92Å; Y496-V526 HydrophobicContact CD1-CG1 3.96Å; Y496-V526 HydrophobicContact CD1-CG2 4.24Å; Y496-V526 HydrophobicContact CD2-CG1 3.37Å; Y496-V526 HydrophobicContact CE1-CG1 3.85Å; Y496-V526 HydrophobicContact CE2-CG1 3.27Å; Y496-V526 HydrophobicContact CG-CG1 3.74Å; Y496-V526 HydrophobicContact CG-CG2 4.14Å; F498-V526 HydrophobicContact CE2-CG2 3.97Å; F498-V526 HydrophobicContact CZ-CG2 3.96Å; I524-V526 HydrophobicContact CG2-CG2 4.39Å; V526-D528 VanDerWaalsContact C-N 3.25Å; V526-D528 PolarHBondContact O-N 3.13Å; V526-Q529 PolarHBondContact N-O 2.94Å; V526-Q529 PolarHBondContact O-N 2.87Å; V526-V531 HydrophobicContact CB-CG2 4.35Å; V526-V531 HydrophobicContact CG2-CG2 4.14Å
527	D	93.4	Very high	92.8	Very high	6 Å²	6	39 Å²	39	3%	0.032	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.6	-178.3	-50.4	-38.4	0	0	0	112.1	R389 S396 T492 Y496 Q529	R389-D527 HydrophobicContact CB-CB 4.48Å; R389-D527 PolarHBondContact N-OD2 3.16Å; S396-D527 PolarHBondContact O-N 3.21Å; T492-D527 WeakPolarHBondContact CG2-OD1 3.22Å; Y496-D527 PolarHBondContact OH-OD1 3.36Å; D527-Q529 VanDerWaalsContact C-N 3.25Å; D527-Q529 PolarHBondContact O-N 3.02Å
528	D	88.7	Confident	92.3	Very high	88 Å²	88	45 Å²	45	47%	0.471	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	27	-176	-63.8	-29.8	0	0	0	115	S396 V526	S396-D528 VanDerWaalsContact CB-OD1 3.24Å; S396-D528 WeakPolarHBondContact CB-OD1 3.34Å; S396-D528 PolarHBondContact OG-OD1 3.48Å; V526-D528 VanDerWaalsContact C-N 3.25Å; V526-D528 PolarHBondContact O-N 3.13Å
529	Q	92.2	Very high	91.4	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.4	178.1	-60.9	-71.7	-78.5	0	0	111.9	Q525 V526 D527 V531	Q525-Q529 CarbonylContact C-O 3.56Å; Q525-Q529 WeakPolarHBondContact CA-O 3.35Å; V526-Q529 PolarHBondContact N-O 2.94Å; V526-Q529 PolarHBondContact O-N 2.87Å; D527-Q529 VanDerWaalsContact C-N 3.25Å; D527-Q529 PolarHBondContact O-N 3.02Å; Q529-V531 PolarHBondContact O-N 2.72Å
530	L	93.7	Very high	90.5	Very high	105 Å²	105	57 Å²	57	55%	0.55	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.1	175.1	-171.2	72.6	0	0	0	110.7	L523 Q525	L523-L530 HydrophobicContact CD2-CD1 4.42Å; Q525-L530 HydrophobicContact CG-CB 4.28Å; Q525-L530 HydrophobicContact CG-CD1 3.88Å
531	V	93.3	Very high	89.7	Confident	27 Å²	27	60.6 Å²	60.6	16%	0.164	30%	0.299	C	S	.	.			trans	-70.4	129.8	178.1	176.9	0	0	0	0	110.2	V386 I524 V526 Q529 L533 V536	V386-V531 HydrophobicContact CB-CG1 4.25Å; V386-V531 HydrophobicContact CB-CG2 4.43Å; V386-V531 HydrophobicContact CG1-CG1 3.95Å; V386-V531 HydrophobicContact CG2-CG2 4.33Å; I524-V531 HydrophobicContact CB-CB 4.49Å; I524-V531 HydrophobicContact CB-CG2 4.49Å; I524-V531 HydrophobicContact CG2-CB 4.38Å; I524-V531 HydrophobicContact CG2-CG2 3.9Å; I524-V531 PolarHBondContact O-N 2.8Å; V526-V531 HydrophobicContact CB-CG2 4.35Å; V526-V531 HydrophobicContact CG2-CG2 4.14Å; Q529-V531 PolarHBondContact O-N 2.72Å; V531-L533 HydrophobicContact CG1-CD2 4.22Å; V531-L533 PolarHBondContact O-N 2.82Å; V531-L533 VanDerWaalsContact O-N 3.11Å; V531-V536 HydrophobicContact CG1-CG2 4.05Å
532	N	91.4	Very high	89	Confident	71 Å²	71	61.8 Å²	61.8	38%	0.38	31%	0.311	S	S	.	.			trans	-80.6	88.7	173.5	-173.1	-5.7	0	0	0	110.8	Y534 E535 V536	N532-Y534 PolarHBondContact O-N 2.89Å; N532-Y534 VanDerWaalsContact O-N 3.15Å; N532-Y534 WeakPolarHBondContact OD1-CB 3.43Å; N532-Y534 PolarHBondContact OD1-N 2.99Å; N532-E535 HydrophobicContact CB-CB 4.27Å; N532-E535 VanDerWaalsContact ND2-CD 3.25Å; N532-E535 PolarHBondContact ND2-OE1 2.61Å; N532-E535 WeakPolarHBondContact O-CB 3.44Å; N532-E535 PolarHBondContact O-N 2.87Å; N532-E535 VanDerWaalsContact O-N 3.1Å; N532-V536 PolarHBondContact O-N 3.46Å
533	L	91	Very high	88.7	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-19.3	-177.6	-69.6	168.8	0	0	0	114.3	V374 V376 L384 V531 V536 A537 I549	V374-L533 HydrophobicContact CB-CB 4.42Å; V374-L533 HydrophobicContact CB-CD1 4.08Å; V374-L533 HydrophobicContact CG1-CB 4.05Å; V374-L533 HydrophobicContact CG1-CD1 4.18Å; V374-L533 VanDerWaalsContact O-CD1 3.23Å; V374-L533 WeakPolarHBondContact O-CD1 3.33Å; V376-L533 HydrophobicContact CG2-CD1 3.55Å; V376-L533 HydrophobicContact CG2-CD2 3.97Å; V376-L533 HydrophobicContact CG2-CG 4.33Å; L384-L533 HydrophobicContact CD2-CD2 3.92Å; V531-L533 HydrophobicContact CG1-CD2 4.22Å; V531-L533 PolarHBondContact O-N 2.82Å; V531-L533 VanDerWaalsContact O-N 3.11Å; L533-V536 PolarHBondContact O-N 2.78Å; L533-A537 WeakPolarHBondContact O-CB 3.49Å; L533-A537 PolarHBondContact O-N 2.82Å; L533-I549 HydrophobicContact CB-CG2 4.21Å
534	Y	86.2	Confident	88.5	Confident	76 Å²	76	61.3 Å²	61.3	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-69.8	-38.5	173.7	-65.6	-77.4	0	0	0	112.2	R122 V374 N532 A537 Q538	R122-Y534 PolarHBondContact NH1-OH 3.12Å; V374-Y534 HydrophobicContact CG2-CD2 4.37Å; V374-Y534 HydrophobicContact CG2-CE2 3.46Å; V374-Y534 VanDerWaalsContact CG2-CE2 3.46Å; V374-Y534 WeakPolarHBondContact CG2-OH 3.38Å; N532-Y534 PolarHBondContact O-N 2.89Å; N532-Y534 VanDerWaalsContact O-N 3.15Å; N532-Y534 WeakPolarHBondContact OD1-CB 3.43Å; N532-Y534 PolarHBondContact OD1-N 2.99Å; Y534-A537 PolarHBondContact O-N 2.79Å; Y534-Q538 WeakPolarHBondContact O-CG 3.48Å; Y534-Q538 PolarHBondContact O-N 2.79Å
535	E	86.7	Confident	88.2	Confident	97 Å²	97	62.3 Å²	62.3	45%	0.453	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-40.4	174.6	-88.3	175.2	-163.3	0	0	110.9	N532 Q538 R539 K540	N532-E535 HydrophobicContact CB-CB 4.27Å; N532-E535 VanDerWaalsContact ND2-CD 3.25Å; N532-E535 PolarHBondContact ND2-OE1 2.61Å; N532-E535 WeakPolarHBondContact O-CB 3.44Å; N532-E535 PolarHBondContact O-N 2.87Å; N532-E535 VanDerWaalsContact O-N 3.1Å; E535-Q538 CarbonylContact O-C 3.56Å; E535-Q538 PolarHBondContact O-N 2.84Å; E535-Q538 VanDerWaalsContact O-N 3.16Å; E535-R539 PolarHBondContact O-N 3.1Å; E535-K540 WeakPolarHBondContact CB-O 3.02Å; E535-K540 PolarHBondContact O-N 2.82Å
536	V	86.3	Confident	87.8	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-41.9	174.5	-175.5	0	0	0	0	111.3	L384 V386 V531 N532 L533 Q538 R539 F544	L384-V536 HydrophobicContact CD1-CG1 3.65Å; V386-V536 HydrophobicContact CG1-CG2 4.5Å; V531-V536 HydrophobicContact CG1-CG2 4.05Å; N532-V536 PolarHBondContact O-N 3.46Å; L533-V536 PolarHBondContact O-N 2.78Å; V536-Q538 PolarHBondContact O-N 2.91Å; V536-R539 WeakPolarHBondContact O-CA 3.01Å; V536-R539 PolarHBondContact O-N 2.81Å; V536-F544 HydrophobicContact CG1-CD1 4.34Å; V536-F544 WeakPolarHBondContact O-CE1 3.42Å
537	A	83.9	Confident	87.6	Confident	45 Å²	45	62.4 Å²	62.4	37%	0.372	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-29.1	175.1	0	0	0	0	0	113	L533 Y534 R539 I549	L533-A537 WeakPolarHBondContact O-CB 3.49Å; L533-A537 PolarHBondContact O-N 2.82Å; Y534-A537 PolarHBondContact O-N 2.79Å; A537-R539 VanDerWaalsContact C-N 3.31Å; A537-I549 HydrophobicContact CB-CB 4.41Å; A537-I549 HydrophobicContact CB-CD1 3.64Å; A537-I549 HydrophobicContact CB-CG2 4.25Å
538	Q	82.7	Confident	87.6	Confident	130 Å²	130	64.3 Å²	64.3	61%	0.607	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	3.8	173.6	-65.2	179	23.6	0	0	113.6	Y534 E535 V536	Y534-Q538 WeakPolarHBondContact O-CG 3.48Å; Y534-Q538 PolarHBondContact O-N 2.79Å; E535-Q538 CarbonylContact O-C 3.56Å; E535-Q538 PolarHBondContact O-N 2.84Å; E535-Q538 VanDerWaalsContact O-N 3.16Å; V536-Q538 PolarHBondContact O-N 2.91Å
539	R	76.8	Confident	87.7	Confident	147 Å²	147	61.5 Å²	61.5	56%	0.555	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	42.6	-175.8	-56.8	-178.4	176.4	168.7	1.5	113.3	E535 V536 A537 F544	E535-R539 PolarHBondContact O-N 3.1Å; V536-R539 WeakPolarHBondContact O-CA 3.01Å; V536-R539 PolarHBondContact O-N 2.81Å; A537-R539 VanDerWaalsContact C-N 3.31Å; R539-F544 HydrophobicContact CG-CE1 4.13Å
540	K	77.7	Confident	87.8	Confident	141 Å²	141	57.4 Å²	57.4	61%	0.613	30%	0.302	S	S	*	.	S	Bend	trans	-144.7	91	-177	-66.9	177.6	-176.4	174	0	114.1	E535	E535-K540 WeakPolarHBondContact CB-O 3.02Å; E535-K540 PolarHBondContact O-N 2.82Å
541	P	82.2	Confident	87.8	Confident	76 Å²	76	53.2 Å²	53.2	49%	0.494	28%	0.28	S	S	.	.	S	Bend	cis	-82.4	175.5	-19.4	1.6	19.1	0	0	0	111.3	P387	P387-P541 HydrophobicContact CB-CB 4.4Å; P387-P541 HydrophobicContact CG-CB 4.11Å; P387-P541 HydrophobicContact CG-CG 4.01Å
542	G	83.5	Confident	87.9	Confident	25 Å²	25	52.9 Å²	52.9	26%	0.258	28%	0.279	S	S	.	.			trans	112.3	165.9	177.8	0	0	0	0	0	113.3	E385	E385-G542 VanDerWaalsContact O-CA 3.23Å; E385-G542 WeakPolarHBondContact O-CA 3.5Å
543	S	88.4	Confident	87.9	Confident	42 Å²	42	49.7 Å²	49.7	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.5	-178.1	-174.7	0	0	0	0	109.1	Y383 E385	Y383-S543 PolarHBondContact OH-OG 2.96Å; E385-S543 WeakPolarHBondContact CA-O 3.03Å; E385-S543 WeakPolarHBondContact CB-O 3.36Å; E385-S543 PolarHBondContact N-O 3.3Å; E385-S543 PolarHBondContact O-N 2.87Å; E385-S543 VanDerWaalsContact O-N 3.15Å; E385-S543 WeakPolarHBondContact OE2-CB 3.06Å
544	F	90.7	Very high	88	Confident	24 Å²	24	49.9 Å²	49.9	11%	0.105	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	156.4	178.3	63.7	-95.6	0	0	0	110.9	Y82 Y383 L384 V536 R539 V547 I549	Y82-F544 AromaticContact CD1-CE2 3.99Å; Y82-F544 HydrophobicContact CD1-CE2 3.99Å; Y82-F544 HydrophobicContact CE1-CD2 4.27Å; Y82-F544 AromaticContact CE1-CE2 3.81Å; Y82-F544 HydrophobicContact CE1-CE2 3.81Å; Y383-F544 VanDerWaalsContact O-CA 3.29Å; Y383-F544 WeakPolarHBondContact O-CA 3.11Å; Y383-F544 WeakPolarHBondContact O-CB 3.38Å; L384-F544 HydrophobicContact CD1-CB 3.91Å; V536-F544 HydrophobicContact CG1-CD1 4.34Å; V536-F544 WeakPolarHBondContact O-CE1 3.42Å; R539-F544 HydrophobicContact CG-CE1 4.13Å; F544-V547 HydrophobicContact CB-CG2 3.58Å; F544-V547 HydrophobicContact CD2-CG2 3.32Å; F544-V547 HydrophobicContact CE2-CG2 4.16Å; F544-V547 HydrophobicContact CG-CG2 3.63Å; F544-I549 HydrophobicContact CD1-CD1 4.42Å; F544-I549 HydrophobicContact CE1-CD1 4.3Å
545	A	90.1	Very high	88.3	Confident	22 Å²	22	47.7 Å²	47.7	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.1	167.8	0	0	0	0	0	110.2	Y82 S382 Y383 V547	Y82-A545 WeakPolarHBondContact OH-CA 3.35Å; S382-A545 VanDerWaalsContact CA-O 3.31Å; S382-A545 WeakPolarHBondContact CA-O 3.37Å; Y383-A545 HydrophobicContact CD1-CB 3.77Å; Y383-A545 HydrophobicContact CE1-CB 3.31Å; Y383-A545 PolarHBondContact N-O 2.79Å; Y383-A545 PolarHBondContact O-N 3.37Å; Y383-A545 VanDerWaalsContact O-N 3.12Å; A545-V547 PolarHBondContact O-N 3.16Å
546	N	89.2	Confident	88.6	Confident	70 Å²	70	43.9 Å²	43.9	37%	0.374	24%	0.239	S	C	.	.	S	Bend	trans	57.1	18.2	170.3	-63.6	-21.7	0	0	0	115.5	Y82 N379 T381 S382	Y82-N546 PolarHBondContact OH-N 3.34Å; N379-N546 PolarHBondContact ND2-O 2.8Å; T381-N546 PolarHBondContact OG1-ND2 3.09Å; S382-N546 VanDerWaalsContact OG-C 3.27Å; S382-N546 PolarHBondContact OG-O 2.71Å
547	V	91.5	Very high	88.9	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.036	25%	0.245	C	C	.	.			trans	-95.8	153.1	172.8	-65.6	0	0	0	0	111	V376 F377 F378 F544 A545 I549	V376-V547 HydrophobicContact CG1-CB 4Å; V376-V547 HydrophobicContact CG1-CG1 4.3Å; F377-V547 VanDerWaalsContact O-CA 3.32Å; F377-V547 WeakPolarHBondContact O-CA 3.44Å; F378-V547 HydrophobicContact CD1-CG1 3.75Å; F378-V547 HydrophobicContact CE1-CG1 3.83Å; F378-V547 HydrophobicContact CG-CG1 4.28Å; F378-V547 HydrophobicContact CZ-CG1 4.42Å; F544-V547 HydrophobicContact CB-CG2 3.58Å; F544-V547 HydrophobicContact CD2-CG2 3.32Å; F544-V547 HydrophobicContact CE2-CG2 4.16Å; F544-V547 HydrophobicContact CG-CG2 3.63Å; A545-V547 PolarHBondContact O-N 3.16Å; V547-I549 HydrophobicContact CG2-CG1 4.44Å
548	S	92.7	Very high	89.3	Confident	47 Å²	47	44.3 Å²	44.3	33%	0.329	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.5	166.7	-60	0	0	0	0	109.5	F377 M551	F377-S548 PolarHBondContact N-O 3.19Å; F377-S548 PolarHBondContact O-N 3.17Å; S548-M551 WeakPolarHBondContact OG-CE 3.48Å
549	I	92.4	Very high	89.5	Confident	28 Å²	28	40.3 Å²	40.3	14%	0.144	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.1	179.1	-62	168.7	0	0	0	109.1	V374 V376 L533 A537 F544 V547	V374-I549 HydrophobicContact CG1-CG2 3.9Å; V376-I549 HydrophobicContact CG1-CG1 4.2Å; V376-I549 HydrophobicContact CG2-CG1 4.37Å; L533-I549 HydrophobicContact CB-CG2 4.21Å; A537-I549 HydrophobicContact CB-CB 4.41Å; A537-I549 HydrophobicContact CB-CD1 3.64Å; A537-I549 HydrophobicContact CB-CG2 4.25Å; F544-I549 HydrophobicContact CD1-CD1 4.42Å; F544-I549 HydrophobicContact CE1-CD1 4.3Å; V547-I549 HydrophobicContact CG2-CG1 4.44Å
550	D	93	Very high	89.9	Confident	14 Å²	14	36.9 Å²	36.9	8%	0.075	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	37	-178.7	-158.9	25.2	0	0	0	113.1	R122 N123 W124 V374 P375	R122-D550 WeakPolarHBondContact CA-OD2 3.17Å; R122-D550 WeakPolarHBondContact CB-OD2 3.33Å; N123-D550 CarbonylContact C-O 3.48Å; N123-D550 WeakPolarHBondContact CA-O 3.23Å; N123-D550 VanDerWaalsContact N-CG 3.28Å; N123-D550 PolarHBondContact N-OD1 2.71Å; N123-D550 PolarHBondContact N-OD2 3.26Å; W124-D550 PolarHBondContact N-O 2.85Å; V374-D550 HydrophobicContact CG1-CB 3.88Å; P375-D550 VanDerWaalsContact O-CA 3.24Å; P375-D550 WeakPolarHBondContact O-CA 3.47Å; P375-D550 PolarHBondContact O-N 2.79Å
551	M	93.9	Very high	90.4	Very high	17 Å²	17	34 Å²	34	8%	0.084	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-154.8	144.4	178.1	177.7	170.4	88.8	0	0	109.8	L116 W124 P375 F377 S548 A553	L116-M551 HydrophobicContact CD1-SD 4.2Å; L116-M551 HydrophobicContact CD2-SD 4.11Å; W124-M551 HydrophobicContact CB-CB 4.44Å; W124-M551 VanDerWaalsContact O-CG 3.31Å; W124-M551 WeakPolarHBondContact O-CG 3.35Å; P375-M551 PolarHBondContact O-N 2.96Å; P375-M551 VanDerWaalsContact O-N 3.1Å; F377-M551 HydrophobicContact CB-CE 4.47Å; F377-M551 WeakPolarHBondContact CB-O 3.34Å; F377-M551 HydrophobicContact CD1-CE 4.01Å; F377-M551 HydrophobicContact CG-CE 4.38Å; F377-M551 PolarHBondContact N-O 3.33Å; S548-M551 WeakPolarHBondContact OG-CE 3.48Å; M551-A553 HydrophobicContact CE-CB 3.97Å; M551-A553 HydrophobicContact CG-CB 4.29Å; M551-A553 HydrophobicContact SD-CB 4.35Å
552	C	95.2	Very high	90.8	Very high	21 Å²	21	33.3 Å²	33.3	14%	0.142	20%	0.196	C	C	.	.			trans	-131.7	100.9	165.2	176.8	0	0	0	0	110.2	P375 R402 C520 I554	P375-C552 HydrophobicContact CB-CB 3.96Å; P375-C552 HydrophobicContact CG-CB 4.33Å; R402-C552 PolarHBondContact NE-SG 3.44Å; R402-C552 PolarHBondContact NH2-SG 2.84Å; C520-C552 HydrophobicContact CB-CB 3.82Å; C520-C552 WeakPolarHBondContact CB-SG 3.44Å; C520-C552 WeakPolarHBondContact SG-CA 3.33Å; C520-C552 WeakPolarHBondContact SG-CB 3.16Å; C520-C552 CovalentContact SG-SG 2.03Å; C520-C552 PolarHBondContact SG-SG 3.17Å; C552-I554 PolarHBondContact O-N 3.44Å
553	A	92	Very high	91.3	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	19%	0.186	C	C	.	.			trans	-100.4	43.8	-174.9	0	0	0	0	0	112.7	P126 I133 F377 M551	P126-A553 HydrophobicContact CG-CB 3.86Å; I133-A553 HydrophobicContact CD1-CB 3.7Å; F377-A553 HydrophobicContact CD2-CB 3.95Å; F377-A553 HydrophobicContact CE1-CB 4.35Å; F377-A553 VanDerWaalsContact CE2-C 3.47Å; F377-A553 HydrophobicContact CE2-CB 3.72Å; F377-A553 VanDerWaalsContact CE2-O 3.29Å; F377-A553 WeakPolarHBondContact CE2-O 3.47Å; F377-A553 HydrophobicContact CG-CB 4.31Å; F377-A553 HydrophobicContact CZ-CB 3.95Å; M551-A553 HydrophobicContact CE-CB 3.97Å; M551-A553 HydrophobicContact CG-CB 4.29Å; M551-A553 HydrophobicContact SD-CB 4.35Å
554	I	93.8	Very high	91.4	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.062	18%	0.183	C	C	.	.			trans	-72.6	141.9	173.3	-171.5	169	0	0	0	110.1	L270 R402 C552 W573	L270-I554 HydrophobicContact CD1-CG2 3.88Å; L270-I554 HydrophobicContact CD2-CG2 3.99Å; L270-I554 HydrophobicContact CG-CG2 4.5Å; R402-I554 HydrophobicContact CG-CD1 4.14Å; C552-I554 PolarHBondContact O-N 3.44Å; I554-W573 HydrophobicContact CB-CH2 4.39Å; I554-W573 HydrophobicContact CB-CZ3 4.38Å; I554-W573 HydrophobicContact CD1-CZ3 4.2Å; I554-W573 HydrophobicContact CG1-CH2 4.41Å; I554-W573 HydrophobicContact CG1-CZ3 3.92Å
555	I	92.2	Very high	91.5	Very high	29 Å²	29	34.1 Å²	34.1	15%	0.149	19%	0.19	C	C	.	.			trans	-125.2	128.6	-177	-56.3	176.5	0	0	0	108.7	I133 W404 R557	I133-I555 HydrophobicContact CD1-CD1 4.16Å; I133-I555 HydrophobicContact CG1-CD1 3.99Å; W404-I555 PolarHBondContact NE1-O 3.47Å; I555-R557 HydrophobicContact CG2-CG 4.15Å
556	D	92.9	Very high	91.5	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.091	21%	0.213	C	C	.	.			trans	-88.2	102.2	168.9	-168.8	-15.8	0	0	0	109.4	S269 L270 W404 C558 V559 Q571	S269-D556 WeakPolarHBondContact CB-OD2 3.26Å; S269-D556 PolarHBondContact OG-OD2 2.71Å; L270-D556 HydrophobicContact CD1-CB 4.04Å; W404-D556 HydrophobicContact CH2-CB 4.41Å; W404-D556 HydrophobicContact CZ2-CB 3.73Å; D556-C558 PolarHBondContact O-N 2.94Å; D556-C558 PolarHBondContact OD1-N 3.32Å; D556-V559 WeakPolarHBondContact OD2-CG2 3.37Å; D556-Q571 PolarHBondContact OD1-NE2 2.93Å; D556-Q571 PolarHBondContact OD1-OE1 3.4Å
557	R	91.6	Very high	91.8	Very high	37 Å²	37	33 Å²	33	14%	0.14	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.2	-179.8	-55.3	-179.1	177.3	-76.9	4	113	N132 I555 Q571 W573 F576	N132-R557 PolarHBondContact OD1-NH1 2.83Å; I555-R557 HydrophobicContact CG2-CG 4.15Å; R557-Q571 VanDerWaalsContact CA-OE1 3.31Å; R557-W573 PolarHBondContact NE-O 2.89Å; R557-W573 PolarHBondContact NH2-O 2.89Å; R557-F576 HydrophobicContact CB-CB 4.23Å; R557-F576 HydrophobicContact CB-CD1 4.31Å
558	C	92.5	Very high	92	Very high	21 Å²	21	39.8 Å²	39.8	14%	0.142	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	5.3	173.8	-74.8	0	0	0	0	113	D556 P560 N561 C569	D556-C558 PolarHBondContact O-N 2.94Å; D556-C558 PolarHBondContact OD1-N 3.32Å; C558-P560 CarbonylContact C-O 3.53Å; C558-P560 VanDerWaalsContact C-O 3.28Å; C558-P560 CarbonylContact O-C 3.57Å; C558-P560 VanDerWaalsContact O-C 3.29Å; C558-N561 WeakPolarHBondContact O-CA 3.33Å; C558-N561 PolarHBondContact O-N 3.13Å; C558-C569 WeakPolarHBondContact CA-SG 3.01Å; C558-C569 HydrophobicContact CB-CB 3.74Å; C558-C569 WeakPolarHBondContact CB-SG 3.37Å; C558-C569 WeakPolarHBondContact SG-CB 3.34Å; C558-C569 CovalentContact SG-SG 2.04Å; C558-C569 PolarHBondContact SG-SG 3Å
559	V	87.5	Confident	92.1	Very high	47 Å²	47	39.2 Å²	39.2	29%	0.285	22%	0.221	S	C	.	.	S	Bend	trans	-129.2	113.3	177.9	-178.8	0	0	0	0	110.9	D556	D556-V559 WeakPolarHBondContact OD2-CG2 3.37Å
560	P	84.9	Confident	92.2	Very high	74 Å²	74	40.7 Å²	40.7	48%	0.481	23%	0.233	S	C	.	.	S	Bend	cis	-64.4	159.9	-4.2	31	-35.9	0	0	0	111.9	C558 H562	C558-P560 CarbonylContact C-O 3.53Å; C558-P560 VanDerWaalsContact C-O 3.28Å; C558-P560 CarbonylContact O-C 3.57Å; C558-P560 VanDerWaalsContact O-C 3.29Å; P560-H562 PolarHBondContact O-N 2.95Å; P560-H562 VanDerWaalsContact O-N 3.11Å
561	N	88.7	Confident	92.3	Very high	82 Å²	82	41.4 Å²	41.4	44%	0.439	24%	0.236	S	C	.	.			trans	-70.3	110	177.9	-175.4	7.9	0	0	0	109.6	C558 C563 G567 C569	C558-N561 WeakPolarHBondContact O-CA 3.33Å; C558-N561 PolarHBondContact O-N 3.13Å; N561-C563 PolarHBondContact O-N 3.26Å; N561-C563 WeakPolarHBondContact OD1-CB 3.43Å; N561-C563 PolarHBondContact OD1-N 3.15Å; N561-C563 PolarHBondContact OD1-SG 3.34Å; N561-G567 PolarHBondContact ND2-O 3.15Å; N561-C569 WeakPolarHBondContact OD1-CB 3.14Å
562	H	89.9	Confident	92.1	Very high	61 Å²	61	43.1 Å²	43.1	28%	0.282	25%	0.248	S	C	.	.			trans	-77.9	-3.4	175.4	-62.6	-62.7	0	0	0	113.5	P560 F576 T589 V891	P560-H562 PolarHBondContact O-N 2.95Å; P560-H562 VanDerWaalsContact O-N 3.11Å; H562-F576 HydrophobicContact CB-CE1 4.12Å; H562-F576 HydrophobicContact CB-CE2 3.79Å; H562-F576 HydrophobicContact CB-CZ 3.44Å; H562-F576 VanDerWaalsContact CB-CZ 3.44Å; H562-F576 AromaticContact CD2-CE1 3.74Å; H562-F576 AromaticContact CD2-CZ 4Å; H562-F576 AromaticContact CG-CZ 3.98Å; H562-T589 WeakPolarHBondContact O-CB 3.16Å; H562-V891 HydrophobicContact CB-CG2 4.17Å
563	C	93.8	Very high	91.8	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.041	25%	0.247	C	C	.	.			trans	-87.2	111.3	174.2	-51	0	0	0	0	109.6	N561 G567 C578	N561-C563 PolarHBondContact O-N 3.26Å; N561-C563 WeakPolarHBondContact OD1-CB 3.43Å; N561-C563 PolarHBondContact OD1-N 3.15Å; N561-C563 PolarHBondContact OD1-SG 3.34Å; C563-G567 WeakPolarHBondContact CB-O 3.48Å; C563-C578 WeakPolarHBondContact CA-SG 3.49Å; C563-C578 HydrophobicContact CB-CB 3.66Å; C563-C578 WeakPolarHBondContact CB-SG 3.36Å; C563-C578 WeakPolarHBondContact SG-CA 3.38Å; C563-C578 WeakPolarHBondContact SG-CB 3.46Å; C563-C578 CovalentContact SG-SG 2.03Å; C563-C578 PolarHBondContact SG-SG 3.31Å
564	E	91.6	Very high	91.5	Very high	51 Å²	51	48 Å²	48	24%	0.238	27%	0.269	C	S	.	.			trans	-79.6	169.4	-172.3	-58.2	176.4	-127.2	0	0	111.6	G566 G567 T589 C590 H591	E564-G566 PolarHBondContact O-N 3.35Å; E564-G567 PolarHBondContact O-N 3.12Å; E564-T589 WeakPolarHBondContact CB-O 3.37Å; E564-T589 PolarHBondContact N-O 2.9Å; E564-T589 PolarHBondContact OE1-OG1 3Å; E564-C590 WeakPolarHBondContact O-CB 3.3Å; E564-H591 VanDerWaalsContact CD-ND1 3.25Å; E564-H591 IonicContact OE1-CG 3.97Å; E564-H591 IonicContact OE1-ND1 3.49Å; E564-H591 PolarHBondContact OE1-ND1 2.85Å; E564-H591 IonicContact OE2-CE1 2.74Å; E564-H591 PolarHBondContact OE2-CE1 3.15Å; E564-H591 IonicContact OE2-CG 3.98Å; E564-H591 IonicContact OE2-ND1 3.87Å; E564-H591 PolarHBondContact OE2-ND1 2.89Å
565	H	91.2	Very high	91.3	Very high	51 Å²	51	49.4 Å²	49.4	24%	0.236	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	35.9	175.7	-47.4	102.9	0	0	0	114.8	Y585 C590 G620	H565-Y585 HydrophobicContact CB-CD1 4.23Å; H565-Y585 HydrophobicContact CB-CD2 3.32Å; H565-Y585 HydrophobicContact CB-CE1 4.35Å; H565-Y585 HydrophobicContact CB-CE2 3.48Å; H565-Y585 VanDerWaalsContact CB-CE2 3.48Å; H565-Y585 HydrophobicContact CB-CG 3.75Å; H565-Y585 AromaticContact CD2-CE1 3.7Å; H565-Y585 AromaticContact CD2-CE2 3.99Å; H565-Y585 AromaticContact CD2-CZ 3.59Å; H565-Y585 AromaticContact CE1-CD1 3.83Å; H565-Y585 AromaticContact CE1-CE1 3.8Å; H565-Y585 AromaticContact CG-CD1 3.7Å; H565-Y585 AromaticContact CG-CD2 3.71Å; H565-Y585 AromaticContact CG-CE1 3.66Å; H565-Y585 AromaticContact CG-CE2 3.68Å; H565-Y585 AromaticContact CG-CG 3.74Å; H565-Y585 AromaticContact CG-CZ 3.65Å; H565-Y585 AromaticContact ND1-CD1 3.44Å; H565-Y585 WeakPolarHBondContact ND1-CD1 3.39Å; H565-Y585 AromaticContact ND1-CE1 3.72Å; H565-Y585 AromaticContact ND1-CG 3.7Å; H565-Y585 AromaticContact NE2-CE1 3.83Å; H565-C590 PolarHBondContact ND1-O 3.5Å; H565-G620 PolarHBondContact NE2-O 2.8Å; H565-G620 VanDerWaalsContact NE2-O 3.1Å
566	G	90.7	Very high	91.4	Very high	65 Å²	65	49 Å²	49	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.4	180	0	0	0	0	0	114.8	E564	E564-G566 PolarHBondContact O-N 3.35Å
567	G	94.8	Very high	91.5	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.021	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-56.7	141.4	176	0	0	0	0	0	113	N561 C563 E564	N561-G567 PolarHBondContact ND2-O 3.15Å; C563-G567 WeakPolarHBondContact CB-O 3.48Å; E564-G567 PolarHBondContact O-N 3.12Å
568	K	95.7	Very high	91.7	Very high	150 Å²	150	53.7 Å²	53.7	65%	0.652	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.1	-179.7	-65.5	174.2	-174.9	164.4	0	110.1	C578 T579	K568-C578 WeakPolarHBondContact O-CA 3.09Å; K568-T579 PolarHBondContact N-O 3.45Å; K568-T579 PolarHBondContact O-N 3.36Å
569	C	95.5	Very high	91.9	Very high	35 Å²	35	55.1 Å²	55.1	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.3	176.3	-169.1	0	0	0	0	111.6	C558 N561 K577	C558-C569 WeakPolarHBondContact CA-SG 3.01Å; C558-C569 HydrophobicContact CB-CB 3.74Å; C558-C569 WeakPolarHBondContact CB-SG 3.37Å; C558-C569 WeakPolarHBondContact SG-CB 3.34Å; C558-C569 CovalentContact SG-SG 2.04Å; C558-C569 PolarHBondContact SG-SG 3Å; N561-C569 WeakPolarHBondContact OD1-CB 3.14Å; C569-K577 WeakPolarHBondContact CA-O 3.36Å
570	S	94.9	Very high	92.3	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.7	163.6	54.1	0	0	0	0	109.2	F576 K577	S570-F576 CarbonylContact O-C 3.57Å; S570-F576 VanDerWaalsContact O-CA 3.25Å; S570-F576 WeakPolarHBondContact O-CA 3.23Å; S570-F576 WeakPolarHBondContact O-CB 3.5Å; S570-K577 PolarHBondContact N-O 2.91Å; S570-K577 PolarHBondContact O-N 3.01Å; S570-K577 PolarHBondContact OG-O 2.55Å
571	Q	94.1	Very high	92.7	Very high	29 Å²	29	56.4 Å²	56.4	14%	0.136	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.2	-175.6	66.5	-171.8	-21.9	0	0	114.4	W404 D556 R557 S575 F576	W404-Q571 HydrophobicContact CB-CG 4.3Å; W404-Q571 HydrophobicContact CD2-CG 3.99Å; W404-Q571 VanDerWaalsContact CD2-NE2 3.3Å; W404-Q571 VanDerWaalsContact CE2-NE2 3.31Å; W404-Q571 HydrophobicContact CE3-CG 3.94Å; W404-Q571 HydrophobicContact CG-CG 4.15Å; W404-Q571 VanDerWaalsContact CZ2-NE2 3.32Å; D556-Q571 PolarHBondContact OD1-NE2 2.93Å; D556-Q571 PolarHBondContact OD1-OE1 3.4Å; R557-Q571 VanDerWaalsContact CA-OE1 3.31Å; Q571-S575 WeakPolarHBondContact CA-O 3.47Å; Q571-F576 HydrophobicContact CB-CB 4.15Å
572	T	89.8	Confident	92.7	Very high	53 Å²	53	62 Å²	62	33%	0.325	33%	0.334	S	S	.	.			trans	-116	179	164.2	60.1	0	0	0	0	108.4	D574 S575	T572-D574 VanDerWaalsContact C-N 3.3Å; T572-D574 WeakPolarHBondContact CB-OD1 3.46Å; T572-D574 PolarHBondContact O-N 3.07Å; T572-D574 PolarHBondContact OG1-OD1 2.03Å; T572-S575 PolarHBondContact N-O 2.91Å; T572-S575 PolarHBondContact OG1-N 3.22Å; T572-S575 PolarHBondContact OG1-O 3.03Å; T572-S575 VanDerWaalsContact OG1-O 3.06Å
573	W	89.1	Confident	92.8	Very high	35 Å²	35	60.5 Å²	60.5	13%	0.133	33%	0.329	C	S	.	.	S	Bend	trans	-56.1	-42.2	177.3	-168	-95.2	0	0	0	114.3	F377 N405 Q518 G519 I554 R557	F377-W573 HydrophobicContact CD2-CH2 4.17Å; F377-W573 HydrophobicContact CD2-CZ2 4.16Å; F377-W573 AromaticContact CE2-CH2 3.54Å; F377-W573 HydrophobicContact CE2-CH2 3.54Å; F377-W573 AromaticContact CE2-CZ2 3.23Å; F377-W573 HydrophobicContact CE2-CZ2 3.23Å; F377-W573 HydrophobicContact CZ-CH2 4.35Å; F377-W573 AromaticContact CZ-CZ2 3.58Å; F377-W573 HydrophobicContact CZ-CZ2 3.58Å; N405-W573 WeakPolarHBondContact OD1-CB 3.37Å; N405-W573 PolarHBondContact OD1-N 3.47Å; Q518-W573 HydrophobicContact CB-CB 4.4Å; Q518-W573 HydrophobicContact CB-CD2 3.67Å; Q518-W573 HydrophobicContact CB-CE3 4.03Å; Q518-W573 HydrophobicContact CB-CG 3.87Å; Q518-W573 HydrophobicContact CB-CZ2 4.33Å; G519-W573 VanDerWaalsContact N-CH2 3.3Å; I554-W573 HydrophobicContact CB-CH2 4.39Å; I554-W573 HydrophobicContact CB-CZ3 4.38Å; I554-W573 HydrophobicContact CD1-CZ3 4.2Å; I554-W573 HydrophobicContact CG1-CH2 4.41Å; I554-W573 HydrophobicContact CG1-CZ3 3.92Å; R557-W573 PolarHBondContact NE-O 2.89Å; R557-W573 PolarHBondContact NH2-O 2.89Å
574	D	85.8	Confident	92.8	Very high	93 Å²	93	60.8 Å²	60.8	50%	0.497	33%	0.333	S	S	.	.	S	Bend	trans	-94.4	-19.7	-172.1	64	-42.3	0	0	0	113.5	T572	T572-D574 VanDerWaalsContact C-N 3.3Å; T572-D574 WeakPolarHBondContact CB-OD1 3.46Å; T572-D574 PolarHBondContact O-N 3.07Å; T572-D574 PolarHBondContact OG1-OD1 2.03Å
575	S	90.6	Very high	93	Very high	41 Å²	41	58.9 Å²	58.9	29%	0.287	32%	0.324	S	S	.	.			trans	-158.8	152.8	-166.3	-171.8	0	0	0	0	112.9	Q571 T572 K892	Q571-S575 WeakPolarHBondContact CA-O 3.47Å; T572-S575 PolarHBondContact N-O 2.91Å; T572-S575 PolarHBondContact OG1-N 3.22Å; T572-S575 PolarHBondContact OG1-O 3.03Å; T572-S575 VanDerWaalsContact OG1-O 3.06Å; S575-K892 PolarHBondContact OG-NZ 2.63Å
576	F	93.3	Very high	93.1	Very high	20 Å²	20	58.8 Å²	58.8	9%	0.088	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	166.3	164.3	74.1	-93.2	0	0	0	113.2	R557 H562 S570 Q571 V891 K892	R557-F576 HydrophobicContact CB-CB 4.23Å; R557-F576 HydrophobicContact CB-CD1 4.31Å; H562-F576 HydrophobicContact CB-CE1 4.12Å; H562-F576 HydrophobicContact CB-CE2 3.79Å; H562-F576 HydrophobicContact CB-CZ 3.44Å; H562-F576 VanDerWaalsContact CB-CZ 3.44Å; H562-F576 AromaticContact CD2-CE1 3.74Å; H562-F576 AromaticContact CD2-CZ 4Å; H562-F576 AromaticContact CG-CZ 3.98Å; S570-F576 CarbonylContact O-C 3.57Å; S570-F576 VanDerWaalsContact O-CA 3.25Å; S570-F576 WeakPolarHBondContact O-CA 3.23Å; S570-F576 WeakPolarHBondContact O-CB 3.5Å; Q571-F576 HydrophobicContact CB-CB 4.15Å; F576-V891 HydrophobicContact CE1-CG2 3.96Å; F576-V891 HydrophobicContact CZ-CG2 3.61Å; F576-K892 VanDerWaalsContact CD1-CE 3.47Å; F576-K892 HydrophobicContact CE1-CD 4.13Å; F576-K892 HydrophobicContact CE1-CG 4.29Å; F576-K892 HydrophobicContact CE2-CD 4.45Å; F576-K892 VanDerWaalsContact CE2-CE 3.5Å; F576-K892 HydrophobicContact CE2-CG 4.14Å; F576-K892 HydrophobicContact CZ-CD 4.05Å; F576-K892 HydrophobicContact CZ-CG 3.75Å; F576-K892 WeakPolarHBondContact O-CE 3.32Å; F576-K892 PolarHBondContact O-NZ 3.48Å
577	K	95	Very high	93.1	Very high	140 Å²	140	57.4 Å²	57.4	61%	0.609	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	139.6	173.4	-178.1	-179.3	177.3	-174.2	0	109.9	C569 S570	C569-K577 WeakPolarHBondContact CA-O 3.36Å; S570-K577 PolarHBondContact N-O 2.91Å; S570-K577 PolarHBondContact O-N 3.01Å; S570-K577 PolarHBondContact OG-O 2.55Å
578	C	96.7	Very high	93	Very high	14 Å²	14	58.8 Å²	58.8	10%	0.095	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.7	172.8	-60.1	0	0	0	0	111.4	C563 K568 A588	C563-C578 WeakPolarHBondContact CA-SG 3.49Å; C563-C578 HydrophobicContact CB-CB 3.66Å; C563-C578 WeakPolarHBondContact CB-SG 3.36Å; C563-C578 WeakPolarHBondContact SG-CA 3.38Å; C563-C578 WeakPolarHBondContact SG-CB 3.46Å; C563-C578 CovalentContact SG-SG 2.03Å; C563-C578 PolarHBondContact SG-SG 3.31Å; K568-C578 WeakPolarHBondContact O-CA 3.09Å; C578-A588 WeakPolarHBondContact CB-O 3.21Å; C578-A588 PolarHBondContact SG-O 2.81Å
579	T	97.3	Very high	92.9	Very high	51 Å²	51	51.7 Å²	51.7	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.9	167.9	-59	0	0	0	0	108.3	K568 D581	K568-T579 PolarHBondContact N-O 3.45Å; K568-T579 PolarHBondContact O-N 3.36Å; T579-D581 HydrophobicContact CG2-CB 4.23Å; T579-D581 WeakPolarHBondContact CG2-OD2 3.41Å
580	C	95.5	Very high	92.8	Very high	20 Å²	20	50 Å²	50	14%	0.135	28%	0.284	C	S	.	.			trans	-104.3	7.7	-173.5	-43.6	0	0	0	0	113.4	E582 T583 Y585 C590	C580-E582 PolarHBondContact O-N 2.84Å; C580-T583 WeakPolarHBondContact O-CB 3.4Å; C580-T583 WeakPolarHBondContact O-CG2 3.17Å; C580-T583 PolarHBondContact O-N 2.73Å; C580-T583 PolarHBondContact O-OG1 3.49Å; C580-Y585 WeakPolarHBondContact CB-O 3.09Å; C580-C590 WeakPolarHBondContact CA-SG 3.5Å; C580-C590 HydrophobicContact CB-CB 3.74Å; C580-C590 WeakPolarHBondContact CB-SG 3.28Å; C580-C590 WeakPolarHBondContact SG-CA 3.44Å; C580-C590 WeakPolarHBondContact SG-CB 2.98Å; C580-C590 CovalentContact SG-SG 2.03Å; C580-C590 PolarHBondContact SG-SG 3.22Å
581	D	92.9	Very high	92.6	Very high	128 Å²	128	47.5 Å²	47.5	68%	0.684	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137.2	-179.2	-57	-30.5	0	0	0	110.9	T579 T583	T579-D581 HydrophobicContact CG2-CB 4.23Å; T579-D581 WeakPolarHBondContact CG2-OD2 3.41Å; D581-T583 PolarHBondContact O-N 3.16Å; D581-T583 VanDerWaalsContact O-N 3.11Å
582	E	88.7	Confident	92.4	Very high	199 Å²	199	47.7 Å²	47.7	93%	0.93	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	8.6	179.3	-53.1	176.1	169.8	0	0	115.4	C580	C580-E582 PolarHBondContact O-N 2.84Å
583	T	92.5	Very high	92.6	Very high	29 Å²	29	46.6 Å²	46.6	18%	0.178	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-27.2	176.4	66.1	0	0	0	0	113.1	C580 D581 Y585	C580-T583 WeakPolarHBondContact O-CB 3.4Å; C580-T583 WeakPolarHBondContact O-CG2 3.17Å; C580-T583 PolarHBondContact O-N 2.73Å; C580-T583 PolarHBondContact O-OG1 3.49Å; D581-T583 PolarHBondContact O-N 3.16Å; D581-T583 VanDerWaalsContact O-N 3.11Å; T583-Y585 VanDerWaalsContact C-N 3.33Å; T583-Y585 WeakPolarHBondContact O-CD2 3.44Å; T583-Y585 WeakPolarHBondContact O-CE2 3.18Å; T583-Y585 PolarHBondContact OG1-N 3.26Å; T583-Y585 VanDerWaalsContact OG1-N 3.07Å
584	G	93.1	Very high	92.7	Very high	12 Å²	12	49.5 Å²	49.5	12%	0.124	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	5.5	-166.9	0	0	0	0	0	113.8	I594	G584-I594 VanDerWaalsContact O-CG1 3.31Å; G584-I594 WeakPolarHBondContact O-CG1 3.18Å; G584-I594 PolarHBondContact O-N 2.94Å; G584-I594 VanDerWaalsContact O-N 3.11Å
585	Y	95.4	Very high	93.2	Very high	12 Å²	12	48.1 Å²	48.1	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	164.6	-177.8	-59.9	-96.1	0	0	0	112.1	H565 C580 T583 C590 N592 D615 G618 L622	H565-Y585 HydrophobicContact CB-CD1 4.23Å; H565-Y585 HydrophobicContact CB-CD2 3.32Å; H565-Y585 HydrophobicContact CB-CE1 4.35Å; H565-Y585 HydrophobicContact CB-CE2 3.48Å; H565-Y585 VanDerWaalsContact CB-CE2 3.48Å; H565-Y585 HydrophobicContact CB-CG 3.75Å; H565-Y585 AromaticContact CD2-CE1 3.7Å; H565-Y585 AromaticContact CD2-CE2 3.99Å; H565-Y585 AromaticContact CD2-CZ 3.59Å; H565-Y585 AromaticContact CE1-CD1 3.83Å; H565-Y585 AromaticContact CE1-CE1 3.8Å; H565-Y585 AromaticContact CG-CD1 3.7Å; H565-Y585 AromaticContact CG-CD2 3.71Å; H565-Y585 AromaticContact CG-CE1 3.66Å; H565-Y585 AromaticContact CG-CE2 3.68Å; H565-Y585 AromaticContact CG-CG 3.74Å; H565-Y585 AromaticContact CG-CZ 3.65Å; H565-Y585 AromaticContact ND1-CD1 3.44Å; H565-Y585 WeakPolarHBondContact ND1-CD1 3.39Å; H565-Y585 AromaticContact ND1-CE1 3.72Å; H565-Y585 AromaticContact ND1-CG 3.7Å; H565-Y585 AromaticContact NE2-CE1 3.83Å; C580-Y585 WeakPolarHBondContact CB-O 3.09Å; T583-Y585 VanDerWaalsContact C-N 3.33Å; T583-Y585 WeakPolarHBondContact O-CD2 3.44Å; T583-Y585 WeakPolarHBondContact O-CE2 3.18Å; T583-Y585 PolarHBondContact OG1-N 3.26Å; T583-Y585 VanDerWaalsContact OG1-N 3.07Å; Y585-C590 WeakPolarHBondContact CB-O 3.43Å; Y585-N592 CarbonylContact C-O 3.58Å; Y585-N592 WeakPolarHBondContact CA-O 3.38Å; Y585-D615 WeakPolarHBondContact CE1-OD2 3.48Å; Y585-D615 PolarHBondContact OH-OD2 2.72Å; Y585-G618 WeakPolarHBondContact CE1-O 3.4Å; Y585-L622 PolarHBondContact OH-O 3.23Å
586	S	93.4	Very high	93.3	Very high	48 Å²	48	48 Å²	48	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	178.8	-175.7	69.1	0	0	0	0	111.7	C590 H591 N592	S586-C590 CarbonylContact O-C 3.58Å; S586-C590 WeakPolarHBondContact O-CA 3.45Å; S586-H591 PolarHBondContact O-N 3.21Å; S586-H591 VanDerWaalsContact O-N 3.14Å; S586-N592 PolarHBondContact N-O 2.73Å; S586-N592 PolarHBondContact O-N 3.04Å; S586-N592 PolarHBondContact OG-O 2.03Å
587	G	91	Very high	93.3	Very high	37 Å²	37	48.6 Å²	48.6	38%	0.381	27%	0.268	S	S	.	.	S	Bend	trans	93.9	175.6	-176.7	0	0	0	0	0	113.3	T589 C590	G587-T589 PolarHBondContact O-N 2.85Å; G587-C590 PolarHBondContact O-N 3.39Å
588	A	93	Very high	93.3	Very high	30 Å²	30	42.4 Å²	42.4	25%	0.248	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.6	-172.2	0	0	0	0	0	113.8	C578 K892 Q893	C578-A588 WeakPolarHBondContact CB-O 3.21Å; C578-A588 PolarHBondContact SG-O 2.81Å; A588-K892 HydrophobicContact CB-CB 3.99Å; A588-K892 HydrophobicContact CB-CG 4.45Å; A588-Q893 HydrophobicContact CB-CG 4.09Å
589	T	93.7	Very high	93.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	14.3	178.5	54.5	0	0	0	0	113	H562 E564 G587 H591 N890 V891 K892	H562-T589 WeakPolarHBondContact O-CB 3.16Å; E564-T589 WeakPolarHBondContact CB-O 3.37Å; E564-T589 PolarHBondContact N-O 2.9Å; E564-T589 PolarHBondContact OE1-OG1 3Å; G587-T589 PolarHBondContact O-N 2.85Å; T589-H591 PolarHBondContact O-N 3.22Å; T589-N890 HydrophobicContact CG2-CB 4.09Å; T589-V891 HydrophobicContact CG2-CG2 4.43Å; T589-K892 HydrophobicContact CG2-CG 4.39Å
590	C	94	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	57.8	35	-174.3	-45.9	0	0	0	0	113.3	E564 H565 C580 Y585 S586 G587	E564-C590 WeakPolarHBondContact O-CB 3.3Å; H565-C590 PolarHBondContact ND1-O 3.5Å; C580-C590 WeakPolarHBondContact CA-SG 3.5Å; C580-C590 HydrophobicContact CB-CB 3.74Å; C580-C590 WeakPolarHBondContact CB-SG 3.28Å; C580-C590 WeakPolarHBondContact SG-CA 3.44Å; C580-C590 WeakPolarHBondContact SG-CB 2.98Å; C580-C590 CovalentContact SG-SG 2.03Å; C580-C590 PolarHBondContact SG-SG 3.22Å; Y585-C590 WeakPolarHBondContact CB-O 3.43Å; S586-C590 CarbonylContact O-C 3.58Å; S586-C590 WeakPolarHBondContact O-CA 3.45Å; G587-C590 PolarHBondContact O-N 3.39Å
591	H	90.5	Very high	92.7	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.023	22%	0.221	C	C	.	.			trans	-83.4	-37.2	-176.6	-169.5	73.5	0	0	0	112.9	E564 S586 T589 S619 D822	E564-H591 VanDerWaalsContact CD-ND1 3.25Å; E564-H591 IonicContact OE1-CG 3.97Å; E564-H591 IonicContact OE1-ND1 3.49Å; E564-H591 PolarHBondContact OE1-ND1 2.85Å; E564-H591 IonicContact OE2-CE1 2.74Å; E564-H591 PolarHBondContact OE2-CE1 3.15Å; E564-H591 IonicContact OE2-CG 3.98Å; E564-H591 IonicContact OE2-ND1 3.87Å; E564-H591 PolarHBondContact OE2-ND1 2.89Å; S586-H591 PolarHBondContact O-N 3.21Å; S586-H591 VanDerWaalsContact O-N 3.14Å; T589-H591 PolarHBondContact O-N 3.22Å; H591-S619 PolarHBondContact CD2-OG 3.24Å; H591-S619 VanDerWaalsContact CD2-OG 3.28Å; H591-S619 WeakPolarHBondContact CE1-CB 3.46Å; H591-S619 WeakPolarHBondContact NE2-CB 3.34Å; H591-S619 PolarHBondContact NE2-OG 3.38Å; H591-S619 WeakPolarHBondContact O-CB 3.24Å; H591-S619 PolarHBondContact O-OG 2.84Å; H591-D822 WeakPolarHBondContact NE2-CB 3.4Å; H591-D822 IonicContact NE2-OD2 3.34Å
592	N	89.8	Confident	92.6	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.182	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.4	-167.2	-61.3	-35.2	0	0	0	111.1	Y585 S586 E888	Y585-N592 CarbonylContact C-O 3.58Å; Y585-N592 WeakPolarHBondContact CA-O 3.38Å; S586-N592 PolarHBondContact N-O 2.73Å; S586-N592 PolarHBondContact O-N 3.04Å; S586-N592 PolarHBondContact OG-O 2.03Å; N592-E888 PolarHBondContact ND2-OE2 2.83Å
593	S	92.6	Very high	92.6	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.4	172.9	-168.8	0	0	0	0	111.1	Y595 D615	S593-Y595 VanDerWaalsContact C-N 3.28Å; S593-Y595 PolarHBondContact OG-N 3.02Å; S593-D615 WeakPolarHBondContact CB-OD2 3.44Å; S593-D615 VanDerWaalsContact OG-CB 3.32Å; S593-D615 WeakPolarHBondContact OG-CB 3.42Å; S593-D615 PolarHBondContact OG-OD2 3.2Å
594	I	93	Very high	92.2	Very high	97 Å²	97	24.5 Å²	24.5	50%	0.497	15%	0.145	S	C	.	.	S	Bend	trans	-87	-3.5	172.3	75	-170.1	0	0	0	112.2	G584	G584-I594 VanDerWaalsContact O-CG1 3.31Å; G584-I594 WeakPolarHBondContact O-CG1 3.18Å; G584-I594 PolarHBondContact O-N 2.94Å; G584-I594 VanDerWaalsContact O-N 3.11Å
595	Y	95.1	Very high	91.7	Very high	64 Å²	64	27.1 Å²	27.1	25%	0.251	16%	0.156	S	C	.	.	S	Bend	trans	-107.5	153.9	-177.4	-57.9	-59.6	0	0	0	111.1	S593 W613 P624	S593-Y595 VanDerWaalsContact C-N 3.28Å; S593-Y595 PolarHBondContact OG-N 3.02Å; Y595-W613 HydrophobicContact CD1-CB 3.43Å; Y595-W613 VanDerWaalsContact CD1-CB 3.43Å; Y595-W613 HydrophobicContact CD1-CG 4.37Å; Y595-W613 HydrophobicContact CD2-CB 4.09Å; Y595-W613 HydrophobicContact CE1-CB 3.51Å; Y595-W613 AromaticContact CE1-CG 3.96Å; Y595-W613 HydrophobicContact CE1-CG 3.96Å; Y595-W613 HydrophobicContact CE2-CB 4.13Å; Y595-W613 HydrophobicContact CE2-CG 4.48Å; Y595-W613 HydrophobicContact CG-CB 3.74Å; Y595-P624 HydrophobicContact CD2-CB 3.48Å; Y595-P624 VanDerWaalsContact CD2-CB 3.48Å; Y595-P624 HydrophobicContact CD2-CG 3.81Å; Y595-P624 HydrophobicContact CE2-CB 3.87Å; Y595-P624 HydrophobicContact CE2-CG 3.76Å; Y595-P624 HydrophobicContact CG-CB 4.42Å
596	E	93.9	Very high	91.1	Very high	38 Å²	38	27.9 Å²	27.9	18%	0.178	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-82	154.8	176.6	-66.6	-64.5	154.5	0	0	110.7	S598 A601 Y602 L605 I614 D615 R884	E596-S598 VanDerWaalsContact C-N 3.28Å; E596-S598 PolarHBondContact O-N 3.34Å; E596-A601 HydrophobicContact CB-CB 4.04Å; E596-Y602 HydrophobicContact CB-CD1 4.18Å; E596-Y602 HydrophobicContact CB-CD2 3.97Å; E596-Y602 HydrophobicContact CB-CE1 3.92Å; E596-Y602 HydrophobicContact CB-CE2 3.69Å; E596-Y602 HydrophobicContact CB-CG 4.21Å; E596-Y602 HydrophobicContact CG-CD1 3.91Å; E596-Y602 HydrophobicContact CG-CE1 3.59Å; E596-Y602 HydrophobicContact CG-CE2 4.32Å; E596-Y602 HydrophobicContact CG-CG 4.4Å; E596-Y602 PolarHBondContact N-OH 3.05Å; E596-L605 HydrophobicContact CG-CD1 3.64Å; E596-I614 CarbonylContact O-C 3.51Å; E596-I614 WeakPolarHBondContact O-CA 3.25Å; E596-D615 PolarHBondContact O-N 2.93Å; E596-R884 IonicContact OE1-NH1 3.41Å
597	P	93.4	Very high	90.7	Very high	32 Å²	32	29.5 Å²	29.5	21%	0.208	17%	0.17	C	C	.	.	S	Bend	trans	-71.1	-21.9	-171.2	26.5	-35.1	0	0	0	114.5	A601 D615 P616	P597-A601 HydrophobicContact CG-CB 3.99Å; P597-D615 WeakPolarHBondContact CA-O 3.29Å; P597-P616 VanDerWaalsContact O-CA 3.28Å; P597-P616 WeakPolarHBondContact O-CA 3.48Å
598	S	94.7	Very high	90.3	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.07	17%	0.171	C	C	.	.			trans	-158.6	168	-177.1	69.5	0	0	0	0	112.9	E596 E600 A601 Y602 D794	E596-S598 VanDerWaalsContact C-N 3.28Å; E596-S598 PolarHBondContact O-N 3.34Å; S598-E600 PolarHBondContact O-N 2.84Å; S598-E600 WeakPolarHBondContact OG-CB 3.5Å; S598-E600 PolarHBondContact OG-N 2.86Å; S598-A601 PolarHBondContact O-N 3.39Å; S598-A601 PolarHBondContact OG-N 3.27Å; S598-A601 VanDerWaalsContact OG-N 3.15Å; S598-Y602 WeakPolarHBondContact O-CD2 3.39Å; S598-Y602 PolarHBondContact O-N 2.72Å; S598-D794 WeakPolarHBondContact CB-OD2 3.31Å; S598-D794 PolarHBondContact OG-OD2 2.82Å
599	C	94.7	Very high	90.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-30.5	169.6	-65.8	0	0	0	0	111.9	Y602 K603 C629 V636 T638	C599-Y602 PolarHBondContact O-N 3.44Å; C599-K603 PolarHBondContact O-N 2.8Å; C599-C629 WeakPolarHBondContact CA-SG 3.34Å; C599-C629 HydrophobicContact CB-CB 3.59Å; C599-C629 WeakPolarHBondContact CB-SG 3.3Å; C599-C629 WeakPolarHBondContact SG-CA 3.31Å; C599-C629 WeakPolarHBondContact SG-CB 3.39Å; C599-C629 CovalentContact SG-SG 2.03Å; C599-C629 PolarHBondContact SG-SG 2.84Å; C599-V636 HydrophobicContact CB-CG1 3.43Å; C599-V636 VanDerWaalsContact CB-CG1 3.43Å; C599-T638 WeakPolarHBondContact CB-OG1 3.36Å; C599-T638 PolarHBondContact SG-OG1 2.9Å
600	E	91	Very high	90.1	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-47.8	175.7	-165.7	65.2	-140	0	0	109.5	S598 Y602 K603 H604 V636 D794 Y797 W798	S598-E600 PolarHBondContact O-N 2.84Å; S598-E600 WeakPolarHBondContact OG-CB 3.5Å; S598-E600 PolarHBondContact OG-N 2.86Å; E600-Y602 VanDerWaalsContact C-N 3.34Å; E600-Y602 PolarHBondContact O-N 3.37Å; E600-K603 WeakPolarHBondContact O-CB 3.48Å; E600-K603 PolarHBondContact O-N 2.89Å; E600-K603 VanDerWaalsContact O-N 3.12Å; E600-H604 PolarHBondContact O-CD2 2.66Å; E600-H604 PolarHBondContact O-N 2.82Å; E600-H604 VanDerWaalsContact O-N 3.13Å; E600-H604 IonicContact OE1-CD2 3.12Å; E600-H604 IonicContact OE1-CE1 2.76Å; E600-H604 IonicContact OE1-NE2 3.84Å; E600-H604 PolarHBondContact OE1-NE2 3.21Å; E600-V636 VanDerWaalsContact OE2-CB 3.23Å; E600-V636 WeakPolarHBondContact OE2-CB 3.38Å; E600-V636 WeakPolarHBondContact OE2-CG2 3.26Å; E600-D794 HydrophobicContact CB-CB 3.8Å; E600-D794 HydrophobicContact CG-CB 4.2Å; E600-Y797 HydrophobicContact CG-CD1 3.86Å; E600-Y797 HydrophobicContact CG-CE1 4.4Å; E600-Y797 HydrophobicContact CG-CG 4.38Å; E600-W798 HydrophobicContact CG-CZ2 4.37Å
601	A	91.2	Very high	90.2	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-56.7	-45	175.6	0	0	0	0	0	112.4	E596 P597 S598 K603 H604 L605 Y797	E596-A601 HydrophobicContact CB-CB 4.04Å; P597-A601 HydrophobicContact CG-CB 3.99Å; S598-A601 PolarHBondContact O-N 3.39Å; S598-A601 PolarHBondContact OG-N 3.27Å; S598-A601 VanDerWaalsContact OG-N 3.15Å; A601-K603 PolarHBondContact O-N 3.35Å; A601-H604 PolarHBondContact O-N 2.81Å; A601-H604 VanDerWaalsContact O-N 3.15Å; A601-L605 PolarHBondContact O-N 2.84Å; A601-Y797 HydrophobicContact CB-CD2 4.11Å; A601-Y797 HydrophobicContact CB-CE2 4.03Å
602	Y	91.2	Very high	90.5	Very high	31 Å²	31	43 Å²	43	12%	0.122	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-41.8	175	-82.8	-59.2	0	0	0	113.3	E596 S598 C599 E600 H604 L605 Q607 Y612 W613 I614	E596-Y602 HydrophobicContact CB-CD1 4.18Å; E596-Y602 HydrophobicContact CB-CD2 3.97Å; E596-Y602 HydrophobicContact CB-CE1 3.92Å; E596-Y602 HydrophobicContact CB-CE2 3.69Å; E596-Y602 HydrophobicContact CB-CG 4.21Å; E596-Y602 HydrophobicContact CG-CD1 3.91Å; E596-Y602 HydrophobicContact CG-CE1 3.59Å; E596-Y602 HydrophobicContact CG-CE2 4.32Å; E596-Y602 HydrophobicContact CG-CG 4.4Å; E596-Y602 PolarHBondContact N-OH 3.05Å; S598-Y602 WeakPolarHBondContact O-CD2 3.39Å; S598-Y602 PolarHBondContact O-N 2.72Å; C599-Y602 PolarHBondContact O-N 3.44Å; E600-Y602 VanDerWaalsContact C-N 3.34Å; E600-Y602 PolarHBondContact O-N 3.37Å; Y602-H604 VanDerWaalsContact C-N 3.26Å; Y602-H604 PolarHBondContact O-N 3.14Å; Y602-L605 HydrophobicContact CD1-CD1 4.39Å; Y602-L605 WeakPolarHBondContact O-CB 3.21Å; Y602-L605 PolarHBondContact O-N 2.77Å; Y602-Q607 HydrophobicContact CD1-CG 3.96Å; Y602-Q607 VanDerWaalsContact O-CB 3.26Å; Y602-Q607 WeakPolarHBondContact O-CB 3.28Å; Y602-Q607 WeakPolarHBondContact O-CG 3.48Å; Y602-Q607 PolarHBondContact O-N 2.99Å; Y602-Q607 VanDerWaalsContact O-N 3.17Å; Y602-Y612 AromaticContact CD1-CD1 3.97Å; Y602-Y612 HydrophobicContact CD1-CD1 3.97Å; Y602-Y612 HydrophobicContact CD1-CE1 4.12Å; Y602-Y612 AromaticContact CD2-CD1 3.89Å; Y602-Y612 HydrophobicContact CD2-CD1 3.89Å; Y602-Y612 AromaticContact CD2-CG 3.91Å; Y602-Y612 HydrophobicContact CD2-CG 3.91Å; Y602-Y612 AromaticContact CE1-CD1 3.91Å; Y602-Y612 HydrophobicContact CE1-CD1 3.91Å; Y602-Y612 HydrophobicContact CE1-CE1 4.31Å; Y602-Y612 AromaticContact CE2-CD1 3.82Å; Y602-Y612 HydrophobicContact CE2-CD1 3.82Å; Y602-Y612 HydrophobicContact CE2-CG 4Å; Y602-Y612 AromaticContact CG-CD1 3.96Å; Y602-Y612 HydrophobicContact CG-CD1 3.96Å; Y602-Y612 HydrophobicContact CG-CE1 4.31Å; Y602-Y612 HydrophobicContact CG-CG 4.29Å; Y602-Y612 AromaticContact CZ-CD1 3.84Å; Y602-W613 VanDerWaalsContact CE2-O 3.28Å; Y602-W613 WeakPolarHBondContact CE2-O 3.45Å; Y602-W613 PolarHBondContact OH-O 2.88Å; Y602-I614 HydrophobicContact CD2-CG2 4.18Å; Y602-I614 HydrophobicContact CE2-CG2 3.98Å
603	K	87.1	Confident	90.8	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-54.1	-46.2	173.8	178.8	-178.6	162.7	-171.6	0	110.3	C599 E600 A601 L605 G606 M631 V636 T999 F1000	C599-K603 PolarHBondContact O-N 2.8Å; E600-K603 WeakPolarHBondContact O-CB 3.48Å; E600-K603 PolarHBondContact O-N 2.89Å; E600-K603 VanDerWaalsContact O-N 3.12Å; A601-K603 PolarHBondContact O-N 3.35Å; K603-L605 PolarHBondContact O-N 2.82Å; K603-G606 WeakPolarHBondContact O-CA 3.21Å; K603-G606 PolarHBondContact O-N 2.8Å; K603-M631 VanDerWaalsContact CA-SD 3.54Å; K603-M631 HydrophobicContact CB-CG 4.18Å; K603-M631 HydrophobicContact CB-SD 3.61Å; K603-M631 HydrophobicContact CG-SD 4.4Å; K603-V636 HydrophobicContact CB-CG2 4.05Å; K603-V636 HydrophobicContact CD-CG2 3.16Å; K603-V636 HydrophobicContact CG-CG2 4.16Å; K603-T999 HydrophobicContact CD-CG2 4.45Å; K603-F1000 HydrophobicContact CG-CE2 4.31Å; K603-F1000 HydrophobicContact CG-CZ 3.62Å; K603-F1000 WeakPolarHBondContact O-CZ 3.4Å
604	H	84.3	Confident	91	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.046	23%	0.225	C	C	.	.	H	α-helix	trans	-72.3	-10	-178.5	-64.7	-62.2	0	0	0	114.7	E600 A601 Y602 G606 Y797 W798 Y970 Y987	E600-H604 PolarHBondContact O-CD2 2.66Å; E600-H604 PolarHBondContact O-N 2.82Å; E600-H604 VanDerWaalsContact O-N 3.13Å; E600-H604 IonicContact OE1-CD2 3.12Å; E600-H604 IonicContact OE1-CE1 2.76Å; E600-H604 IonicContact OE1-NE2 3.84Å; E600-H604 PolarHBondContact OE1-NE2 3.21Å; A601-H604 PolarHBondContact O-N 2.81Å; A601-H604 VanDerWaalsContact O-N 3.15Å; Y602-H604 VanDerWaalsContact C-N 3.26Å; Y602-H604 PolarHBondContact O-N 3.14Å; H604-G606 VanDerWaalsContact C-N 3.33Å; H604-Y797 HydrophobicContact CB-CE1 4.45Å; H604-Y797 VanDerWaalsContact CB-OH 3.23Å; H604-Y797 WeakPolarHBondContact CB-OH 3.39Å; H604-Y797 AromaticContact CD2-CD1 3.98Å; H604-Y797 AromaticContact CD2-CE1 3.1Å; H604-Y797 WeakPolarHBondContact CD2-CE1 3.46Å; H604-Y797 AromaticContact CD2-CZ 3.49Å; H604-Y797 VanDerWaalsContact CD2-CZ 3.49Å; H604-Y797 AromaticContact CG-CE1 3.82Å; H604-Y797 AromaticContact CG-CZ 3.89Å; H604-Y797 AromaticContact NE2-CE1 3.67Å; H604-W798 AromaticContact CE1-CH2 3.5Å; H604-W798 AromaticContact CE1-CZ2 3.49Å; H604-W798 VanDerWaalsContact CE1-CZ2 3.49Å; H604-W798 WeakPolarHBondContact CE1-CZ2 3.28Å; H604-W798 AromaticContact NE2-CH2 3.51Å; H604-W798 AromaticContact NE2-CZ2 3.13Å; H604-W798 WeakPolarHBondContact NE2-CZ2 3.41Å; H604-Y970 HydrophobicContact CB-CE1 4.31Å; H604-Y987 AromaticContact CE1-CE1 3.68Å; H604-Y987 AromaticContact ND1-CE1 3.38Å; H604-Y987 WeakPolarHBondContact ND1-CE1 3.45Å
605	L	83.7	Confident	91.1	Very high	67 Å²	67	40.6 Å²	40.6	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.5	166.6	-63.1	177.4	0	0	0	113.5	E596 A601 Y602 K603 Q607	E596-L605 HydrophobicContact CG-CD1 3.64Å; A601-L605 PolarHBondContact O-N 2.84Å; Y602-L605 HydrophobicContact CD1-CD1 4.39Å; Y602-L605 WeakPolarHBondContact O-CB 3.21Å; Y602-L605 PolarHBondContact O-N 2.77Å; K603-L605 PolarHBondContact O-N 2.82Å; L605-Q607 HydrophobicContact CB-CG 4.41Å
606	G	81.9	Confident	91	Very high	29 Å²	29	38.1 Å²	38.1	30%	0.299	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	17.1	-178.5	0	0	0	0	0	114.3	K603 H604	K603-G606 WeakPolarHBondContact O-CA 3.21Å; K603-G606 PolarHBondContact O-N 2.8Å; H604-G606 VanDerWaalsContact C-N 3.33Å
607	Q	84.4	Confident	90.9	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.379	19%	0.189	S	C	.	.			trans	-80.4	153.2	179.5	-62.7	-62.3	-44.1	0	0	112.6	Y602 L605 Y612 M631 F1000	Y602-Q607 HydrophobicContact CD1-CG 3.96Å; Y602-Q607 VanDerWaalsContact O-CB 3.26Å; Y602-Q607 WeakPolarHBondContact O-CB 3.28Å; Y602-Q607 WeakPolarHBondContact O-CG 3.48Å; Y602-Q607 PolarHBondContact O-N 2.99Å; Y602-Q607 VanDerWaalsContact O-N 3.17Å; L605-Q607 HydrophobicContact CB-CG 4.41Å; Q607-Y612 HydrophobicContact CB-CE1 4.38Å; Q607-Y612 HydrophobicContact CG-CE1 4.38Å; Q607-Y612 PolarHBondContact OE1-OH 3.48Å; Q607-M631 HydrophobicContact CB-CE 4.27Å; Q607-F1000 WeakPolarHBondContact O-CE2 3.42Å
608	T	83.8	Confident	90.8	Very high	66 Å²	66	36.2 Å²	36.2	41%	0.405	19%	0.186	S	C	.	.			trans	-109.6	165.8	-178.2	57.9	0	0	0	0	112.5	N610 Y612 M631	T608-N610 PolarHBondContact O-N 3.26Å; T608-Y612 WeakPolarHBondContact O-CE2 3.36Å; T608-Y612 PolarHBondContact O-OH 2.82Å; T608-Y612 VanDerWaalsContact O-OH 3.04Å; T608-M631 WeakPolarHBondContact O-CE 3.43Å
609	S	90.7	Very high	90.5	Very high	39 Å²	39	36.5 Å²	36.5	27%	0.273	19%	0.188	S	C	.	.	S	Bend	trans	-50.8	121.2	-178.4	-56.6	0	0	0	0	114	C629 N630 M631	S609-C629 CarbonylContact C-O 3.48Å; S609-C629 WeakPolarHBondContact CA-O 3.37Å; S609-C629 WeakPolarHBondContact CB-O 3.36Å; S609-N630 PolarHBondContact OG-OD1 2.9Å; S609-M631 PolarHBondContact OG-N 3.48Å
610	N	92.2	Very high	90.2	Very high	87 Å²	87	36.9 Å²	36.9	47%	0.465	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	-178.8	178.5	-155.2	-12.5	0	0	0	110.3	T608 Y612 C629	T608-N610 PolarHBondContact O-N 3.26Å; N610-Y612 HydrophobicContact CB-CD2 4.24Å; N610-Y612 HydrophobicContact CB-CE2 3.54Å; N610-Y612 WeakPolarHBondContact O-CD2 3.42Å; N610-C629 PolarHBondContact N-O 2.87Å; N610-C629 VanDerWaalsContact N-O 3.11Å; N610-C629 PolarHBondContact O-N 3.39Å
611	Y	95.8	Very high	90	Very high	133 Å²	133	42.3 Å²	42.3	52%	0.522	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128	164.3	-72.3	-84	0	0	0	111.1	V627 Y628	Y611-V627 VanDerWaalsContact CA-O 3.31Å; Y611-V627 WeakPolarHBondContact CA-O 3.45Å; Y611-Y628 HydrophobicContact CD1-CD2 4.16Å; Y611-Y628 AromaticContact CD2-CD2 3.75Å; Y611-Y628 HydrophobicContact CD2-CD2 3.75Å; Y611-Y628 HydrophobicContact CD2-CE2 4.32Å; Y611-Y628 HydrophobicContact CE1-CD2 4.08Å; Y611-Y628 HydrophobicContact CE1-CG 4.4Å; Y611-Y628 AromaticContact CE2-CD2 3.65Å; Y611-Y628 HydrophobicContact CE2-CD2 3.65Å; Y611-Y628 HydrophobicContact CE2-CE2 4.21Å; Y611-Y628 HydrophobicContact CG-CD2 4Å; Y611-Y628 AromaticContact CZ-CD2 3.82Å
612	Y	95.8	Very high	90	Very high	31 Å²	31	44 Å²	44	12%	0.122	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.5	175.7	-69.4	-87.3	0	0	0	110.2	Y602 Q607 T608 N610 K626 V627 C629 M631	Y602-Y612 AromaticContact CD1-CD1 3.97Å; Y602-Y612 HydrophobicContact CD1-CD1 3.97Å; Y602-Y612 HydrophobicContact CD1-CE1 4.12Å; Y602-Y612 AromaticContact CD2-CD1 3.89Å; Y602-Y612 HydrophobicContact CD2-CD1 3.89Å; Y602-Y612 AromaticContact CD2-CG 3.91Å; Y602-Y612 HydrophobicContact CD2-CG 3.91Å; Y602-Y612 AromaticContact CE1-CD1 3.91Å; Y602-Y612 HydrophobicContact CE1-CD1 3.91Å; Y602-Y612 HydrophobicContact CE1-CE1 4.31Å; Y602-Y612 AromaticContact CE2-CD1 3.82Å; Y602-Y612 HydrophobicContact CE2-CD1 3.82Å; Y602-Y612 HydrophobicContact CE2-CG 4Å; Y602-Y612 AromaticContact CG-CD1 3.96Å; Y602-Y612 HydrophobicContact CG-CD1 3.96Å; Y602-Y612 HydrophobicContact CG-CE1 4.31Å; Y602-Y612 HydrophobicContact CG-CG 4.29Å; Y602-Y612 AromaticContact CZ-CD1 3.84Å; Q607-Y612 HydrophobicContact CB-CE1 4.38Å; Q607-Y612 HydrophobicContact CG-CE1 4.38Å; Q607-Y612 PolarHBondContact OE1-OH 3.48Å; T608-Y612 WeakPolarHBondContact O-CE2 3.36Å; T608-Y612 PolarHBondContact O-OH 2.82Å; T608-Y612 VanDerWaalsContact O-OH 3.04Å; N610-Y612 HydrophobicContact CB-CD2 4.24Å; N610-Y612 HydrophobicContact CB-CE2 3.54Å; N610-Y612 WeakPolarHBondContact O-CD2 3.42Å; Y612-K626 WeakPolarHBondContact O-CA 3.31Å; Y612-V627 PolarHBondContact N-O 3.21Å; Y612-V627 PolarHBondContact O-N 2.85Å; Y612-C629 HydrophobicContact CD2-CB 3.8Å; Y612-C629 HydrophobicContact CE2-CB 4.34Å; Y612-M631 HydrophobicContact CD2-CE 4.22Å; Y612-M631 HydrophobicContact CE2-CE 3.58Å
613	W	96.9	Very high	90	Very high	108 Å²	108	44 Å²	44	41%	0.409	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.2	162	-73.5	91.3	0	0	0	107.4	Y595 Y602 P624 L625 K626	Y595-W613 HydrophobicContact CD1-CB 3.43Å; Y595-W613 VanDerWaalsContact CD1-CB 3.43Å; Y595-W613 HydrophobicContact CD1-CG 4.37Å; Y595-W613 HydrophobicContact CD2-CB 4.09Å; Y595-W613 HydrophobicContact CE1-CB 3.51Å; Y595-W613 AromaticContact CE1-CG 3.96Å; Y595-W613 HydrophobicContact CE1-CG 3.96Å; Y595-W613 HydrophobicContact CE2-CB 4.13Å; Y595-W613 HydrophobicContact CE2-CG 4.48Å; Y595-W613 HydrophobicContact CG-CB 3.74Å; Y602-W613 VanDerWaalsContact CE2-O 3.28Å; Y602-W613 WeakPolarHBondContact CE2-O 3.45Å; Y602-W613 PolarHBondContact OH-O 2.88Å; W613-P624 HydrophobicContact CE3-CB 4.14Å; W613-P624 HydrophobicContact CE3-CG 4.49Å; W613-L625 CarbonylContact C-O 3.43Å; W613-L625 VanDerWaalsContact CA-O 3.32Å; W613-L625 WeakPolarHBondContact CA-O 3.31Å; W613-K626 HydrophobicContact CD2-CB 3.97Å; W613-K626 HydrophobicContact CD2-CG 4.48Å; W613-K626 HydrophobicContact CE3-CB 4.11Å; W613-K626 HydrophobicContact CH2-CB 4.16Å; W613-K626 HydrophobicContact CZ2-CB 4.02Å; W613-K626 HydrophobicContact CZ2-CD 4.28Å; W613-K626 HydrophobicContact CZ3-CB 4.2Å
614	I	96.3	Very high	90.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.8	174.8	62.2	169	0	0	0	109.6	E596 Y602 P616 P624 L625 V627 T638 I675	E596-I614 CarbonylContact O-C 3.51Å; E596-I614 WeakPolarHBondContact O-CA 3.25Å; Y602-I614 HydrophobicContact CD2-CG2 4.18Å; Y602-I614 HydrophobicContact CE2-CG2 3.98Å; I614-P616 HydrophobicContact CD1-CG 4.24Å; I614-P616 HydrophobicContact CG1-CG 4.44Å; I614-P624 CarbonylContact O-C 2.96Å; I614-P624 WeakPolarHBondContact O-CA 3.3Å; I614-L625 HydrophobicContact CD1-CD2 4.29Å; I614-L625 HydrophobicContact CG1-CD2 3.82Å; I614-L625 HydrophobicContact CG1-CG 4.09Å; I614-L625 PolarHBondContact N-O 3.06Å; I614-L625 PolarHBondContact O-N 2.76Å; I614-V627 HydrophobicContact CD1-CG1 3.97Å; I614-V627 HydrophobicContact CD1-CG2 3.84Å; I614-V627 HydrophobicContact CG1-CG1 4.12Å; I614-V627 HydrophobicContact CG1-CG2 3.86Å; I614-V627 HydrophobicContact CG2-CG2 3.93Å; I614-T638 HydrophobicContact CD1-CG2 4.11Å; I614-I675 HydrophobicContact CD1-CD1 3.93Å; I614-I675 HydrophobicContact CD1-CG1 4.21Å
615	D	95.7	Very high	90.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.25	C	S	.	.			trans	-130	81.2	179.1	-167.7	-16.9	0	0	0	110.5	Y585 S593 E596 P597 D617 G618 P624	Y585-D615 WeakPolarHBondContact CE1-OD2 3.48Å; Y585-D615 PolarHBondContact OH-OD2 2.72Å; S593-D615 WeakPolarHBondContact CB-OD2 3.44Å; S593-D615 VanDerWaalsContact OG-CB 3.32Å; S593-D615 WeakPolarHBondContact OG-CB 3.42Å; S593-D615 PolarHBondContact OG-OD2 3.2Å; E596-D615 PolarHBondContact O-N 2.93Å; P597-D615 WeakPolarHBondContact CA-O 3.29Å; D615-D617 VanDerWaalsContact C-N 3.26Å; D615-D617 PolarHBondContact O-N 2.9Å; D615-D617 VanDerWaalsContact OD1-OD1 3.13Å; D615-G618 PolarHBondContact O-N 2.79Å; D615-G618 WeakPolarHBondContact OD1-CA 3.41Å; D615-G618 PolarHBondContact OD1-N 3.37Å; D615-P624 HydrophobicContact CB-CB 4.25Å
616	P	93.3	Very high	91.4	Very high	12 Å²	12	46.1 Å²	46.1	8%	0.078	25%	0.254	C	S	.	.	S	Bend	trans	-59.7	-30.8	-167.1	-25.8	35.6	0	0	0	115.3	P597 I614 L625 A674 I675 R941	P597-P616 VanDerWaalsContact O-CA 3.28Å; P597-P616 WeakPolarHBondContact O-CA 3.48Å; I614-P616 HydrophobicContact CD1-CG 4.24Å; I614-P616 HydrophobicContact CG1-CG 4.44Å; P616-L625 HydrophobicContact CG-CD2 3.99Å; P616-A674 HydrophobicContact CB-CB 4.01Å; P616-A674 HydrophobicContact CG-CB 4.46Å; P616-I675 HydrophobicContact CG-CG1 4.22Å; P616-R941 PolarHBondContact O-NH1 2.87Å; P616-R941 PolarHBondContact O-NH2 3.36Å
617	D	91.5	Very high	92.1	Very high	17 Å²	17	44.8 Å²	44.8	9%	0.091	24%	0.241	C	C	.	.	S	Bend	trans	-97.5	-16.2	176	61.5	-31.2	0	0	0	113.1	D615 S619 G620 P621 L622 R941 G944	D615-D617 VanDerWaalsContact C-N 3.26Å; D615-D617 PolarHBondContact O-N 2.9Å; D615-D617 VanDerWaalsContact OD1-OD1 3.13Å; D617-S619 PolarHBondContact O-N 3.05Å; D617-G620 PolarHBondContact O-N 2.78Å; D617-G620 WeakPolarHBondContact OD2-CA 3.14Å; D617-P621 WeakPolarHBondContact OD2-CD 3.45Å; D617-P621 VanDerWaalsContact OD2-N 3.13Å; D617-L622 WeakPolarHBondContact OD1-CB 3.35Å; D617-L622 WeakPolarHBondContact OD2-CA 3.31Å; D617-L622 VanDerWaalsContact OD2-CB 3.29Å; D617-L622 WeakPolarHBondContact OD2-CB 3.35Å; D617-L622 WeakPolarHBondContact OD2-CG 3.16Å; D617-L622 PolarHBondContact OD2-N 2.8Å; D617-R941 VanDerWaalsContact CA-NH1 3.34Å; D617-R941 PolarHBondContact O-NH1 2.88Å; D617-G944 WeakPolarHBondContact O-CA 3.42Å
618	G	90.4	Very high	92.7	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	24%	0.237	C	C	.	.	S	Bend	trans	70.1	-111.9	176.8	0	0	0	0	0	109.4	Y585 D615 G620	Y585-G618 WeakPolarHBondContact CE1-O 3.4Å; D615-G618 PolarHBondContact O-N 2.79Å; D615-G618 WeakPolarHBondContact OD1-CA 3.41Å; D615-G618 PolarHBondContact OD1-N 3.37Å; G618-G620 PolarHBondContact O-N 2.81Å; G618-G620 VanDerWaalsContact O-N 3.08Å
619	S	88.3	Confident	93.3	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.112	22%	0.217	C	C	.	.	S	Bend	trans	-79	20	176	-53.5	0	0	0	0	114.1	H591 D617	H591-S619 PolarHBondContact CD2-OG 3.24Å; H591-S619 VanDerWaalsContact CD2-OG 3.28Å; H591-S619 WeakPolarHBondContact CE1-CB 3.46Å; H591-S619 WeakPolarHBondContact NE2-CB 3.34Å; H591-S619 PolarHBondContact NE2-OG 3.38Å; H591-S619 WeakPolarHBondContact O-CB 3.24Å; H591-S619 PolarHBondContact O-OG 2.84Å; D617-S619 PolarHBondContact O-N 3.05Å
620	G	88.9	Confident	93.4	Very high	7 Å²	7	41.2 Å²	41.2	7%	0.072	21%	0.214	C	C	.	.	S	Bend	trans	-81	-178.9	174.6	0	0	0	0	0	112.3	H565 D617 G618 L622	H565-G620 PolarHBondContact NE2-O 2.8Å; H565-G620 VanDerWaalsContact NE2-O 3.1Å; D617-G620 PolarHBondContact O-N 2.78Å; D617-G620 WeakPolarHBondContact OD2-CA 3.14Å; G618-G620 PolarHBondContact O-N 2.81Å; G618-G620 VanDerWaalsContact O-N 3.08Å; G620-L622 VanDerWaalsContact C-N 3.29Å; G620-L622 PolarHBondContact O-N 3.03Å
621	P	87.4	Confident	93.1	Very high	129 Å²	129	37.2 Å²	37.2	84%	0.838	19%	0.192	S	C	*	.	S	Bend	trans	-73.3	-14.9	-175.2	30.6	-36.3	0	0	0	114.7	D617	D617-P621 WeakPolarHBondContact OD2-CD 3.45Å; D617-P621 VanDerWaalsContact OD2-N 3.13Å
622	L	90.4	Very high	92.2	Very high	39 Å²	39	34.1 Å²	34.1	20%	0.204	19%	0.187	C	C	.	.	S	Bend	trans	-84.6	139.8	-179.6	-49.9	174.9	0	0	0	109.9	Y585 D617 G620 D670 Q671 A674	Y585-L622 PolarHBondContact OH-O 3.23Å; D617-L622 WeakPolarHBondContact OD1-CB 3.35Å; D617-L622 WeakPolarHBondContact OD2-CA 3.31Å; D617-L622 VanDerWaalsContact OD2-CB 3.29Å; D617-L622 WeakPolarHBondContact OD2-CB 3.35Å; D617-L622 WeakPolarHBondContact OD2-CG 3.16Å; D617-L622 PolarHBondContact OD2-N 2.8Å; G620-L622 VanDerWaalsContact C-N 3.29Å; G620-L622 PolarHBondContact O-N 3.03Å; L622-D670 HydrophobicContact CD2-CB 3.77Å; L622-Q671 HydrophobicContact CB-CG 4.39Å; L622-A674 HydrophobicContact CD1-CB 3.93Å
623	G	91.1	Very high	91	Very high	31 Å²	31	39.6 Å²	39.6	32%	0.32	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-77.1	166.8	172.3	0	0	0	0	0	112.1	Q671	G623-Q671 PolarHBondContact O-NE2 3.11Å
624	P	94.8	Very high	89.7	Confident	23 Å²	23	37.9 Å²	37.9	15%	0.149	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.9	153.2	175.1	29.4	-36.2	0	0	0	111.5	Y595 W613 I614 D615 Q671	Y595-P624 HydrophobicContact CD2-CB 3.48Å; Y595-P624 VanDerWaalsContact CD2-CB 3.48Å; Y595-P624 HydrophobicContact CD2-CG 3.81Å; Y595-P624 HydrophobicContact CE2-CB 3.87Å; Y595-P624 HydrophobicContact CE2-CG 3.76Å; Y595-P624 HydrophobicContact CG-CB 4.42Å; W613-P624 HydrophobicContact CE3-CB 4.14Å; W613-P624 HydrophobicContact CE3-CG 4.49Å; I614-P624 CarbonylContact O-C 2.96Å; I614-P624 WeakPolarHBondContact O-CA 3.3Å; D615-P624 HydrophobicContact CB-CB 4.25Å; P624-Q671 PolarHBondContact O-NE2 2.93Å
625	L	95	Very high	89.1	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.5	175.9	76.2	147.1	0	0	0	112.6	W613 I614 P616 V627 A667 Q671 I675	W613-L625 CarbonylContact C-O 3.43Å; W613-L625 VanDerWaalsContact CA-O 3.32Å; W613-L625 WeakPolarHBondContact CA-O 3.31Å; I614-L625 HydrophobicContact CD1-CD2 4.29Å; I614-L625 HydrophobicContact CG1-CD2 3.82Å; I614-L625 HydrophobicContact CG1-CG 4.09Å; I614-L625 PolarHBondContact N-O 3.06Å; I614-L625 PolarHBondContact O-N 2.76Å; P616-L625 HydrophobicContact CG-CD2 3.99Å; L625-V627 HydrophobicContact CD1-CG1 3.67Å; L625-V627 HydrophobicContact CG-CG1 4Å; L625-A667 HydrophobicContact CB-CB 4.15Å; L625-A667 HydrophobicContact CD1-CB 3.49Å; L625-A667 VanDerWaalsContact CD1-CB 3.49Å; L625-A667 HydrophobicContact CG-CB 4.48Å; L625-Q671 HydrophobicContact CD1-CB 4.43Å; L625-Q671 HydrophobicContact CD2-CB 4.24Å; L625-I675 HydrophobicContact CD1-CD1 3.66Å; L625-I675 HydrophobicContact CD2-CD1 4.17Å; L625-I675 HydrophobicContact CG-CD1 4.4Å
626	K	95.4	Very high	88.8	Confident	101 Å²	101	43.3 Å²	43.3	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.3	177.2	-166.3	175.9	-178	178.9	0	110.8	Y612 W613	Y612-K626 WeakPolarHBondContact O-CA 3.31Å; W613-K626 HydrophobicContact CD2-CB 3.97Å; W613-K626 HydrophobicContact CD2-CG 4.48Å; W613-K626 HydrophobicContact CE3-CB 4.11Å; W613-K626 HydrophobicContact CH2-CB 4.16Å; W613-K626 HydrophobicContact CZ2-CB 4.02Å; W613-K626 HydrophobicContact CZ2-CD 4.28Å; W613-K626 HydrophobicContact CZ3-CB 4.2Å
627	V	96.9	Very high	88.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160	179.4	-60.6	0	0	0	0	110.5	Y611 Y612 I614 L625 T638 V640 I675	Y611-V627 VanDerWaalsContact CA-O 3.31Å; Y611-V627 WeakPolarHBondContact CA-O 3.45Å; Y612-V627 PolarHBondContact N-O 3.21Å; Y612-V627 PolarHBondContact O-N 2.85Å; I614-V627 HydrophobicContact CD1-CG1 3.97Å; I614-V627 HydrophobicContact CD1-CG2 3.84Å; I614-V627 HydrophobicContact CG1-CG1 4.12Å; I614-V627 HydrophobicContact CG1-CG2 3.86Å; I614-V627 HydrophobicContact CG2-CG2 3.93Å; L625-V627 HydrophobicContact CD1-CG1 3.67Å; L625-V627 HydrophobicContact CG-CG1 4Å; V627-T638 HydrophobicContact CB-CG2 3.99Å; V627-T638 HydrophobicContact CG1-CG2 3.97Å; V627-T638 HydrophobicContact CG2-CG2 4.06Å; V627-V640 HydrophobicContact CG1-CG2 4.1Å; V627-I675 HydrophobicContact CG1-CD1 4.26Å
628	Y	97.3	Very high	89.2	Confident	75 Å²	75	43.7 Å²	43.7	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.7	165	-174.6	-97.5	0	0	0	109	Y611 N630 I639	Y611-Y628 HydrophobicContact CD1-CD2 4.16Å; Y611-Y628 AromaticContact CD2-CD2 3.75Å; Y611-Y628 HydrophobicContact CD2-CD2 3.75Å; Y611-Y628 HydrophobicContact CD2-CE2 4.32Å; Y611-Y628 HydrophobicContact CE1-CD2 4.08Å; Y611-Y628 HydrophobicContact CE1-CG 4.4Å; Y611-Y628 AromaticContact CE2-CD2 3.65Å; Y611-Y628 HydrophobicContact CE2-CD2 3.65Å; Y611-Y628 HydrophobicContact CE2-CE2 4.21Å; Y611-Y628 HydrophobicContact CG-CD2 4Å; Y611-Y628 AromaticContact CZ-CD2 3.82Å; Y628-N630 HydrophobicContact CD1-CB 4.16Å; Y628-N630 HydrophobicContact CE1-CB 3.84Å; Y628-I639 HydrophobicContact CD1-CD1 4.12Å; Y628-I639 PolarHBondContact N-O 3.14Å; Y628-I639 WeakPolarHBondContact O-CB 3.41Å; Y628-I639 PolarHBondContact O-N 2.91Å
629	C	95.6	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	113.5	173.5	-60.6	0	0	0	0	108.5	C599 S609 N610 Y612 M631 W637	C599-C629 WeakPolarHBondContact CA-SG 3.34Å; C599-C629 HydrophobicContact CB-CB 3.59Å; C599-C629 WeakPolarHBondContact CB-SG 3.3Å; C599-C629 WeakPolarHBondContact SG-CA 3.31Å; C599-C629 WeakPolarHBondContact SG-CB 3.39Å; C599-C629 CovalentContact SG-SG 2.03Å; C599-C629 PolarHBondContact SG-SG 2.84Å; S609-C629 CarbonylContact C-O 3.48Å; S609-C629 WeakPolarHBondContact CA-O 3.37Å; S609-C629 WeakPolarHBondContact CB-O 3.36Å; N610-C629 PolarHBondContact N-O 2.87Å; N610-C629 VanDerWaalsContact N-O 3.11Å; N610-C629 PolarHBondContact O-N 3.39Å; Y612-C629 HydrophobicContact CD2-CB 3.8Å; Y612-C629 HydrophobicContact CE2-CB 4.34Å; C629-M631 HydrophobicContact CB-CE 3.73Å; C629-M631 HydrophobicContact CB-CG 4.37Å; C629-W637 CarbonylContact C-O 3.54Å; C629-W637 WeakPolarHBondContact CA-O 3.26Å
630	N	93.4	Very high	89.9	Confident	36 Å²	36	43.7 Å²	43.7	19%	0.193	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	93.9	169.6	-171.5	14.1	0	0	0	109.7	S609 Y628 T632 W637 I639	S609-N630 PolarHBondContact OG-OD1 2.9Å; Y628-N630 HydrophobicContact CD1-CB 4.16Å; Y628-N630 HydrophobicContact CE1-CB 3.84Å; N630-T632 PolarHBondContact O-N 2.8Å; N630-T632 WeakPolarHBondContact OD1-CG2 3.4Å; N630-W637 HydrophobicContact CB-CB 4.14Å; N630-W637 PolarHBondContact N-O 3.26Å; N630-W637 PolarHBondContact O-N 3.18Å; N630-I639 HydrophobicContact CB-CD1 4.18Å
631	M	85.7	Confident	90.1	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	64	-179	-63.2	174.5	-101.2	0	0	109.7	K603 Q607 T608 S609 Y612 C629 V636 T999	K603-M631 VanDerWaalsContact CA-SD 3.54Å; K603-M631 HydrophobicContact CB-CG 4.18Å; K603-M631 HydrophobicContact CB-SD 3.61Å; K603-M631 HydrophobicContact CG-SD 4.4Å; Q607-M631 HydrophobicContact CB-CE 4.27Å; T608-M631 WeakPolarHBondContact O-CE 3.43Å; S609-M631 PolarHBondContact OG-N 3.48Å; Y612-M631 HydrophobicContact CD2-CE 4.22Å; Y612-M631 HydrophobicContact CE2-CE 3.58Å; C629-M631 HydrophobicContact CB-CE 3.73Å; C629-M631 HydrophobicContact CB-CG 4.37Å; M631-V636 HydrophobicContact CG-CG1 3.84Å; M631-V636 HydrophobicContact CG-CG2 4.23Å; M631-T999 PolarHBondContact O-OG1 2.88Å
632	T	75.7	Confident	90.4	Very high	67 Å²	67	41.5 Å²	41.5	41%	0.411	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.1	176.7	45.8	0	0	0	0	110.7	N630 D634 K635	N630-T632 PolarHBondContact O-N 2.8Å; N630-T632 WeakPolarHBondContact OD1-CG2 3.4Å; T632-D634 PolarHBondContact O-N 3.36Å; T632-K635 PolarHBondContact O-N 3.28Å; T632-K635 VanDerWaalsContact O-O 3.11Å
633	E	70.5	Confident	90.4	Very high	146 Å²	146	44.3 Å²	44.3	68%	0.682	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	-120.7	175.3	-56.5	176.6	178.1	0	0	111.9	T999	E633-T999 PolarHBondContact N-OG1 3.16Å; E633-T999 WeakPolarHBondContact O-CG2 3.29Å
634	D	71.4	Confident	90.2	Very high	72 Å²	72	44.1 Å²	44.1	39%	0.385	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-22.2	-169.4	-65.4	-20.3	0	0	0	113.9	T632 R983 S988	T632-D634 PolarHBondContact O-N 3.36Å; D634-R983 VanDerWaalsContact CB-NH1 3.26Å; D634-R983 IonicContact OD1-CZ 2.7Å; D634-R983 VanDerWaalsContact OD1-CZ 3.24Å; D634-R983 IonicContact OD1-NE 2.89Å; D634-R983 IonicContact OD1-NH1 3.29Å; D634-R983 IonicContact OD1-NH2 2.8Å; D634-R983 PolarHBondContact OD1-NH2 3.44Å; D634-R983 IonicContact OD2-CZ 3.59Å; D634-R983 IonicContact OD2-NH1 3.2Å; D634-R983 PolarHBondContact OD2-NH1 3.16Å; D634-R983 IonicContact OD2-NH2 3.66Å; D634-R983 PolarHBondContact OD2-NH2 2.77Å; D634-S988 WeakPolarHBondContact OD1-CB 3.29Å
635	K	82.6	Confident	89.4	Confident	112 Å²	112	50.5 Å²	50.5	49%	0.487	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.4	-170.5	-70.6	172.6	164.7	-153.6	0	110.2	T632 Q792	T632-K635 PolarHBondContact O-N 3.28Å; T632-K635 VanDerWaalsContact O-O 3.11Å; K635-Q792 VanDerWaalsContact CE-OE1 3.3Å
636	V	90.2	Very high	88.6	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.5	171.5	-177.6	0	0	0	0	108.8	C599 E600 K603 M631 Q792	C599-V636 HydrophobicContact CB-CG1 3.43Å; C599-V636 VanDerWaalsContact CB-CG1 3.43Å; E600-V636 VanDerWaalsContact OE2-CB 3.23Å; E600-V636 WeakPolarHBondContact OE2-CB 3.38Å; E600-V636 WeakPolarHBondContact OE2-CG2 3.26Å; K603-V636 HydrophobicContact CB-CG2 4.05Å; K603-V636 HydrophobicContact CD-CG2 3.16Å; K603-V636 HydrophobicContact CG-CG2 4.16Å; M631-V636 HydrophobicContact CG-CG1 3.84Å; M631-V636 HydrophobicContact CG-CG2 4.23Å; V636-Q792 VanDerWaalsContact O-CA 3.22Å; V636-Q792 WeakPolarHBondContact O-CA 3.46Å; V636-Q792 VanDerWaalsContact O-CB 3.31Å; V636-Q792 WeakPolarHBondContact O-CB 3.4Å
637	W	94.8	Very high	87.9	Confident	23 Å²	23	57.9 Å²	57.9	9%	0.087	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.9	174.2	-66.5	90.1	0	0	0	110.7	C629 N630 I639 Y681 E683 R790 C791 Q792	C629-W637 CarbonylContact C-O 3.54Å; C629-W637 WeakPolarHBondContact CA-O 3.26Å; N630-W637 HydrophobicContact CB-CB 4.14Å; N630-W637 PolarHBondContact N-O 3.26Å; N630-W637 PolarHBondContact O-N 3.18Å; W637-I639 HydrophobicContact CB-CG1 4.18Å; W637-Y681 HydrophobicContact CH2-CD1 4.17Å; W637-Y681 HydrophobicContact CH2-CE1 4.08Å; W637-Y681 HydrophobicContact CZ3-CD1 4.44Å; W637-E683 HydrophobicContact CH2-CG 4.09Å; W637-E683 HydrophobicContact CZ3-CG 3.95Å; W637-R790 HydrophobicContact CE3-CB 3.61Å; W637-R790 HydrophobicContact CZ3-CB 3.72Å; W637-C791 CarbonylContact C-O 3.55Å; W637-C791 VanDerWaalsContact CA-O 3.29Å; W637-C791 WeakPolarHBondContact CA-O 3.27Å; W637-Q792 HydrophobicContact CD2-CB 4.03Å; W637-Q792 HydrophobicContact CD2-CG 4.48Å; W637-Q792 HydrophobicContact CE3-CB 3.94Å; W637-Q792 HydrophobicContact CE3-CG 4.19Å; W637-Q792 HydrophobicContact CH2-CG 3.97Å; W637-Q792 HydrophobicContact CZ2-CG 4.22Å; W637-Q792 HydrophobicContact CZ3-CB 4.22Å; W637-Q792 HydrophobicContact CZ3-CG 3.94Å
638	T	96.9	Very high	87.3	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.086	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	117.8	163.1	-59.4	0	0	0	0	108.3	C599 I614 V627 I675 C791	C599-T638 WeakPolarHBondContact CB-OG1 3.36Å; C599-T638 PolarHBondContact SG-OG1 2.9Å; I614-T638 HydrophobicContact CD1-CG2 4.11Å; V627-T638 HydrophobicContact CB-CG2 3.99Å; V627-T638 HydrophobicContact CG1-CG2 3.97Å; V627-T638 HydrophobicContact CG2-CG2 4.06Å; T638-I675 HydrophobicContact CG2-CD1 4.16Å; T638-I675 HydrophobicContact CG2-CG2 4.04Å; T638-C791 PolarHBondContact N-O 2.72Å; T638-C791 PolarHBondContact O-N 3.39Å
639	I	97.1	Very high	86.9	Confident	29 Å²	29	60 Å²	60	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.6	-176.1	-52.8	-174.2	0	0	0	109.8	Y628 N630 W637 P788 L789 R790	Y628-I639 HydrophobicContact CD1-CD1 4.12Å; Y628-I639 PolarHBondContact N-O 3.14Å; Y628-I639 WeakPolarHBondContact O-CB 3.41Å; Y628-I639 PolarHBondContact O-N 2.91Å; N630-I639 HydrophobicContact CB-CD1 4.18Å; W637-I639 HydrophobicContact CB-CG1 4.18Å; I639-P788 HydrophobicContact CG2-CB 3.65Å; I639-P788 HydrophobicContact CG2-CG 3.81Å; I639-L789 WeakPolarHBondContact CA-O 3.42Å; I639-R790 HydrophobicContact CD1-CG 4.46Å; I639-R790 HydrophobicContact CG1-CG 4.22Å; I639-R790 HydrophobicContact CG2-CG 4.34Å
640	V	96.2	Very high	86.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121	177.6	-169.8	0	0	0	0	109.6	V627 Y665 I672 I675 P788 L789	V627-V640 HydrophobicContact CG1-CG2 4.1Å; V640-Y665 HydrophobicContact CG1-CD1 4.13Å; V640-I672 HydrophobicContact CG1-CD1 4.37Å; V640-I672 HydrophobicContact CG1-CG1 4.31Å; V640-I675 HydrophobicContact CG2-CD1 4.09Å; V640-P788 WeakPolarHBondContact O-CA 3.39Å; V640-P788 VanDerWaalsContact O-CB 3.29Å; V640-P788 WeakPolarHBondContact O-CB 3.35Å; V640-L789 HydrophobicContact CB-CB 4.43Å; V640-L789 PolarHBondContact N-O 2.86Å; V640-L789 PolarHBondContact O-N 3.35Å
641	S	94	Very high	85.2	Confident	58 Å²	58	64.6 Å²	64.6	41%	0.406	34%	0.339	S	S	.	.			trans	-89.6	155.8	-178	52.2	0	0	0	0	113.1	S666	S641-S666 PolarHBondContact O-N 2.81Å; S641-S666 VanDerWaalsContact O-N 3.11Å; S641-S666 PolarHBondContact O-OG 2.86Å
642	H	93.6	Very high	83.8	Confident	31 Å²	31	65.3 Å²	65.3	14%	0.144	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-125.6	171.7	170.3	61	62.7	0	0	0	110.9	L644 V664 Y665 V786 G787	H642-L644 WeakPolarHBondContact ND1-CB 3.17Å; H642-L644 PolarHBondContact ND1-N 2.66Å; H642-V664 CarbonylContact C-O 3.59Å; H642-V664 VanDerWaalsContact CA-O 3.26Å; H642-V664 WeakPolarHBondContact CA-O 3.48Å; H642-V664 WeakPolarHBondContact CB-O 3.48Å; H642-Y665 HydrophobicContact CB-CD1 3.9Å; H642-Y665 HydrophobicContact CB-CE1 3.92Å; H642-Y665 HydrophobicContact CB-CG 4.21Å; H642-Y665 AromaticContact CD2-CE1 3.99Å; H642-V786 PolarHBondContact CE1-O 2.97Å; H642-V786 PolarHBondContact NE2-O 2.94Å; H642-V786 VanDerWaalsContact NE2-O 3.13Å; H642-G787 PolarHBondContact NE2-O 2.88Å; H642-G787 VanDerWaalsContact NE2-O 3.17Å
643	D	90	Very high	82.9	Confident	98 Å²	98	67.6 Å²	67.6	52%	0.524	35%	0.349	S	S	.	.	S	Bend	trans	-82.1	-17.4	-175.7	67.5	-22.1	0	0	0	115.6	Q645 V664	D643-Q645 PolarHBondContact O-N 2.85Å; D643-V664 PolarHBondContact N-O 3.35Å; D643-V664 PolarHBondContact OD1-N 3Å
644	L	86.9	Confident	82.1	Confident	28 Å²	28	63.4 Å²	63.4	15%	0.147	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-59.7	127.8	-179	-172.4	70.5	0	0	0	112.6	H642 T648 T661 L663 V786	H642-L644 WeakPolarHBondContact ND1-CB 3.17Å; H642-L644 PolarHBondContact ND1-N 2.66Å; L644-T648 HydrophobicContact CD1-CG2 4.07Å; L644-T648 WeakPolarHBondContact CD1-OG1 3.44Å; L644-T661 HydrophobicContact CD1-CG2 3.62Å; L644-T661 HydrophobicContact CD2-CG2 4.29Å; L644-L663 HydrophobicContact CB-CG 4.39Å; L644-L663 HydrophobicContact CD2-CD1 4.41Å; L644-L663 HydrophobicContact CD2-CG 4.37Å; L644-V786 HydrophobicContact CD2-CB 4.06Å; L644-V786 HydrophobicContact CD2-CG2 3.96Å
645	Q	79.1	Confident	81.3	Confident	157 Å²	157	64.9 Å²	64.9	73%	0.734	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-77	152.1	178.6	-63.4	-179.3	10	0	0	112.4	D643 Q647 T648	D643-Q645 PolarHBondContact O-N 2.85Å; Q645-Q647 PolarHBondContact O-N 3.12Å; Q645-T648 PolarHBondContact O-OG1 3.18Å
646	M	77.9	Confident	80.1	Confident	164 Å²	164	68.1 Å²	68.1	81%	0.808	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.4	177.3	-159.1	176	78	0	0	111
647	Q	80.1	Confident	78.9	Confident	95 Å²	95	72.9 Å²	72.9	44%	0.444	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	54.1	-175.7	-58.6	-166.7	20	0	0	115	Q645 P649 K783 L784 S785	Q645-Q647 PolarHBondContact O-N 3.12Å; Q647-P649 WeakPolarHBondContact O-CD 3.48Å; Q647-K783 HydrophobicContact CB-CB 4.5Å; Q647-K783 HydrophobicContact CB-CD 4.26Å; Q647-L784 CarbonylContact C-O 3.5Å; Q647-L784 WeakPolarHBondContact CA-O 3.42Å; Q647-S785 WeakPolarHBondContact CA-OG 3.33Å; Q647-S785 PolarHBondContact N-OG 3.42Å
648	T	84.9	Confident	77.9	Confident	34 Å²	34	76.7 Å²	76.7	21%	0.209	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.8	175.9	-63.4	0	0	0	0	110.6	L644 Q645 K783 L784	L644-T648 HydrophobicContact CD1-CG2 4.07Å; L644-T648 WeakPolarHBondContact CD1-OG1 3.44Å; Q645-T648 PolarHBondContact O-OG1 3.18Å; T648-K783 CarbonylContact O-C 3.38Å; T648-K783 VanDerWaalsContact O-CA 3.3Å; T648-K783 WeakPolarHBondContact O-CA 3.47Å; T648-L784 PolarHBondContact N-O 3.34Å; T648-L784 PolarHBondContact O-N 2.83Å
649	P	87.9	Confident	77.2	Confident	87 Å²	87	77.2 Å²	77.2	57%	0.565	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.3	176.9	29.2	-33.2	0	0	0	110.5	Q647	Q647-P649 WeakPolarHBondContact O-CD 3.48Å
650	V	82.8	Confident	76.5	Confident	9 Å²	9	79.7 Å²	79.7	6%	0.055	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.2	178.2	-168.1	0	0	0	0	107.8	S659 V772 A782 L784	V650-S659 VanDerWaalsContact CG1-CB 3.5Å; V650-S659 VanDerWaalsContact CG1-OG 3.26Å; V650-S659 WeakPolarHBondContact CG1-OG 3.39Å; V650-V772 HydrophobicContact CG1-CB 3.95Å; V650-V772 HydrophobicContact CG1-CG1 4.23Å; V650-V772 HydrophobicContact CG1-CG2 4.22Å; V650-V772 HydrophobicContact CG2-CG2 4.46Å; V650-A782 PolarHBondContact N-O 2.89Å; V650-L784 HydrophobicContact CG2-CB 4.23Å; V650-L784 HydrophobicContact CG2-CD1 3.54Å; V650-L784 HydrophobicContact CG2-CG 3.67Å
651	V	70.3	Confident	76.1	Confident	123 Å²	123	80.6 Å²	80.6	75%	0.745	42%	0.423	S	S	*	.			trans	-114.9	127.5	-174	-177.1	0	0	0	0	110.6
652	G	57.7	Low	75.9	Confident	19 Å²	19	84.1 Å²	84.1	20%	0.196	43%	0.433	C	S	.	.			trans	88.4	145.9	159.4	0	0	0	0	0	116.2
653	Y	56	Low	75.7	Confident	115 Å²	115	82.9 Å²	82.9	45%	0.451	43%	0.428	S	S	.	.			trans	106.8	145.7	157.2	-84.2	-84.2	0	0	0	120.2	K657 D776	Y653-K657 CarbonylContact C-O 3.46Å; Y653-K657 WeakPolarHBondContact CB-O 3.23Å; Y653-K657 HydrophobicContact CD1-CB 3.52Å; Y653-K657 HydrophobicContact CD1-CD 3.46Å; Y653-K657 VanDerWaalsContact CD1-CD 3.46Å; Y653-K657 HydrophobicContact CD1-CG 3.46Å; Y653-K657 VanDerWaalsContact CD1-CG 3.46Å; Y653-K657 HydrophobicContact CE1-CB 4.19Å; Y653-K657 HydrophobicContact CE1-CD 3.24Å; Y653-K657 HydrophobicContact CE1-CG 3.83Å; Y653-K657 HydrophobicContact CG-CB 4.12Å; Y653-K657 HydrophobicContact CG-CD 4.22Å; Y653-K657 HydrophobicContact CG-CG 3.88Å; Y653-K657 PolarHBondContact OH-NZ 3.12Å; Y653-D776 WeakPolarHBondContact O-CB 3.26Å
654	N	53.1	Low	75.8	Confident	57 Å²	57	82.3 Å²	82.3	31%	0.305	43%	0.428	S	S	.	.			trans	-83.9	173.8	-162.3	65.7	8.5	0	0	0	113.1	E656 K657	N654-E656 PolarHBondContact O-N 3.17Å; N654-E656 PolarHBondContact OD1-N 3.2Å; N654-K657 PolarHBondContact N-O 3.43Å; N654-K657 CarbonylContact O-C 3.41Å; N654-K657 PolarHBondContact O-N 2.82Å; N654-K657 WeakPolarHBondContact OD1-CB 3.44Å; N654-K657 PolarHBondContact OD1-N 2.87Å
655	P	54.9	Low	76.1	Confident	104 Å²	104	81.9 Å²	81.9	68%	0.675	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.1	-179	-25.1	34.3	0	0	0	115.6
656	E	57.7	Low	76.6	Confident	180 Å²	180	77.7 Å²	77.7	84%	0.841	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.2	176.8	-65	-176.2	170.6	0	0	112.9	N654	N654-E656 PolarHBondContact O-N 3.17Å; N654-E656 PolarHBondContact OD1-N 3.2Å
657	K	65.6	Low	77.3	Confident	105 Å²	105	70.7 Å²	70.7	46%	0.457	38%	0.38	S	S	.	.	S	Bend	trans	-147.1	112.7	-174.4	-167.5	153.2	163.4	-168.8	0	110.3	Y653 N654	Y653-K657 CarbonylContact C-O 3.46Å; Y653-K657 WeakPolarHBondContact CB-O 3.23Å; Y653-K657 HydrophobicContact CD1-CB 3.52Å; Y653-K657 HydrophobicContact CD1-CD 3.46Å; Y653-K657 VanDerWaalsContact CD1-CD 3.46Å; Y653-K657 HydrophobicContact CD1-CG 3.46Å; Y653-K657 VanDerWaalsContact CD1-CG 3.46Å; Y653-K657 HydrophobicContact CE1-CB 4.19Å; Y653-K657 HydrophobicContact CE1-CD 3.24Å; Y653-K657 HydrophobicContact CE1-CG 3.83Å; Y653-K657 HydrophobicContact CG-CB 4.12Å; Y653-K657 HydrophobicContact CG-CD 4.22Å; Y653-K657 HydrophobicContact CG-CG 3.88Å; Y653-K657 PolarHBondContact OH-NZ 3.12Å; N654-K657 PolarHBondContact N-O 3.43Å; N654-K657 CarbonylContact O-C 3.41Å; N654-K657 PolarHBondContact O-N 2.82Å; N654-K657 WeakPolarHBondContact OD1-CB 3.44Å; N654-K657 PolarHBondContact OD1-N 2.87Å
658	Y	74	Confident	77.8	Confident	102 Å²	102	68.5 Å²	68.5	40%	0.4	38%	0.376	S	S	.	.			trans	-90.6	152.2	-177.4	-56.4	-87	0	0	0	111.5	W706 V771	Y658-W706 AromaticContact CD1-CH2 3.64Å; Y658-W706 HydrophobicContact CD1-CH2 3.64Å; Y658-W706 HydrophobicContact CD1-CZ3 4.03Å; Y658-W706 HydrophobicContact CD2-CH2 4.06Å; Y658-W706 AromaticContact CE1-CH2 3.46Å; Y658-W706 HydrophobicContact CE1-CH2 3.46Å; Y658-W706 VanDerWaalsContact CE1-CH2 3.46Å; Y658-W706 AromaticContact CE1-CZ3 3.7Å; Y658-W706 HydrophobicContact CE1-CZ3 3.7Å; Y658-W706 AromaticContact CE2-CH2 3.89Å; Y658-W706 HydrophobicContact CE2-CH2 3.89Å; Y658-W706 AromaticContact CG-CH2 3.95Å; Y658-W706 HydrophobicContact CG-CH2 3.95Å; Y658-W706 AromaticContact CZ-CH2 3.59Å; Y658-V771 HydrophobicContact CD1-CG1 4.09Å; Y658-V771 HydrophobicContact CG-CG1 3.76Å
659	S	81.4	Confident	78	Confident	25 Å²	25	70 Å²	70	18%	0.175	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.3	164.7	-167.1	0	0	0	0	109	V650 V771 V772	V650-S659 VanDerWaalsContact CG1-CB 3.5Å; V650-S659 VanDerWaalsContact CG1-OG 3.26Å; V650-S659 WeakPolarHBondContact CG1-OG 3.39Å; S659-V771 CarbonylContact O-C 3.4Å; S659-V771 WeakPolarHBondContact O-CA 3.49Å; S659-V772 PolarHBondContact N-O 2.87Å; S659-V772 PolarHBondContact O-N 3.49Å
660	V	83.5	Confident	78.1	Confident	81 Å²	81	71 Å²	71	49%	0.491	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.9	-178.7	-177.4	0	0	0	0	108.4	Q769 V771	V660-Q769 HydrophobicContact CG1-CB 4.37Å; V660-V771 HydrophobicContact CG1-CG2 4.47Å; V660-V771 HydrophobicContact CG2-CG1 4.38Å; V660-V771 HydrophobicContact CG2-CG2 4.28Å
661	T	87.4	Confident	78.6	Confident	20 Å²	20	71.9 Å²	71.9	12%	0.123	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.2	172	-56.1	0	0	0	0	108.2	L644 Q769 V770	L644-T661 HydrophobicContact CD1-CG2 3.62Å; L644-T661 HydrophobicContact CD2-CG2 4.29Å; T661-Q769 CarbonylContact O-C 3.51Å; T661-Q769 WeakPolarHBondContact O-CA 3.18Å; T661-V770 PolarHBondContact N-O 3.07Å; T661-V770 PolarHBondContact O-N 2.8Å
662	Q	88.2	Confident	79.7	Confident	132 Å²	132	66 Å²	66	62%	0.617	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.1	177.5	-175.5	169.9	-2.5	0	0	110.2	Q769	Q662-Q769 HydrophobicContact CG-CG 4.45Å
663	L	91.4	Very high	81.4	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.031	35%	0.349	C	S	.	.			trans	-101.9	128.3	177.7	-74.7	74.7	0	0	0	109.7	L644 Y665 V767 S768 V786	L644-L663 HydrophobicContact CB-CG 4.39Å; L644-L663 HydrophobicContact CD2-CD1 4.41Å; L644-L663 HydrophobicContact CD2-CG 4.37Å; L663-Y665 HydrophobicContact CB-CE2 3.97Å; L663-V767 HydrophobicContact CD1-CG1 4.41Å; L663-V767 HydrophobicContact CD2-CG1 4.47Å; L663-S768 PolarHBondContact N-O 2.94Å; L663-V786 HydrophobicContact CD2-CB 3.85Å; L663-V786 HydrophobicContact CD2-CG1 3.61Å; L663-V786 HydrophobicContact CD2-CG2 4.17Å
664	V	91.3	Very high	83.2	Confident	85 Å²	85	62 Å²	62	52%	0.515	34%	0.337	S	S	.	.			trans	-105.9	113.3	173.8	-173.7	0	0	0	0	108.6	H642 D643	H642-V664 CarbonylContact C-O 3.59Å; H642-V664 VanDerWaalsContact CA-O 3.26Å; H642-V664 WeakPolarHBondContact CA-O 3.48Å; H642-V664 WeakPolarHBondContact CB-O 3.48Å; D643-V664 PolarHBondContact N-O 3.35Å; D643-V664 PolarHBondContact OD1-N 3Å
665	Y	93.5	Very high	85.1	Confident	20 Å²	20	59.7 Å²	59.7	8%	0.078	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-82.3	159	177.6	-70.8	-91.7	0	0	0	111.6	V640 H642 L663 A667 M669 I672 Q684 P766 V767	V640-Y665 HydrophobicContact CG1-CD1 4.13Å; H642-Y665 HydrophobicContact CB-CD1 3.9Å; H642-Y665 HydrophobicContact CB-CE1 3.92Å; H642-Y665 HydrophobicContact CB-CG 4.21Å; H642-Y665 AromaticContact CD2-CE1 3.99Å; L663-Y665 HydrophobicContact CB-CE2 3.97Å; Y665-A667 PolarHBondContact O-N 3.01Å; Y665-A667 VanDerWaalsContact O-N 3.14Å; Y665-M669 HydrophobicContact CD2-CE 3.94Å; Y665-M669 HydrophobicContact CE2-CE 4.08Å; Y665-I672 HydrophobicContact CD1-CD1 4Å; Y665-I672 HydrophobicContact CD2-CD1 4.16Å; Y665-I672 HydrophobicContact CG-CD1 3.64Å; Y665-Q684 PolarHBondContact OH-NE2 3.02Å; Y665-P766 HydrophobicContact CE1-CB 4.18Å; Y665-P766 HydrophobicContact CE2-CB 4.19Å; Y665-P766 HydrophobicContact CE2-CG 4.17Å; Y665-P766 WeakPolarHBondContact OH-CB 3.35Å; Y665-V767 VanDerWaalsContact CE2-O 3.31Å; Y665-V767 WeakPolarHBondContact CE2-O 3.44Å; Y665-V767 PolarHBondContact OH-O 3.08Å
666	S	88.8	Confident	87	Confident	68 Å²	68	54.7 Å²	54.7	48%	0.476	29%	0.292	S	S	.	.	S	Bend	trans	-71.4	4.6	172.3	59.2	0	0	0	0	114.4	S641	S641-S666 PolarHBondContact O-N 2.81Å; S641-S666 VanDerWaalsContact O-N 3.11Å; S641-S666 PolarHBondContact O-OG 2.86Å
667	A	92	Very high	88.6	Confident	17 Å²	17	50.2 Å²	50.2	14%	0.14	27%	0.274	C	S	.	.	S	Bend	trans	-145.2	160	-177.4	0	0	0	0	0	110.5	L625 Y665 Q671 I672	L625-A667 HydrophobicContact CB-CB 4.15Å; L625-A667 HydrophobicContact CD1-CB 3.49Å; L625-A667 VanDerWaalsContact CD1-CB 3.49Å; L625-A667 HydrophobicContact CG-CB 4.48Å; Y665-A667 PolarHBondContact O-N 3.01Å; Y665-A667 VanDerWaalsContact O-N 3.14Å; A667-Q671 HydrophobicContact CB-CB 4.24Å; A667-I672 HydrophobicContact CB-CD1 4.39Å; A667-I672 HydrophobicContact CB-CG1 4.04Å
668	S	91.4	Very high	89.8	Confident	50 Å²	50	46 Å²	46	35%	0.35	26%	0.257	S	S	.	.			trans	-70.9	159	174.5	77.6	0	0	0	0	111.5	D670 Q671 I672	S668-D670 PolarHBondContact O-N 3.26Å; S668-Q671 PolarHBondContact O-N 3.04Å; S668-Q671 WeakPolarHBondContact OG-CG 3.09Å; S668-Q671 PolarHBondContact OG-N 3.19Å; S668-Q671 PolarHBondContact OG-OE1 3.2Å; S668-I672 WeakPolarHBondContact O-CG1 3.41Å; S668-I672 PolarHBondContact O-N 2.87Å
669	M	88.3	Confident	90.8	Very high	64 Å²	64	41.2 Å²	41.2	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-30.3	176.9	-73.8	-63.1	178.4	0	0	112.6	Y665 I672 S673 P766	Y665-M669 HydrophobicContact CD2-CE 3.94Å; Y665-M669 HydrophobicContact CE2-CE 4.08Å; M669-I672 PolarHBondContact O-N 3.21Å; M669-I672 HydrophobicContact SD-CD1 4.33Å; M669-S673 WeakPolarHBondContact O-CB 3.33Å; M669-S673 PolarHBondContact O-N 3.27Å; M669-S673 PolarHBondContact O-OG 3.34Å; M669-P766 HydrophobicContact CE-CG 4.34Å; M669-P766 HydrophobicContact SD-CG 3.99Å
670	D	90.6	Very high	91.3	Very high	109 Å²	109	44.6 Å²	44.6	58%	0.583	25%	0.252	S	S	*	.	H	α-helix	trans	-68.5	-42.5	175.9	-58.1	-41.4	0	0	0	111.3	L622 S668 I672 S673 A674	L622-D670 HydrophobicContact CD2-CB 3.77Å; S668-D670 PolarHBondContact O-N 3.26Å; D670-I672 PolarHBondContact O-N 2.96Å; D670-S673 PolarHBondContact O-N 3.49Å; D670-A674 PolarHBondContact O-N 3.45Å
671	Q	94.3	Very high	91.8	Very high	28 Å²	28	44.6 Å²	44.6	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-42.5	173.5	-74.9	174.3	-41	0	0	111.9	L622 G623 P624 L625 A667 S668 S673 A674 I675	L622-Q671 HydrophobicContact CB-CG 4.39Å; G623-Q671 PolarHBondContact O-NE2 3.11Å; P624-Q671 PolarHBondContact O-NE2 2.93Å; L625-Q671 HydrophobicContact CD1-CB 4.43Å; L625-Q671 HydrophobicContact CD2-CB 4.24Å; A667-Q671 HydrophobicContact CB-CB 4.24Å; S668-Q671 PolarHBondContact O-N 3.04Å; S668-Q671 WeakPolarHBondContact OG-CG 3.09Å; S668-Q671 PolarHBondContact OG-N 3.19Å; S668-Q671 PolarHBondContact OG-OE1 3.2Å; Q671-S673 VanDerWaalsContact C-N 3.32Å; Q671-A674 PolarHBondContact O-N 3.14Å; Q671-I675 PolarHBondContact O-N 3.11Å
672	I	93.8	Very high	92.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-37	177	-63.9	166.5	0	0	0	110.7	V640 Y665 A667 S668 M669 D670 A674 I675 T676 P766 L789	V640-I672 HydrophobicContact CG1-CD1 4.37Å; V640-I672 HydrophobicContact CG1-CG1 4.31Å; Y665-I672 HydrophobicContact CD1-CD1 4Å; Y665-I672 HydrophobicContact CD2-CD1 4.16Å; Y665-I672 HydrophobicContact CG-CD1 3.64Å; A667-I672 HydrophobicContact CB-CD1 4.39Å; A667-I672 HydrophobicContact CB-CG1 4.04Å; S668-I672 WeakPolarHBondContact O-CG1 3.41Å; S668-I672 PolarHBondContact O-N 2.87Å; M669-I672 PolarHBondContact O-N 3.21Å; M669-I672 HydrophobicContact SD-CD1 4.33Å; D670-I672 PolarHBondContact O-N 2.96Å; I672-A674 VanDerWaalsContact C-N 3.34Å; I672-A674 PolarHBondContact O-N 3.41Å; I672-I675 WeakPolarHBondContact O-CB 3.16Å; I672-I675 PolarHBondContact O-N 3.23Å; I672-I675 VanDerWaalsContact O-N 3.15Å; I672-T676 HydrophobicContact CG2-CG2 4.18Å; I672-T676 PolarHBondContact O-N 3.19Å; I672-T676 PolarHBondContact O-OG1 3.47Å; I672-P766 HydrophobicContact CD1-CG 4.47Å; I672-P766 HydrophobicContact CG2-CG 3.84Å; I672-L789 HydrophobicContact CG2-CD2 3.42Å; I672-L789 VanDerWaalsContact CG2-CD2 3.42Å
673	S	92.7	Very high	92.6	Very high	25 Å²	25	38.3 Å²	38.3	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-41.2	176	-60.5	0	0	0	0	111.4	M669 D670 Q671 I675 T676 D677	M669-S673 WeakPolarHBondContact O-CB 3.33Å; M669-S673 PolarHBondContact O-N 3.27Å; M669-S673 PolarHBondContact O-OG 3.34Å; D670-S673 PolarHBondContact O-N 3.49Å; Q671-S673 VanDerWaalsContact C-N 3.32Å; S673-I675 PolarHBondContact O-N 2.99Å; S673-T676 WeakPolarHBondContact CA-OG1 3.42Å; S673-T676 PolarHBondContact O-N 3.45Å; S673-T676 PolarHBondContact O-OG1 3Å; S673-D677 VanDerWaalsContact O-CB 3.23Å; S673-D677 WeakPolarHBondContact O-CB 3.45Å; S673-D677 PolarHBondContact O-N 3.33Å
674	A	92.4	Very high	92.9	Very high	24 Å²	24	38 Å²	38	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-34.8	174.1	0	0	0	0	0	113	P616 L622 D670 Q671 I672 S678	P616-A674 HydrophobicContact CB-CB 4.01Å; P616-A674 HydrophobicContact CG-CB 4.46Å; L622-A674 HydrophobicContact CD1-CB 3.93Å; D670-A674 PolarHBondContact O-N 3.45Å; Q671-A674 PolarHBondContact O-N 3.14Å; I672-A674 VanDerWaalsContact C-N 3.34Å; I672-A674 PolarHBondContact O-N 3.41Å; A674-S678 WeakPolarHBondContact O-CB 3.29Å; A674-S678 PolarHBondContact O-N 2.83Å; A674-S678 PolarHBondContact O-OG 2.73Å
675	I	94.2	Very high	93.1	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-73.9	-48.8	174.8	-64.4	169.1	0	0	0	111.2	I614 P616 L625 V627 T638 V640 Q671 I672 S673 D677 S678 A679 C791	I614-I675 HydrophobicContact CD1-CD1 3.93Å; I614-I675 HydrophobicContact CD1-CG1 4.21Å; P616-I675 HydrophobicContact CG-CG1 4.22Å; L625-I675 HydrophobicContact CD1-CD1 3.66Å; L625-I675 HydrophobicContact CD2-CD1 4.17Å; L625-I675 HydrophobicContact CG-CD1 4.4Å; V627-I675 HydrophobicContact CG1-CD1 4.26Å; T638-I675 HydrophobicContact CG2-CD1 4.16Å; T638-I675 HydrophobicContact CG2-CG2 4.04Å; V640-I675 HydrophobicContact CG2-CD1 4.09Å; Q671-I675 PolarHBondContact O-N 3.11Å; I672-I675 WeakPolarHBondContact O-CB 3.16Å; I672-I675 PolarHBondContact O-N 3.23Å; I672-I675 VanDerWaalsContact O-N 3.15Å; S673-I675 PolarHBondContact O-N 2.99Å; I675-D677 VanDerWaalsContact C-N 3.35Å; I675-D677 PolarHBondContact O-N 3.42Å; I675-S678 PolarHBondContact O-N 3.13Å; I675-S678 PolarHBondContact O-OG 3.33Å; I675-A679 VanDerWaalsContact O-CB 3.26Å; I675-A679 WeakPolarHBondContact O-CB 3.48Å; I675-A679 PolarHBondContact O-N 3.45Å; I675-C791 HydrophobicContact CG2-CB 4.02Å
676	T	94.3	Very high	93.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-40.3	-177.5	56.3	0	0	0	0	111	I672 S673 S678 A679 K762 L789	I672-T676 HydrophobicContact CG2-CG2 4.18Å; I672-T676 PolarHBondContact O-N 3.19Å; I672-T676 PolarHBondContact O-OG1 3.47Å; S673-T676 WeakPolarHBondContact CA-OG1 3.42Å; S673-T676 PolarHBondContact O-N 3.45Å; S673-T676 PolarHBondContact O-OG1 3Å; T676-S678 PolarHBondContact O-N 2.88Å; T676-A679 PolarHBondContact O-N 2.67Å; T676-K762 WeakPolarHBondContact O-CD 3.16Å; T676-K762 WeakPolarHBondContact O-CE 3.25Å; T676-K762 PolarHBondContact O-NZ 3.23Å; T676-L789 HydrophobicContact CG2-CD2 3.8Å
677	D	91.9	Very high	93.5	Very high	86 Å²	86	33.9 Å²	33.9	46%	0.46	18%	0.178	S	C	.	.	H	α-helix	trans	-67.7	-38.5	-178.3	-63.9	-16.9	0	0	0	111.6	S673 I675 K710 K762	S673-D677 VanDerWaalsContact O-CB 3.23Å; S673-D677 WeakPolarHBondContact O-CB 3.45Å; S673-D677 PolarHBondContact O-N 3.33Å; I675-D677 VanDerWaalsContact C-N 3.35Å; I675-D677 PolarHBondContact O-N 3.42Å; D677-K710 IonicContact OD1-NZ 3.72Å; D677-K710 PolarHBondContact OD1-NZ 3.42Å; D677-K762 PolarHBondContact O-NZ 2.68Å
678	S	91.3	Very high	93.7	Very high	15 Å²	15	33 Å²	33	11%	0.105	17%	0.171	C	C	.	.	H	α-helix	trans	-77.8	-23.6	176.1	60.3	0	0	0	0	114.2	A674 I675 T676 R795 N796	A674-S678 WeakPolarHBondContact O-CB 3.29Å; A674-S678 PolarHBondContact O-N 2.83Å; A674-S678 PolarHBondContact O-OG 2.73Å; I675-S678 PolarHBondContact O-N 3.13Å; I675-S678 PolarHBondContact O-OG 3.33Å; T676-S678 PolarHBondContact O-N 2.88Å; S678-R795 WeakPolarHBondContact O-CB 3.43Å; S678-R795 WeakPolarHBondContact O-CG 3.36Å; S678-R795 PolarHBondContact O-N 2.85Å; S678-N796 WeakPolarHBondContact CB-ND2 3.41Å
679	A	94.4	Very high	93.9	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	17%	0.167	C	C	.	.			trans	-70.2	150.3	179.3	0	0	0	0	0	113.3	I675 T676 K762 C791 G793	I675-A679 VanDerWaalsContact O-CB 3.26Å; I675-A679 WeakPolarHBondContact O-CB 3.48Å; I675-A679 PolarHBondContact O-N 3.45Å; T676-A679 PolarHBondContact O-N 2.67Å; A679-K762 PolarHBondContact O-NZ 3.28Å; A679-C791 HydrophobicContact CB-CB 3.72Å; A679-G793 WeakPolarHBondContact CA-O 3.47Å
680	E	90.7	Very high	94.2	Very high	96 Å²	96	30.6 Å²	30.6	45%	0.449	15%	0.153	S	C	.	.	S	Bend	trans	-77.8	-37.5	172.7	-68.1	175.2	-169.8	0	0	111.3	Q792 R795	E680-Q792 PolarHBondContact N-O 2.81Å; E680-R795 HydrophobicContact CG-CG 3.93Å
681	Y	94	Very high	94.4	Very high	82 Å²	82	27.9 Å²	27.9	32%	0.322	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139	-178.3	174.2	-93.7	0	0	0	110.3	W637 E683 S760 C791 Q792	W637-Y681 HydrophobicContact CH2-CD1 4.17Å; W637-Y681 HydrophobicContact CH2-CE1 4.08Å; W637-Y681 HydrophobicContact CZ3-CD1 4.44Å; Y681-E683 HydrophobicContact CE1-CB 3.8Å; Y681-E683 HydrophobicContact CE1-CG 4.03Å; Y681-E683 WeakPolarHBondContact CE1-OE2 3.33Å; Y681-E683 PolarHBondContact OH-OE2 2.85Å; Y681-E683 VanDerWaalsContact OH-OE2 3.1Å; Y681-S760 WeakPolarHBondContact OH-CB 3.42Å; Y681-C791 CarbonylContact O-C 3.56Å; Y681-C791 WeakPolarHBondContact O-CA 3.43Å; Y681-Q792 HydrophobicContact CD1-CG 4Å; Y681-Q792 PolarHBondContact N-O 3.02Å; Y681-Q792 PolarHBondContact O-N 3.11Å
682	C	96.9	Very high	94.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.4	173.3	-65	0	0	0	0	110.5	S760 K762 L765 L789 R790 C791	C682-S760 CarbonylContact O-C 3.48Å; C682-S760 WeakPolarHBondContact O-CA 3.44Å; C682-K762 HydrophobicContact CB-CG 4.11Å; C682-L765 HydrophobicContact CB-CD1 4.13Å; C682-L789 HydrophobicContact CB-CD1 4.42Å; C682-R790 CarbonylContact C-O 3.52Å; C682-R790 VanDerWaalsContact CA-O 3.28Å; C682-R790 WeakPolarHBondContact CA-O 3.33Å; C682-C791 HydrophobicContact CB-CB 4.17Å; C682-C791 WeakPolarHBondContact CB-SG 3.15Å; C682-C791 WeakPolarHBondContact SG-CB 3.36Å; C682-C791 CovalentContact SG-SG 2.05Å; C682-C791 PolarHBondContact SG-SG 2.82Å
683	E	97	Very high	94.3	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.093	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.7	175	67.4	-178.7	-156.2	0	0	112.1	W637 Y681 F758 L759 R790	W637-E683 HydrophobicContact CH2-CG 4.09Å; W637-E683 HydrophobicContact CZ3-CG 3.95Å; Y681-E683 HydrophobicContact CE1-CB 3.8Å; Y681-E683 HydrophobicContact CE1-CG 4.03Å; Y681-E683 WeakPolarHBondContact CE1-OE2 3.33Å; Y681-E683 PolarHBondContact OH-OE2 2.85Å; Y681-E683 VanDerWaalsContact OH-OE2 3.1Å; E683-F758 HydrophobicContact CB-CB 4.45Å; E683-F758 HydrophobicContact CB-CD1 3.91Å; E683-F758 HydrophobicContact CB-CG 4.48Å; E683-F758 HydrophobicContact CG-CD1 3.89Å; E683-F758 HydrophobicContact CG-CE1 4.14Å; E683-F758 WeakPolarHBondContact OE1-CE1 3.44Å; E683-L759 CarbonylContact C-O 3.48Å; E683-L759 VanDerWaalsContact CA-O 3.23Å; E683-L759 WeakPolarHBondContact CA-O 3.32Å; E683-R790 HydrophobicContact CG-CB 4.1Å; E683-R790 PolarHBondContact N-O 3Å; E683-R790 PolarHBondContact O-N 3.32Å; E683-R790 IonicContact OE1-CZ 2.8Å; E683-R790 IonicContact OE1-NH1 2.76Å; E683-R790 PolarHBondContact OE1-NH1 3.28Å
684	Q	96.4	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	126.4	173.3	-165.5	165.1	22.1	0	0	110.4	Y665 F758 L759 L765 V786 G787	Y665-Q684 PolarHBondContact OH-NE2 3.02Å; Q684-F758 WeakPolarHBondContact O-CA 3.26Å; Q684-L759 PolarHBondContact N-O 3.45Å; Q684-L759 PolarHBondContact O-N 2.72Å; Q684-L765 HydrophobicContact CB-CD1 4.41Å; Q684-L765 HydrophobicContact CB-CD2 3.8Å; Q684-V786 HydrophobicContact CG-CG1 4.17Å; Q684-G787 VanDerWaalsContact CG-O 3.29Å; Q684-G787 WeakPolarHBondContact CG-O 3.38Å; Q684-G787 PolarHBondContact NE2-O 2.83Å
685	Y	96.5	Very high	94.3	Very high	76 Å²	76	28.4 Å²	28.4	30%	0.298	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.3	-178.9	-177.7	-94.3	0	0	0	110.8	K754 A756 F758 V786 G787	Y685-K754 PolarHBondContact OH-NZ 2.72Å; Y685-K754 VanDerWaalsContact OH-NZ 3.08Å; Y685-A756 HydrophobicContact CE2-CB 4.32Å; Y685-A756 VanDerWaalsContact OH-CB 3.26Å; Y685-A756 WeakPolarHBondContact OH-CB 3.38Å; Y685-F758 HydrophobicContact CD2-CD1 4.49Å; Y685-F758 HydrophobicContact CD2-CD2 4.36Å; Y685-F758 HydrophobicContact CD2-CE1 4.28Å; Y685-F758 HydrophobicContact CD2-CE2 4.12Å; Y685-F758 HydrophobicContact CD2-CZ 4.09Å; Y685-F758 HydrophobicContact CG-CE1 4.47Å; Y685-V786 CarbonylContact O-C 3.24Å; Y685-V786 WeakPolarHBondContact O-CA 3.49Å; Y685-G787 PolarHBondContact O-N 3Å
686	V	95.6	Very high	94.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.7	173.1	-62.3	0	0	0	0	110.7	W718 A756 G757 L759 V767 S785 V786	V686-W718 HydrophobicContact CB-CH2 4.37Å; V686-W718 HydrophobicContact CB-CZ2 4.03Å; V686-W718 HydrophobicContact CG2-CD2 4.14Å; V686-W718 HydrophobicContact CG2-CZ2 4.09Å; V686-A756 WeakPolarHBondContact O-CA 3.34Å; V686-A756 WeakPolarHBondContact O-CB 3.42Å; V686-G757 PolarHBondContact N-O 2.77Å; V686-G757 PolarHBondContact O-N 3.49Å; V686-L759 HydrophobicContact CG1-CD1 3.61Å; V686-L759 HydrophobicContact CG1-CG 4.15Å; V686-L759 HydrophobicContact CG2-CD1 4.07Å; V686-L759 HydrophobicContact CG2-CD2 4.21Å; V686-L759 HydrophobicContact CG2-CG 3.85Å; V686-V767 HydrophobicContact CG1-CG2 4.13Å; V686-S785 CarbonylContact C-O 3.55Å; V686-S785 WeakPolarHBondContact CA-O 3.37Å; V686-V786 HydrophobicContact CG1-CG1 4.27Å; V686-V786 HydrophobicContact CG1-CG2 4.36Å
687	S	95.6	Very high	94.2	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.8	-179.8	176.7	0	0	0	0	110.9	K754 S785	S687-K754 WeakPolarHBondContact OG-CE 3.36Å; S687-S785 PolarHBondContact N-O 2.8Å; S687-S785 PolarHBondContact O-N 3.49Å
688	Y	95.1	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114	172	-169.1	-106.8	0	0	0	108.6	C690 S693 L695 T705 C745 K754 D755 V772 A782 L784	Y688-C690 HydrophobicContact CD1-CB 3.78Å; Y688-C690 HydrophobicContact CE1-CB 3.48Å; Y688-C690 VanDerWaalsContact CE1-CB 3.48Å; Y688-S693 PolarHBondContact OH-OG 3.32Å; Y688-L695 HydrophobicContact CD1-CB 4.13Å; Y688-L695 HydrophobicContact CD1-CD1 3.63Å; Y688-L695 HydrophobicContact CD1-CG 4.37Å; Y688-L695 HydrophobicContact CD2-CD1 3.8Å; Y688-L695 HydrophobicContact CE1-CB 4.18Å; Y688-L695 HydrophobicContact CE1-CD1 4.03Å; Y688-L695 HydrophobicContact CE2-CD1 4.2Å; Y688-L695 HydrophobicContact CG-CD1 3.52Å; Y688-T705 HydrophobicContact CE2-CG2 4.39Å; Y688-C745 HydrophobicContact CD1-CB 4.07Å; Y688-C745 HydrophobicContact CE1-CB 4.19Å; Y688-K754 WeakPolarHBondContact O-CA 3.46Å; Y688-D755 PolarHBondContact N-O 2.84Å; Y688-D755 PolarHBondContact O-N 2.98Å; Y688-V772 HydrophobicContact CE2-CG1 4.12Å; Y688-V772 HydrophobicContact CE2-CG2 4.18Å; Y688-A782 HydrophobicContact CE1-CB 4.47Å; Y688-A782 HydrophobicContact CE2-CB 3.72Å; Y688-A782 WeakPolarHBondContact OH-CB 3.26Å; Y688-L784 HydrophobicContact CD2-CD2 3.66Å; Y688-L784 HydrophobicContact CD2-CG 4.5Å; Y688-L784 HydrophobicContact CE2-CD2 4.35Å
689	F	95.3	Very high	93.5	Very high	59 Å²	59	28 Å²	28	26%	0.259	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.4	177.5	-165.9	-127.7	0	0	0	108.6	W752 R753 K754 A782 K783	F689-W752 HydrophobicContact CD1-CD2 4.05Å; F689-W752 AromaticContact CD1-CE3 3.39Å; F689-W752 HydrophobicContact CD1-CE3 3.39Å; F689-W752 AromaticContact CD1-CZ3 3.76Å; F689-W752 HydrophobicContact CD1-CZ3 3.76Å; F689-W752 HydrophobicContact CD2-CE3 4.4Å; F689-W752 HydrophobicContact CE1-CB 4.02Å; F689-W752 AromaticContact CE1-CD2 3.62Å; F689-W752 HydrophobicContact CE1-CD2 3.62Å; F689-W752 AromaticContact CE1-CE3 3.46Å; F689-W752 HydrophobicContact CE1-CE3 3.46Å; F689-W752 VanDerWaalsContact CE1-CE3 3.46Å; F689-W752 AromaticContact CE1-CG 3.88Å; F689-W752 HydrophobicContact CE1-CG 3.88Å; F689-W752 HydrophobicContact CE1-CZ3 4.18Å; F689-W752 HydrophobicContact CE2-CB 3.87Å; F689-W752 HydrophobicContact CE2-CE3 4.46Å; F689-W752 AromaticContact CG-CE3 3.91Å; F689-W752 HydrophobicContact CG-CE3 3.91Å; F689-W752 HydrophobicContact CG-CZ3 4.34Å; F689-W752 HydrophobicContact CZ-CB 3.46Å; F689-W752 VanDerWaalsContact CZ-CB 3.46Å; F689-W752 HydrophobicContact CZ-CD2 4.04Å; F689-W752 HydrophobicContact CZ-CE3 4.04Å; F689-W752 AromaticContact CZ-CG 3.84Å; F689-W752 HydrophobicContact CZ-CG 3.84Å; F689-R753 WeakPolarHBondContact CA-O 3.32Å; F689-R753 WeakPolarHBondContact CD2-O 3.11Å; F689-K754 HydrophobicContact CD2-CB 3.82Å; F689-K754 HydrophobicContact CD2-CG 4.15Å; F689-K754 HydrophobicContact CE2-CB 4.29Å; F689-A782 CarbonylContact O-C 3.56Å; F689-A782 VanDerWaalsContact O-CA 3.29Å; F689-A782 WeakPolarHBondContact O-CA 3.4Å; F689-K783 HydrophobicContact CB-CB 4.31Å; F689-K783 HydrophobicContact CD1-CD 4.45Å; F689-K783 PolarHBondContact N-O 3.31Å; F689-K783 PolarHBondContact O-N 3.03Å
690	C	94.4	Very high	92.7	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.2	-161.1	65.6	0	0	0	0	112	Y688 S693 C745 W752 R753	Y688-C690 HydrophobicContact CD1-CB 3.78Å; Y688-C690 HydrophobicContact CE1-CB 3.48Å; Y688-C690 VanDerWaalsContact CE1-CB 3.48Å; C690-S693 WeakPolarHBondContact CB-O 3.12Å; C690-C745 HydrophobicContact CB-CB 3.83Å; C690-C745 WeakPolarHBondContact CB-SG 3.28Å; C690-C745 WeakPolarHBondContact SG-CA 3.36Å; C690-C745 WeakPolarHBondContact SG-CB 3.4Å; C690-C745 CovalentContact SG-SG 2.02Å; C690-C745 PolarHBondContact SG-SG 3.3Å; C690-W752 VanDerWaalsContact C-CE3 3.46Å; C690-W752 CarbonylContact O-C 3.54Å; C690-W752 VanDerWaalsContact O-CA 3.3Å; C690-W752 WeakPolarHBondContact O-CA 3.43Å; C690-W752 VanDerWaalsContact O-CE3 3.31Å; C690-R753 PolarHBondContact N-O 3.12Å; C690-R753 PolarHBondContact O-N 2.97Å; C690-R753 PolarHBondContact SG-O 2.85Å
691	K	94.6	Very high	92.3	Very high	53 Å²	53	32 Å²	32	23%	0.23	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	118.3	169.9	173.7	-179.1	165.1	-152.8	0	106.9	S693 K750 W752 S780 E781	K691-S693 PolarHBondContact O-N 2.82Å; K691-S693 VanDerWaalsContact O-N 3.12Å; K691-K750 WeakPolarHBondContact CG-O 3.37Å; K691-W752 HydrophobicContact CB-CD2 3.91Å; K691-W752 HydrophobicContact CB-CE3 3.89Å; K691-W752 HydrophobicContact CB-CH2 4.15Å; K691-W752 HydrophobicContact CB-CZ2 4.18Å; K691-W752 HydrophobicContact CB-CZ3 4.01Å; K691-W752 HydrophobicContact CD-CD2 4.49Å; K691-W752 HydrophobicContact CD-CZ2 4.12Å; K691-S780 CarbonylContact O-C 3.51Å; K691-S780 VanDerWaalsContact O-CA 3.27Å; K691-S780 WeakPolarHBondContact O-CA 3.34Å; K691-E781 HydrophobicContact CB-CB 4.41Å; K691-E781 PolarHBondContact N-O 2.92Å; K691-E781 IonicContact NZ-OE1 2.66Å; K691-E781 PolarHBondContact NZ-OE1 3.44Å; K691-E781 PolarHBondContact O-N 3.35Å
692	M	93.4	Very high	91.9	Very high	39 Å²	39	32.8 Å²	32.8	19%	0.192	18%	0.177	C	C	.	.	S	Bend	trans	47.2	36.4	-172.4	-61.3	173.4	59.4	0	0	113.7	D748 Y749 K750 R777 Q778 S780	M692-D748 WeakPolarHBondContact CA-OD1 3.5Å; M692-Y749 PolarHBondContact N-O 3.03Å; M692-K750 HydrophobicContact CG-CG 4.07Å; M692-K750 HydrophobicContact SD-CG 3.71Å; M692-R777 PolarHBondContact O-NH2 3.13Å; M692-Q778 WeakPolarHBondContact CE-O 3.03Å; M692-S780 WeakPolarHBondContact O-CB 3.4Å; M692-S780 PolarHBondContact O-OG 3.34Å
693	S	92.6	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.			trans	-136.9	118.9	-177.9	-161.4	0	0	0	0	109	Y688 C690 K691 D774 S780	Y688-S693 PolarHBondContact OH-OG 3.32Å; C690-S693 WeakPolarHBondContact CB-O 3.12Å; K691-S693 PolarHBondContact O-N 2.82Å; K691-S693 VanDerWaalsContact O-N 3.12Å; S693-D774 PolarHBondContact OG-O 2.85Å; S693-S780 VanDerWaalsContact CB-OG 3.23Å; S693-S780 WeakPolarHBondContact CB-OG 3.23Å; S693-S780 PolarHBondContact OG-OG 3.31Å
694	R	92.3	Very high	91.3	Very high	49 Å²	49	36 Å²	36	19%	0.185	19%	0.192	C	C	.	.			trans	-89	149.7	-175	-64.4	165	-70.5	170.9	0.6	110.6	Y704 D748 D774	R694-Y704 HydrophobicContact CB-CD2 3.9Å; R694-Y704 HydrophobicContact CB-CE2 4.35Å; R694-Y704 PolarHBondContact NH2-OH 2.74Å; R694-Y704 VanDerWaalsContact NH2-OH 3.08Å; R694-D748 HydrophobicContact CG-CB 4.11Å; R694-D774 WeakPolarHBondContact CB-OD2 3.05Å; R694-D774 IonicContact CZ-OD1 2.68Å; R694-D774 IonicContact CZ-OD2 2.73Å; R694-D774 PolarHBondContact N-OD2 3.19Å; R694-D774 IonicContact NE-OD1 3.1Å; R694-D774 IonicContact NE-OD2 3.39Å; R694-D774 PolarHBondContact NE-OD2 2.72Å; R694-D774 IonicContact NH2-OD1 3.98Å; R694-D774 PolarHBondContact NH2-OD1 2.89Å; R694-D774 VanDerWaalsContact NH2-OD1 3.1Å; R694-D774 IonicContact NH2-OD2 3.38Å; R694-D774 PolarHBondContact NH2-OD2 3.45Å
695	L	94.3	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-101.4	-74.8	-175.4	-177.2	78.5	0	0	0	110.6	Y688 Y704 T705 W718 C728 C745 D746 D755	Y688-L695 HydrophobicContact CD1-CB 4.13Å; Y688-L695 HydrophobicContact CD1-CD1 3.63Å; Y688-L695 HydrophobicContact CD1-CG 4.37Å; Y688-L695 HydrophobicContact CD2-CD1 3.8Å; Y688-L695 HydrophobicContact CE1-CB 4.18Å; Y688-L695 HydrophobicContact CE1-CD1 4.03Å; Y688-L695 HydrophobicContact CE2-CD1 4.2Å; Y688-L695 HydrophobicContact CG-CD1 3.52Å; L695-Y704 PolarHBondContact O-N 3Å; L695-T705 HydrophobicContact CD1-CG2 3.5Å; L695-T705 PolarHBondContact O-N 2.69Å; L695-W718 HydrophobicContact CD1-CD2 4.29Å; L695-W718 HydrophobicContact CD1-CE3 4.48Å; L695-W718 HydrophobicContact CD2-CB 4.05Å; L695-W718 HydrophobicContact CD2-CD2 4.13Å; L695-W718 HydrophobicContact CD2-CG 3.73Å; L695-C728 VanDerWaalsContact CD2-SG 3.54Å; L695-C745 HydrophobicContact CB-CB 4.23Å; L695-D746 PolarHBondContact N-OD1 2.96Å; L695-D755 HydrophobicContact CD2-CB 4.26Å
696	L	93.5	Very high	90.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	-100.2	-8.3	-176.2	-61.4	-174.2	0	0	0	112.8	T698 P703 Y716 Q726 D746	L696-T698 VanDerWaalsContact C-N 3.32Å; L696-T698 HydrophobicContact CB-CG2 3.86Å; L696-T698 PolarHBondContact O-N 2.91Å; L696-P703 HydrophobicContact CD2-CB 4.28Å; L696-P703 WeakPolarHBondContact O-CA 3.17Å; L696-Y716 WeakPolarHBondContact CD2-O 3.3Å; L696-Q726 HydrophobicContact CB-CG 4.3Å; L696-Q726 HydrophobicContact CD1-CG 4.15Å; L696-Q726 PolarHBondContact O-NE2 3.17Å; L696-D746 PolarHBondContact N-OD1 2.81Å
697	N	91.8	Very high	90.7	Very high	33 Å²	33	33.3 Å²	33.3	18%	0.176	18%	0.182	C	C	.	.			trans	59.1	38.1	177.9	-159.7	25.8	0	0	0	113.7	G701 S702 Y704 D746	N697-G701 WeakPolarHBondContact ND2-CA 3.41Å; N697-G701 WeakPolarHBondContact O-CA 3.47Å; N697-G701 PolarHBondContact O-N 2.98Å; N697-S702 WeakPolarHBondContact CB-O 3.15Å; N697-S702 PolarHBondContact ND2-O 2.94Å; N697-Y704 HydrophobicContact CB-CD2 3.8Å; N697-Y704 HydrophobicContact CB-CE2 3.91Å; N697-Y704 VanDerWaalsContact CG-CE2 3.44Å; N697-Y704 VanDerWaalsContact ND2-CE2 3.33Å; N697-Y704 WeakPolarHBondContact ND2-CE2 3.49Å; N697-D746 PolarHBondContact N-OD1 2.87Å; N697-D746 PolarHBondContact N-OD2 3.42Å
698	T	87.7	Confident	90.5	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.037	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	156.1	-177	57.5	0	0	0	0	112.7	L696 Q726 Y741 Y742 D746	L696-T698 VanDerWaalsContact C-N 3.32Å; L696-T698 HydrophobicContact CB-CG2 3.86Å; L696-T698 PolarHBondContact O-N 2.91Å; T698-Q726 HydrophobicContact CG2-CG 4.45Å; T698-Q726 VanDerWaalsContact CG2-O 3.3Å; T698-Q726 WeakPolarHBondContact CG2-O 3.06Å; T698-Y741 VanDerWaalsContact O-CD1 3.32Å; T698-Y741 WeakPolarHBondContact O-CD1 3.22Å; T698-Y742 HydrophobicContact CG2-CD2 3.9Å; T698-Y742 HydrophobicContact CG2-CG 4.42Å; T698-Y742 PolarHBondContact OG1-N 2.96Å; T698-D746 WeakPolarHBondContact CB-OD2 3.41Å; T698-D746 PolarHBondContact N-OD2 3.11Å; T698-D746 PolarHBondContact OG1-OD2 2.91Å
699	P	81.6	Confident	90.2	Very high	60 Å²	60	33.2 Å²	33.2	39%	0.39	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-24.6	-1.2	31.9	-34.3	0	0	0	115.5	Y742	P699-Y742 HydrophobicContact CB-CD2 4.38Å; P699-Y742 HydrophobicContact CB-CE2 3.73Å
700	D	77.3	Confident	89.7	Confident	161 Å²	161	32.7 Å²	32.7	86%	0.861	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	10.2	-165.1	-60.4	-47.3	0	0	0	115.1
701	G	81.7	Confident	89.1	Confident	22 Å²	22	35.6 Å²	35.6	23%	0.227	20%	0.203	C	C	.	.	S	Bend	trans	-109	156.1	-174.6	0	0	0	0	0	115	N697 Q726	N697-G701 WeakPolarHBondContact ND2-CA 3.41Å; N697-G701 WeakPolarHBondContact O-CA 3.47Å; N697-G701 PolarHBondContact O-N 2.98Å; G701-Q726 PolarHBondContact O-NE2 2.9Å
702	S	87.2	Confident	88.4	Confident	98 Å²	98	39 Å²	39	69%	0.685	22%	0.223	S	C	*	.			trans	-68.7	139.4	169.9	-57.2	0	0	0	0	110.9	N697 Y704	N697-S702 WeakPolarHBondContact CB-O 3.15Å; N697-S702 PolarHBondContact ND2-O 2.94Å; S702-Y704 PolarHBondContact O-N 2.82Å
703	P	90	Very high	88	Confident	27 Å²	27	40.5 Å²	40.5	18%	0.175	23%	0.23	C	C	.	.			trans	-57.7	134.6	177.7	-26.3	34.6	0	0	0	113.2	L696 Y716	L696-P703 HydrophobicContact CD2-CB 4.28Å; L696-P703 WeakPolarHBondContact O-CA 3.17Å; P703-Y716 HydrophobicContact CB-CD1 3.72Å; P703-Y716 HydrophobicContact CB-CE1 4.29Å; P703-Y716 HydrophobicContact CG-CD1 3.61Å; P703-Y716 HydrophobicContact CG-CE1 4.32Å; P703-Y716 HydrophobicContact CG-CG 4.17Å
704	Y	89.5	Confident	87.8	Confident	60 Å²	60	46.4 Å²	46.4	24%	0.235	26%	0.255	C	S	.	.	S	Bend	trans	-88.4	-22	171.9	-75.9	-72.4	0	0	0	112.8	R694 L695 N697 S702 G773 D774	R694-Y704 HydrophobicContact CB-CD2 3.9Å; R694-Y704 HydrophobicContact CB-CE2 4.35Å; R694-Y704 PolarHBondContact NH2-OH 2.74Å; R694-Y704 VanDerWaalsContact NH2-OH 3.08Å; L695-Y704 PolarHBondContact O-N 3Å; N697-Y704 HydrophobicContact CB-CD2 3.8Å; N697-Y704 HydrophobicContact CB-CE2 3.91Å; N697-Y704 VanDerWaalsContact CG-CE2 3.44Å; N697-Y704 VanDerWaalsContact ND2-CE2 3.33Å; N697-Y704 WeakPolarHBondContact ND2-CE2 3.49Å; S702-Y704 PolarHBondContact O-N 2.82Å; Y704-G773 PolarHBondContact O-N 2.91Å; Y704-D774 HydrophobicContact CD1-CB 3.93Å; Y704-D774 HydrophobicContact CD2-CB 4.15Å; Y704-D774 HydrophobicContact CG-CB 3.74Å
705	T	91	Very high	87.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	-178.5	-59.2	0	0	0	0	109.6	Y688 L695 W718 V770 V771 V772	Y688-T705 HydrophobicContact CE2-CG2 4.39Å; L695-T705 HydrophobicContact CD1-CG2 3.5Å; L695-T705 PolarHBondContact O-N 2.69Å; T705-W718 HydrophobicContact CG2-CZ3 4.29Å; T705-V770 HydrophobicContact CG2-CG1 4.35Å; T705-V771 WeakPolarHBondContact CA-O 3.4Å; T705-V771 WeakPolarHBondContact CG2-O 3.46Å; T705-V772 HydrophobicContact CG2-CG2 3.99Å
706	W	91.9	Very high	87.6	Confident	19 Å²	19	49.5 Å²	49.5	7%	0.072	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	165.3	171.8	62.8	89.3	0	0	0	108.8	Y658 H715 Y716 V771	Y658-W706 AromaticContact CD1-CH2 3.64Å; Y658-W706 HydrophobicContact CD1-CH2 3.64Å; Y658-W706 HydrophobicContact CD1-CZ3 4.03Å; Y658-W706 HydrophobicContact CD2-CH2 4.06Å; Y658-W706 AromaticContact CE1-CH2 3.46Å; Y658-W706 HydrophobicContact CE1-CH2 3.46Å; Y658-W706 VanDerWaalsContact CE1-CH2 3.46Å; Y658-W706 AromaticContact CE1-CZ3 3.7Å; Y658-W706 HydrophobicContact CE1-CZ3 3.7Å; Y658-W706 AromaticContact CE2-CH2 3.89Å; Y658-W706 HydrophobicContact CE2-CH2 3.89Å; Y658-W706 AromaticContact CG-CH2 3.95Å; Y658-W706 HydrophobicContact CG-CH2 3.95Å; Y658-W706 AromaticContact CZ-CH2 3.59Å; W706-H715 VanDerWaalsContact CB-O 3.26Å; W706-H715 WeakPolarHBondContact CB-O 3.25Å; W706-Y716 HydrophobicContact CB-CD1 3.72Å; W706-Y716 HydrophobicContact CB-CE1 3.79Å; W706-Y716 HydrophobicContact CD2-CE1 4.08Å; W706-Y716 HydrophobicContact CE3-CE1 4.1Å; W706-Y716 HydrophobicContact CG-CD1 4.41Å; W706-Y716 AromaticContact CG-CE1 3.97Å; W706-Y716 HydrophobicContact CG-CE1 3.97Å; W706-V771 HydrophobicContact CD2-CB 4.06Å; W706-V771 HydrophobicContact CD2-CG1 4.37Å; W706-V771 HydrophobicContact CG-CB 4.4Å; W706-V771 HydrophobicContact CH2-CG1 3.82Å; W706-V771 HydrophobicContact CZ2-CB 3.89Å; W706-V771 HydrophobicContact CZ2-CG1 3.43Å; W706-V771 VanDerWaalsContact CZ2-CG1 3.43Å; W706-V771 HydrophobicContact CZ2-CG2 4.31Å; W706-V771 HydrophobicContact CZ3-CG1 4.42Å; W706-V771 PolarHBondContact N-O 3.24Å; W706-V771 VanDerWaalsContact N-O 3.09Å; W706-V771 PolarHBondContact O-N 2.81Å
707	W	94	Very high	87.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	162.1	174.2	63.6	-82.2	0	0	0	110.3	H715 Y717 W718 L759 H764 L765 V767 Q769 V770	W707-H715 HydrophobicContact CD2-CB 3.9Å; W707-H715 AromaticContact CD2-CD2 3.89Å; W707-H715 AromaticContact CE2-CD2 3.81Å; W707-H715 AromaticContact CE2-CG 3.86Å; W707-H715 AromaticContact CE3-CD2 3.67Å; W707-H715 HydrophobicContact CG-CB 4.28Å; W707-H715 HydrophobicContact CH2-CB 4.4Å; W707-H715 AromaticContact CH2-CD2 3.38Å; W707-H715 WeakPolarHBondContact CH2-CD2 3.1Å; W707-H715 AromaticContact CH2-CG 3.98Å; W707-H715 AromaticContact CH2-NE2 3.94Å; W707-H715 HydrophobicContact CZ2-CB 3.68Å; W707-H715 AromaticContact CZ2-CD2 3.57Å; W707-H715 AromaticContact CZ2-CG 3.71Å; W707-H715 AromaticContact CZ3-CD2 3.42Å; W707-H715 VanDerWaalsContact CZ3-CD2 3.42Å; W707-H715 WeakPolarHBondContact CZ3-CD2 3.42Å; W707-H715 PolarHBondContact N-O 3.34Å; W707-H715 PolarHBondContact O-N 3.46Å; W707-Y717 AromaticContact CZ2-CE1 3.88Å; W707-Y717 HydrophobicContact CZ2-CE1 3.88Å; W707-Y717 HydrophobicContact CZ2-CE2 4.02Å; W707-Y717 AromaticContact CZ2-CZ 3.5Å; W707-Y717 VanDerWaalsContact CZ2-CZ 3.5Å; W707-Y717 WeakPolarHBondContact CZ2-OH 3.17Å; W707-Y717 PolarHBondContact NE1-O 2.96Å; W707-W718 HydrophobicContact CB-CZ3 4.38Å; W707-L759 HydrophobicContact CD2-CD1 3.91Å; W707-L759 HydrophobicContact CE3-CD1 4.25Å; W707-L759 HydrophobicContact CG-CD1 4.46Å; W707-L759 HydrophobicContact CH2-CD1 4Å; W707-L759 HydrophobicContact CZ2-CD1 3.66Å; W707-L759 HydrophobicContact CZ2-CD2 3.88Å; W707-L759 HydrophobicContact CZ2-CG 4.25Å; W707-L759 HydrophobicContact CZ3-CD1 4.29Å; W707-H764 HydrophobicContact CH2-CB 3.6Å; W707-H764 HydrophobicContact CZ2-CB 4.49Å; W707-H764 HydrophobicContact CZ3-CB 4.27Å; W707-L765 HydrophobicContact CH2-CD2 4.41Å; W707-V767 HydrophobicContact CB-CG1 4.25Å; W707-V767 HydrophobicContact CD2-CG2 4.26Å; W707-V767 HydrophobicContact CE3-CB 4.29Å; W707-V767 HydrophobicContact CE3-CG1 4.33Å; W707-V767 HydrophobicContact CE3-CG2 3.72Å; W707-V767 HydrophobicContact CZ3-CG2 4.05Å; W707-Q769 CarbonylContact C-O 3.53Å; W707-Q769 WeakPolarHBondContact CA-O 3.46Å; W707-V770 HydrophobicContact CB-CG2 4.3Å
708	V	90.8	Very high	87.8	Confident	8 Å²	8	48.3 Å²	48.3	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.5	-178.9	-176.5	0	0	0	0	108.7	N712 E713 S768 Q769	V708-N712 HydrophobicContact CG1-CB 4.48Å; V708-E713 VanDerWaalsContact CA-O 3.25Å; V708-E713 WeakPolarHBondContact CA-O 3.46Å; V708-E713 WeakPolarHBondContact CG1-O 3.42Å; V708-S768 PolarHBondContact O-N 2.73Å; V708-S768 PolarHBondContact O-OG 2.86Å; V708-Q769 HydrophobicContact CB-CB 3.96Å; V708-Q769 HydrophobicContact CB-CG 4.48Å; V708-Q769 HydrophobicContact CG2-CB 4.08Å; V708-Q769 PolarHBondContact N-O 3.11Å; V708-Q769 PolarHBondContact O-N 2.79Å
709	G	89.2	Confident	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-87.5	-164.6	-177.6	0	0	0	0	0	114.6	A711 N712 E713 H764 P766 S768	G709-A711 VanDerWaalsContact C-N 3.32Å; G709-A711 PolarHBondContact O-N 2.96Å; G709-N712 PolarHBondContact O-N 3.43Å; G709-E713 PolarHBondContact N-O 2.81Å; G709-E713 VanDerWaalsContact N-O 3.16Å; G709-H764 CarbonylContact C-O 3.51Å; G709-H764 WeakPolarHBondContact CA-O 3.34Å; G709-P766 CarbonylContact C-O 3.59Å; G709-P766 WeakPolarHBondContact CA-O 3.36Å; G709-S768 PolarHBondContact O-OG 2.97Å
710	K	85.6	Confident	88.2	Confident	47 Å²	47	46.6 Å²	46.6	20%	0.204	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-35.9	179.1	76.4	175.4	-176.6	-171.8	0	113.1	D677 N712 D763 H764 L765 P766	D677-K710 IonicContact OD1-NZ 3.72Å; D677-K710 PolarHBondContact OD1-NZ 3.42Å; K710-N712 VanDerWaalsContact C-N 3.29Å; K710-N712 PolarHBondContact O-N 3.09Å; K710-D763 WeakPolarHBondContact CE-O 3.14Å; K710-H764 PolarHBondContact N-O 2.59Å; K710-L765 WeakPolarHBondContact CD-O 3.42Å; K710-P766 PolarHBondContact N-O 2.94Å
711	A	81.1	Confident	88.9	Confident	64 Å²	64	39.1 Å²	39.1	53%	0.529	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	16.1	-177.2	0	0	0	0	0	114	G709 E713	G709-A711 VanDerWaalsContact C-N 3.32Å; G709-A711 PolarHBondContact O-N 2.96Å; A711-E713 PolarHBondContact O-N 2.85Å
712	N	80.4	Confident	89.3	Confident	125 Å²	125	38.5 Å²	38.5	67%	0.668	21%	0.21	S	C	*	.	S	Bend	trans	58.3	23.2	-173.1	-74.8	-31.4	0	0	0	114.7	V708 G709 K710	V708-N712 HydrophobicContact CG1-CB 4.48Å; G709-N712 PolarHBondContact O-N 3.43Å; K710-N712 VanDerWaalsContact C-N 3.29Å; K710-N712 PolarHBondContact O-N 3.09Å
713	E	84.5	Confident	89.5	Confident	70 Å²	70	35.8 Å²	35.8	33%	0.327	19%	0.19	S	C	.	.			trans	-91.1	150	179.6	73.2	-152.3	160	0	0	111.5	V708 G709 A711 H715 H764	V708-E713 VanDerWaalsContact CA-O 3.25Å; V708-E713 WeakPolarHBondContact CA-O 3.46Å; V708-E713 WeakPolarHBondContact CG1-O 3.42Å; G709-E713 PolarHBondContact N-O 2.81Å; G709-E713 VanDerWaalsContact N-O 3.16Å; A711-E713 PolarHBondContact O-N 2.85Å; E713-H715 WeakPolarHBondContact CG-CE1 3.13Å; E713-H715 WeakPolarHBondContact CG-NE2 3.43Å; E713-H715 IonicContact OE1-CE1 3.66Å; E713-H715 PolarHBondContact OE1-CE1 3.21Å; E713-H715 IonicContact OE1-NE2 3.22Å; E713-H715 PolarHBondContact OE1-NE2 2.95Å; E713-H764 IonicContact OE1-CD2 2.84Å; E713-H764 PolarHBondContact OE1-CD2 3.25Å; E713-H764 IonicContact OE1-CG 3.54Å
714	K	88.5	Confident	89.1	Confident	124 Å²	124	38.7 Å²	38.7	54%	0.539	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.1	-175.5	-61.6	178.8	-175	177	0	110.7	Y716	K714-Y716 HydrophobicContact CB-CE2 4.29Å
715	H	92.3	Very high	89.1	Confident	15 Å²	15	36.3 Å²	36.3	7%	0.069	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.7	179.8	-59.3	-64.3	0	0	0	112.5	W706 W707 E713 Y717 H764	W706-H715 VanDerWaalsContact CB-O 3.26Å; W706-H715 WeakPolarHBondContact CB-O 3.25Å; W707-H715 HydrophobicContact CD2-CB 3.9Å; W707-H715 AromaticContact CD2-CD2 3.89Å; W707-H715 AromaticContact CE2-CD2 3.81Å; W707-H715 AromaticContact CE2-CG 3.86Å; W707-H715 AromaticContact CE3-CD2 3.67Å; W707-H715 HydrophobicContact CG-CB 4.28Å; W707-H715 HydrophobicContact CH2-CB 4.4Å; W707-H715 AromaticContact CH2-CD2 3.38Å; W707-H715 WeakPolarHBondContact CH2-CD2 3.1Å; W707-H715 AromaticContact CH2-CG 3.98Å; W707-H715 AromaticContact CH2-NE2 3.94Å; W707-H715 HydrophobicContact CZ2-CB 3.68Å; W707-H715 AromaticContact CZ2-CD2 3.57Å; W707-H715 AromaticContact CZ2-CG 3.71Å; W707-H715 AromaticContact CZ3-CD2 3.42Å; W707-H715 VanDerWaalsContact CZ3-CD2 3.42Å; W707-H715 WeakPolarHBondContact CZ3-CD2 3.42Å; W707-H715 PolarHBondContact N-O 3.34Å; W707-H715 PolarHBondContact O-N 3.46Å; E713-H715 WeakPolarHBondContact CG-CE1 3.13Å; E713-H715 WeakPolarHBondContact CG-NE2 3.43Å; E713-H715 IonicContact OE1-CE1 3.66Å; E713-H715 PolarHBondContact OE1-CE1 3.21Å; E713-H715 IonicContact OE1-NE2 3.22Å; E713-H715 PolarHBondContact OE1-NE2 2.95Å; H715-Y717 HydrophobicContact CB-CD1 4.01Å; H715-Y717 HydrophobicContact CB-CE1 3.8Å; H715-Y717 AromaticContact CG-CE1 3.98Å; H715-Y717 AromaticContact ND1-CE1 3.95Å; H715-H764 AromaticContact CE1-CD2 3.24Å; H715-H764 PolarHBondContact CE1-CD2 2.76Å; H715-H764 AromaticContact CE1-CE1 3.34Å; H715-H764 PolarHBondContact CE1-CE1 2.97Å; H715-H764 AromaticContact CE1-CG 3.09Å; H715-H764 AromaticContact CE1-ND1 3.15Å; H715-H764 PolarHBondContact CE1-ND1 3.37Å; H715-H764 AromaticContact CE1-NE2 3.41Å; H715-H764 PolarHBondContact CE1-NE2 2.86Å; H715-H764 AromaticContact ND1-CE1 3.59Å; H715-H764 AromaticContact ND1-CG 3.86Å; H715-H764 AromaticContact ND1-ND1 3.45Å; H715-H764 PolarHBondContact ND1-ND1 3.1Å; H715-H764 WeakPolarHBondContact NE2-CB 3.21Å; H715-H764 AromaticContact NE2-CD2 3.78Å; H715-H764 AromaticContact NE2-CG 3.39Å; H715-H764 AromaticContact NE2-ND1 3.78Å
716	Y	90.7	Very high	88.8	Confident	100 Å²	100	39.9 Å²	39.9	39%	0.392	23%	0.233	S	C	.	.			trans	-104.4	14.4	-175.4	-59	-73.2	0	0	0	114	L696 P703 W706 K714	L696-Y716 WeakPolarHBondContact CD2-O 3.3Å; P703-Y716 HydrophobicContact CB-CD1 3.72Å; P703-Y716 HydrophobicContact CB-CE1 4.29Å; P703-Y716 HydrophobicContact CG-CD1 3.61Å; P703-Y716 HydrophobicContact CG-CE1 4.32Å; P703-Y716 HydrophobicContact CG-CG 4.17Å; W706-Y716 HydrophobicContact CB-CD1 3.72Å; W706-Y716 HydrophobicContact CB-CE1 3.79Å; W706-Y716 HydrophobicContact CD2-CE1 4.08Å; W706-Y716 HydrophobicContact CE3-CE1 4.1Å; W706-Y716 HydrophobicContact CG-CD1 4.41Å; W706-Y716 AromaticContact CG-CE1 3.97Å; W706-Y716 HydrophobicContact CG-CE1 3.97Å; K714-Y716 HydrophobicContact CB-CE2 4.29Å
717	Y	93.5	Very high	88.8	Confident	7 Å²	7	41 Å²	41	3%	0.027	24%	0.238	C	C	.	.			trans	-104.9	155.1	168.1	70.5	-83.8	0	0	0	109.6	W707 H715 S721 G722 P723 I725 L759 H764	W707-Y717 AromaticContact CZ2-CE1 3.88Å; W707-Y717 HydrophobicContact CZ2-CE1 3.88Å; W707-Y717 HydrophobicContact CZ2-CE2 4.02Å; W707-Y717 AromaticContact CZ2-CZ 3.5Å; W707-Y717 VanDerWaalsContact CZ2-CZ 3.5Å; W707-Y717 WeakPolarHBondContact CZ2-OH 3.17Å; W707-Y717 PolarHBondContact NE1-O 2.96Å; H715-Y717 HydrophobicContact CB-CD1 4.01Å; H715-Y717 HydrophobicContact CB-CE1 3.8Å; H715-Y717 AromaticContact CG-CE1 3.98Å; H715-Y717 AromaticContact ND1-CE1 3.95Å; Y717-S721 WeakPolarHBondContact CD2-O 3.25Å; Y717-G722 WeakPolarHBondContact CB-O 3.36Å; Y717-P723 HydrophobicContact CE1-CB 4.26Å; Y717-P723 HydrophobicContact CE1-CG 3.91Å; Y717-I725 WeakPolarHBondContact CB-O 3.45Å; Y717-L759 HydrophobicContact CD2-CD2 3.97Å; Y717-L759 HydrophobicContact CE2-CD2 3.61Å; Y717-H764 AromaticContact CE1-ND1 3.78Å; Y717-H764 AromaticContact CZ-ND1 3.84Å; Y717-H764 PolarHBondContact OH-ND1 3.06Å
718	W	94.4	Very high	88.9	Confident	2 Å²	2	41 Å²	41	1%	0.008	24%	0.238	C	C	.	.			trans	-116.5	174.8	-177.3	-158.9	-116.3	0	0	0	112.4	V686 L695 T705 W707 G720 S721 D755 V770 L784	V686-W718 HydrophobicContact CB-CH2 4.37Å; V686-W718 HydrophobicContact CB-CZ2 4.03Å; V686-W718 HydrophobicContact CG2-CD2 4.14Å; V686-W718 HydrophobicContact CG2-CZ2 4.09Å; L695-W718 HydrophobicContact CD1-CD2 4.29Å; L695-W718 HydrophobicContact CD1-CE3 4.48Å; L695-W718 HydrophobicContact CD2-CB 4.05Å; L695-W718 HydrophobicContact CD2-CD2 4.13Å; L695-W718 HydrophobicContact CD2-CG 3.73Å; T705-W718 HydrophobicContact CG2-CZ3 4.29Å; W707-W718 HydrophobicContact CB-CZ3 4.38Å; W718-G720 PolarHBondContact O-N 3.19Å; W718-S721 WeakPolarHBondContact O-CA 3.19Å; W718-S721 WeakPolarHBondContact O-CB 3.3Å; W718-S721 PolarHBondContact O-N 3.34Å; W718-D755 PolarHBondContact NE1-O 3.38Å; W718-D755 VanDerWaalsContact NE1-O 3.08Å; W718-V770 HydrophobicContact CH2-CG1 4.04Å; W718-V770 HydrophobicContact CZ3-CG1 4.4Å; W718-L784 HydrophobicContact CH2-CD2 4.15Å; W718-L784 HydrophobicContact CZ2-CD2 4.31Å
719	G	89.3	Confident	89	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	131.6	-179.7	0	0	0	0	0	112.7	S721 G757	G719-S721 VanDerWaalsContact C-N 3.32Å; G719-G757 VanDerWaalsContact C-CA 3.45Å; G719-G757 VanDerWaalsContact CA-C 3.48Å; G719-G757 WeakPolarHBondContact CA-O 3.27Å
720	G	90.2	Very high	89.2	Confident	30 Å²	30	42 Å²	42	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	6.2	-173.1	0	0	0	0	0	114.5	W718 F758	W718-G720 PolarHBondContact O-N 3.19Å; G720-F758 PolarHBondContact N-O 2.86Å
721	S	92.1	Very high	89.5	Confident	4 Å²	4	40.1 Å²	40.1	3%	0.028	24%	0.24	C	C	.	.			trans	-118.2	177.2	172.1	-168.2	0	0	0	0	111.3	Y717 W718 G719 I725 K727 I732	Y717-S721 WeakPolarHBondContact CD2-O 3.25Å; W718-S721 WeakPolarHBondContact O-CA 3.19Å; W718-S721 WeakPolarHBondContact O-CB 3.3Å; W718-S721 PolarHBondContact O-N 3.34Å; G719-S721 VanDerWaalsContact C-N 3.32Å; S721-I725 WeakPolarHBondContact OG-CB 3.26Å; S721-I725 WeakPolarHBondContact OG-CG2 2.96Å; S721-I725 PolarHBondContact OG-O 3.08Å; S721-K727 WeakPolarHBondContact CB-O 3.18Å; S721-K727 PolarHBondContact OG-O 2.87Å; S721-I732 WeakPolarHBondContact OG-CD1 3.08Å
722	G	89.4	Confident	89.9	Confident	9 Å²	9	38.1 Å²	38.1	9%	0.093	22%	0.221	C	C	.	.			trans	-128.5	168.9	179.9	0	0	0	0	0	113.8	Y717 I725	Y717-G722 WeakPolarHBondContact CB-O 3.36Å; G722-I725 WeakPolarHBondContact O-CB 3.41Å; G722-I725 PolarHBondContact O-N 3.15Å; G722-I725 VanDerWaalsContact O-N 3.09Å
723	P	90.4	Very high	90.4	Very high	41 Å²	41	38.3 Å²	38.3	27%	0.266	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	138.9	176.4	-25.4	34.6	0	0	0	112.6	Y717 I725 Y761	Y717-P723 HydrophobicContact CE1-CB 4.26Å; Y717-P723 HydrophobicContact CE1-CG 3.91Å; P723-I725 PolarHBondContact O-N 3.04Å; P723-Y761 HydrophobicContact CG-CD1 4.08Å; P723-Y761 HydrophobicContact CG-CD2 3.8Å; P723-Y761 HydrophobicContact CG-CE1 4.47Å; P723-Y761 HydrophobicContact CG-CE2 4.21Å; P723-Y761 HydrophobicContact CG-CG 3.71Å
724	G	83.3	Confident	90.7	Very high	88 Å²	88	44.8 Å²	44.8	91%	0.907	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-8	-177.2	0	0	0	0	0	115.3
725	I	87.8	Confident	90.9	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	24%	0.238	C	C	.	.			trans	-105.5	99.6	-178.9	-53.7	172.9	0	0	0	110.1	Y717 S721 G722 P723 K727 I732 D1308 I1311 M1312	Y717-I725 WeakPolarHBondContact CB-O 3.45Å; S721-I725 WeakPolarHBondContact OG-CB 3.26Å; S721-I725 WeakPolarHBondContact OG-CG2 2.96Å; S721-I725 PolarHBondContact OG-O 3.08Å; G722-I725 WeakPolarHBondContact O-CB 3.41Å; G722-I725 PolarHBondContact O-N 3.15Å; G722-I725 VanDerWaalsContact O-N 3.09Å; P723-I725 PolarHBondContact O-N 3.04Å; I725-K727 HydrophobicContact CG2-CB 4.03Å; I725-K727 HydrophobicContact CG2-CG 4.21Å; I725-K727 PolarHBondContact O-N 2.79Å; I725-I732 HydrophobicContact CG2-CD1 4.21Å; I725-I732 HydrophobicContact CG2-CG1 4.18Å; I725-D1308 WeakPolarHBondContact CD1-O 3.44Å; I725-I1311 HydrophobicContact CD1-CB 4.25Å; I725-I1311 HydrophobicContact CD1-CG2 4.15Å; I725-I1311 HydrophobicContact CG1-CG2 4.36Å; I725-M1312 HydrophobicContact CD1-CE 3.87Å; I725-M1312 HydrophobicContact CD1-CG 3.74Å
726	Q	86.2	Confident	90.9	Very high	76 Å²	76	43.5 Å²	43.5	36%	0.355	24%	0.24	S	C	.	.			trans	-81.2	51	177	-163.1	-178.4	-21.2	0	0	112.1	L696 T698 G701	L696-Q726 HydrophobicContact CB-CG 4.3Å; L696-Q726 HydrophobicContact CD1-CG 4.15Å; L696-Q726 PolarHBondContact O-NE2 3.17Å; T698-Q726 HydrophobicContact CG2-CG 4.45Å; T698-Q726 VanDerWaalsContact CG2-O 3.3Å; T698-Q726 WeakPolarHBondContact CG2-O 3.06Å; G701-Q726 PolarHBondContact O-NE2 2.9Å
727	K	91.9	Very high	90.9	Very high	41 Å²	41	42.8 Å²	42.8	18%	0.178	25%	0.246	C	C	.	.			trans	-130.3	152.9	174.3	-58.7	-173.5	178.7	169.2	0	109.3	S721 I725 I732 Y742 D1308	S721-K727 WeakPolarHBondContact CB-O 3.18Å; S721-K727 PolarHBondContact OG-O 2.87Å; I725-K727 HydrophobicContact CG2-CB 4.03Å; I725-K727 HydrophobicContact CG2-CG 4.21Å; I725-K727 PolarHBondContact O-N 2.79Å; K727-I732 HydrophobicContact CB-CD1 4.32Å; K727-I732 HydrophobicContact CB-CG1 4.05Å; K727-Y742 HydrophobicContact CD-CD1 4.44Å; K727-Y742 HydrophobicContact CD-CD2 4.35Å; K727-Y742 HydrophobicContact CD-CG 4.16Å; K727-Y742 HydrophobicContact CG-CD2 3.9Å; K727-Y742 HydrophobicContact CG-CG 3.89Å; K727-D1308 IonicContact NZ-OD2 2.99Å; K727-D1308 PolarHBondContact NZ-OD2 2.82Å
728	C	94.2	Very high	90.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.252	C	S	.	.			trans	-85	167.7	167.6	-63.2	0	0	0	0	110.2	L695 C730 G731 I732 Y742 C743 D755	L695-C728 VanDerWaalsContact CD2-SG 3.54Å; C728-C730 PolarHBondContact O-N 3.35Å; C728-C730 VanDerWaalsContact O-N 3.13Å; C728-G731 WeakPolarHBondContact O-CA 3.34Å; C728-G731 PolarHBondContact O-N 2.8Å; C728-I732 PolarHBondContact O-N 2.97Å; C728-Y742 WeakPolarHBondContact CB-O 3.42Å; C728-Y742 PolarHBondContact N-O 3.45Å; C728-C743 HydrophobicContact CB-CB 3.84Å; C728-C743 WeakPolarHBondContact CB-SG 3.44Å; C728-C743 PolarHBondContact N-SG 2.92Å; C728-C743 WeakPolarHBondContact SG-CB 3.28Å; C728-C743 CovalentContact SG-SG 2.04Å; C728-C743 PolarHBondContact SG-SG 3Å; C728-D755 HydrophobicContact CB-CB 4.28Å
729	A	94	Very high	90.7	Very high	19 Å²	19	49.3 Å²	49.3	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-45.1	-47.7	177.4	0	0	0	0	0	112.7	G731 I732 E733	A729-G731 PolarHBondContact O-N 3.12Å; A729-I732 PolarHBondContact O-N 3.3Å; A729-E733 WeakPolarHBondContact O-CB 3.32Å; A729-E733 WeakPolarHBondContact O-CG 3.31Å; A729-E733 PolarHBondContact O-N 2.98Å
730	C	94.1	Very high	90.9	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-28	179.9	76	0	0	0	0	114.1	C728 R734 N735 C736 N744	C728-C730 PolarHBondContact O-N 3.35Å; C728-C730 VanDerWaalsContact O-N 3.13Å; C730-R734 CarbonylContact O-C 3.57Å; C730-R734 WeakPolarHBondContact O-CA 3.44Å; C730-R734 PolarHBondContact O-N 3.47Å; C730-N735 WeakPolarHBondContact CA-OD1 3.39Å; C730-N735 WeakPolarHBondContact CB-OD1 3.18Å; C730-N735 PolarHBondContact O-N 3.09Å; C730-N735 PolarHBondContact O-OD1 3.34Å; C730-C736 HydrophobicContact CB-CB 3.93Å; C730-C736 WeakPolarHBondContact CB-SG 3.35Å; C730-C736 PolarHBondContact O-N 2.75Å; C730-C736 PolarHBondContact O-SG 3.14Å; C730-C736 VanDerWaalsContact O-SG 3.35Å; C730-C736 VanDerWaalsContact SG-CA 3.53Å; C730-C736 WeakPolarHBondContact SG-CB 3.4Å; C730-C736 CovalentContact SG-SG 2.06Å; C730-C736 PolarHBondContact SG-SG 2.89Å; C730-N744 PolarHBondContact SG-ND2 2.7Å
731	G	91	Very high	91	Very high	8 Å²	8	59.1 Å²	59.1	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-77.8	-31.9	-179.4	0	0	0	0	0	111.9	C728 A729 C736 Y742	C728-G731 WeakPolarHBondContact O-CA 3.34Å; C728-G731 PolarHBondContact O-N 2.8Å; A729-G731 PolarHBondContact O-N 3.12Å; G731-C736 VanDerWaalsContact CA-SG 3.54Å; G731-C736 PolarHBondContact N-SG 3.45Å; G731-Y742 WeakPolarHBondContact CA-O 3.32Å
732	I	90.1	Very high	91.2	Very high	23 Å²	23	63.1 Å²	63.1	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-72.4	-48.4	171.9	-67.2	141.2	0	0	0	110	S721 I725 K727 C728 A729 R734 M1312	S721-I732 WeakPolarHBondContact OG-CD1 3.08Å; I725-I732 HydrophobicContact CG2-CD1 4.21Å; I725-I732 HydrophobicContact CG2-CG1 4.18Å; K727-I732 HydrophobicContact CB-CD1 4.32Å; K727-I732 HydrophobicContact CB-CG1 4.05Å; C728-I732 PolarHBondContact O-N 2.97Å; A729-I732 PolarHBondContact O-N 3.3Å; I732-R734 PolarHBondContact O-N 2.78Å; I732-M1312 HydrophobicContact CB-CE 4.48Å; I732-M1312 HydrophobicContact CD1-CE 3.22Å; I732-M1312 HydrophobicContact CG1-CE 3.86Å; I732-M1312 HydrophobicContact CG2-CE 4.03Å
733	E	91.2	Very high	91.5	Very high	128 Å²	128	62.7 Å²	62.7	60%	0.598	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-9.1	178.1	-66.3	174.2	-172.2	0	0	113.4	A729 N735	A729-E733 WeakPolarHBondContact O-CB 3.32Å; A729-E733 WeakPolarHBondContact O-CG 3.31Å; A729-E733 PolarHBondContact O-N 2.98Å; E733-N735 VanDerWaalsContact C-N 3.26Å; E733-N735 PolarHBondContact O-N 3.41Å; E733-N735 PolarHBondContact OE2-ND2 3.28Å
734	R	89.3	Confident	91.8	Very high	206 Å²	206	62 Å²	62	78%	0.777	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.7	-176.9	-54.6	-177.9	179.9	-174.4	-0	114	C730 I732	C730-R734 CarbonylContact O-C 3.57Å; C730-R734 WeakPolarHBondContact O-CA 3.44Å; C730-R734 PolarHBondContact O-N 3.47Å; I732-R734 PolarHBondContact O-N 2.78Å
735	N	92.8	Very high	92.4	Very high	97 Å²	97	57.9 Å²	57.9	52%	0.519	28%	0.282	S	S	.	.			trans	-119.5	17	-179.9	68.8	11.6	0	0	0	113.4	C730 E733	C730-N735 WeakPolarHBondContact CA-OD1 3.39Å; C730-N735 WeakPolarHBondContact CB-OD1 3.18Å; C730-N735 PolarHBondContact O-N 3.09Å; C730-N735 PolarHBondContact O-OD1 3.34Å; E733-N735 VanDerWaalsContact C-N 3.26Å; E733-N735 PolarHBondContact O-N 3.41Å; E733-N735 PolarHBondContact OE2-ND2 3.28Å
736	C	92.5	Very high	92.7	Very high	15 Å²	15	57.7 Å²	57.7	10%	0.101	28%	0.281	C	S	.	.			trans	-56.8	149	174.9	-63.8	0	0	0	0	111.9	C730 G731 D738	C730-C736 HydrophobicContact CB-CB 3.93Å; C730-C736 WeakPolarHBondContact CB-SG 3.35Å; C730-C736 PolarHBondContact O-N 2.75Å; C730-C736 PolarHBondContact O-SG 3.14Å; C730-C736 VanDerWaalsContact O-SG 3.35Å; C730-C736 VanDerWaalsContact SG-CA 3.53Å; C730-C736 WeakPolarHBondContact SG-CB 3.4Å; C730-C736 CovalentContact SG-SG 2.06Å; C730-C736 PolarHBondContact SG-SG 2.89Å; G731-C736 VanDerWaalsContact CA-SG 3.54Å; G731-C736 PolarHBondContact N-SG 3.45Å; C736-D738 PolarHBondContact O-N 2.75Å
737	T	91.7	Very high	93.1	Very high	86 Å²	86	54.5 Å²	54.5	53%	0.528	27%	0.268	S	S	.	.	S	Bend	trans	-57.2	-39.7	-178.7	-51.5	0	0	0	0	112.2	N744	T737-N744 WeakPolarHBondContact CB-OD1 3.19Å; T737-N744 PolarHBondContact N-OD1 2.91Å; T737-N744 PolarHBondContact OG1-OD1 2.84Å
738	D	93.2	Very high	93.1	Very high	28 Å²	28	55 Å²	55	15%	0.15	27%	0.273	C	S	.	.	S	Bend	trans	-116.5	110.6	171.3	-171.7	-24.6	0	0	0	108	C736 K740 Y741 A747 Y749	C736-D738 PolarHBondContact O-N 2.75Å; D738-K740 PolarHBondContact O-N 3.31Å; D738-K740 WeakPolarHBondContact OD1-CB 3.3Å; D738-K740 WeakPolarHBondContact OD1-CG 3.18Å; D738-K740 PolarHBondContact OD1-N 2.95Å; D738-K740 VanDerWaalsContact OD1-N 3.1Å; D738-Y741 HydrophobicContact CB-CD2 3.96Å; D738-Y741 PolarHBondContact O-N 2.76Å; D738-A747 HydrophobicContact CB-CB 4.26Å; D738-Y749 PolarHBondContact OD2-OH 2.9Å
739	P	90.3	Very high	93.1	Very high	117 Å²	117	58.7 Å²	58.7	76%	0.76	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.3	-174.5	28.2	-35.5	0	0	0	113.7	Y741	P739-Y741 VanDerWaalsContact C-N 3.29Å
740	K	92.4	Very high	93.1	Very high	159 Å²	159	65.1 Å²	65.1	69%	0.691	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20	173.6	-65.9	179	-180	178	0	113.3	D738	D738-K740 PolarHBondContact O-N 3.31Å; D738-K740 WeakPolarHBondContact OD1-CB 3.3Å; D738-K740 WeakPolarHBondContact OD1-CG 3.18Å; D738-K740 PolarHBondContact OD1-N 2.95Å; D738-K740 VanDerWaalsContact OD1-N 3.1Å
741	Y	94	Very high	93.1	Very high	77 Å²	77	70 Å²	70	30%	0.302	33%	0.334	S	S	.	.	S	Bend	trans	-114.9	150.6	-176.6	-59.6	-83.2	0	0	0	110.2	T698 D738 P739 C743 D746 A747	T698-Y741 VanDerWaalsContact O-CD1 3.32Å; T698-Y741 WeakPolarHBondContact O-CD1 3.22Å; D738-Y741 HydrophobicContact CB-CD2 3.96Å; D738-Y741 PolarHBondContact O-N 2.76Å; P739-Y741 VanDerWaalsContact C-N 3.29Å; Y741-C743 VanDerWaalsContact C-N 3.33Å; Y741-D746 HydrophobicContact CD1-CB 4.08Å; Y741-D746 HydrophobicContact CG-CB 4.45Å; Y741-A747 HydrophobicContact CD2-CB 3.74Å; Y741-A747 HydrophobicContact CE2-CB 3.99Å; Y741-A747 HydrophobicContact CG-CB 4.32Å
742	Y	94.8	Very high	93.3	Very high	88 Å²	88	73.6 Å²	73.6	35%	0.345	35%	0.345	S	S	.	.	S	Bend	trans	-91	1.5	178.8	-54.6	-35.2	0	0	0	113.5	T698 P699 K727 C728 G731	T698-Y742 HydrophobicContact CG2-CD2 3.9Å; T698-Y742 HydrophobicContact CG2-CG 4.42Å; T698-Y742 PolarHBondContact OG1-N 2.96Å; P699-Y742 HydrophobicContact CB-CD2 4.38Å; P699-Y742 HydrophobicContact CB-CE2 3.73Å; K727-Y742 HydrophobicContact CD-CD1 4.44Å; K727-Y742 HydrophobicContact CD-CD2 4.35Å; K727-Y742 HydrophobicContact CD-CG 4.16Å; K727-Y742 HydrophobicContact CG-CD2 3.9Å; K727-Y742 HydrophobicContact CG-CG 3.89Å; C728-Y742 WeakPolarHBondContact CB-O 3.42Å; C728-Y742 PolarHBondContact N-O 3.45Å; G731-Y742 WeakPolarHBondContact CA-O 3.32Å
743	C	96.1	Very high	93.5	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.007	35%	0.35	C	S	.	.	S	Bend	trans	-143.8	145.4	176.8	-65.9	0	0	0	0	109.6	C728 Y741 C745 D746	C728-C743 HydrophobicContact CB-CB 3.84Å; C728-C743 WeakPolarHBondContact CB-SG 3.44Å; C728-C743 PolarHBondContact N-SG 2.92Å; C728-C743 WeakPolarHBondContact SG-CB 3.28Å; C728-C743 CovalentContact SG-SG 2.04Å; C728-C743 PolarHBondContact SG-SG 3Å; Y741-C743 VanDerWaalsContact C-N 3.33Å; C743-C745 VanDerWaalsContact C-N 3.3Å; C743-C745 PolarHBondContact O-N 3.28Å; C743-D746 HydrophobicContact CB-CB 4.15Å; C743-D746 PolarHBondContact O-N 3.14Å
744	N	96.4	Very high	93.7	Very high	25 Å²	25	74.2 Å²	74.2	13%	0.134	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.9	178.7	-67.5	-68.1	0	0	0	112.5	C730 T737 D746 R753 K754 D755	C730-N744 PolarHBondContact SG-ND2 2.7Å; T737-N744 WeakPolarHBondContact CB-OD1 3.19Å; T737-N744 PolarHBondContact N-OD1 2.91Å; T737-N744 PolarHBondContact OG1-OD1 2.84Å; N744-D746 VanDerWaalsContact C-N 3.35Å; N744-R753 HydrophobicContact CB-CB 4.22Å; N744-K754 PolarHBondContact ND2-O 2.79Å; N744-D755 PolarHBondContact N-OD1 2.75Å; N744-D755 PolarHBondContact N-OD2 3.3Å; N744-D755 PolarHBondContact ND2-OD1 2.74Å; N744-D755 VanDerWaalsContact ND2-OD1 3.09Å
745	C	95.4	Very high	94.1	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.014	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-74.6	-23.8	179.7	-71.7	0	0	0	0	113.5	Y688 C690 L695 C743 A747 D748 D755	Y688-C745 HydrophobicContact CD1-CB 4.07Å; Y688-C745 HydrophobicContact CE1-CB 4.19Å; C690-C745 HydrophobicContact CB-CB 3.83Å; C690-C745 WeakPolarHBondContact CB-SG 3.28Å; C690-C745 WeakPolarHBondContact SG-CA 3.36Å; C690-C745 WeakPolarHBondContact SG-CB 3.4Å; C690-C745 CovalentContact SG-SG 2.02Å; C690-C745 PolarHBondContact SG-SG 3.3Å; L695-C745 HydrophobicContact CB-CB 4.23Å; C743-C745 VanDerWaalsContact C-N 3.3Å; C743-C745 PolarHBondContact O-N 3.28Å; C745-A747 PolarHBondContact O-N 2.92Å; C745-D748 PolarHBondContact O-N 3.28Å; C745-D755 WeakPolarHBondContact CB-OD2 3.27Å; C745-D755 PolarHBondContact N-OD2 2.81Å; C745-D755 PolarHBondContact SG-OD2 2.81Å; C745-D755 VanDerWaalsContact SG-OD2 3.41Å
746	D	95.5	Very high	94.2	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.027	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-71.9	-18.7	179.4	-73.1	-12	0	0	0	112.8	L695 L696 N697 T698 Y741 C743 N744 D748	L695-D746 PolarHBondContact N-OD1 2.96Å; L696-D746 PolarHBondContact N-OD1 2.81Å; N697-D746 PolarHBondContact N-OD1 2.87Å; N697-D746 PolarHBondContact N-OD2 3.42Å; T698-D746 WeakPolarHBondContact CB-OD2 3.41Å; T698-D746 PolarHBondContact N-OD2 3.11Å; T698-D746 PolarHBondContact OG1-OD2 2.91Å; Y741-D746 HydrophobicContact CD1-CB 4.08Å; Y741-D746 HydrophobicContact CG-CB 4.45Å; C743-D746 HydrophobicContact CB-CB 4.15Å; C743-D746 PolarHBondContact O-N 3.14Å; N744-D746 VanDerWaalsContact C-N 3.35Å; D746-D748 PolarHBondContact O-N 3.01Å; D746-D748 VanDerWaalsContact O-N 3.17Å
747	A	93.6	Very high	94.4	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.7	-8.4	173.2	0	0	0	0	0	113.9	D738 Y741 C745 Y749	D738-A747 HydrophobicContact CB-CB 4.26Å; Y741-A747 HydrophobicContact CD2-CB 3.74Å; Y741-A747 HydrophobicContact CE2-CB 3.99Å; Y741-A747 HydrophobicContact CG-CB 4.32Å; C745-A747 PolarHBondContact O-N 2.92Å; A747-Y749 VanDerWaalsContact C-N 3.31Å; A747-Y749 HydrophobicContact CB-CD1 4.28Å; A747-Y749 HydrophobicContact CB-CD2 4Å; A747-Y749 HydrophobicContact CB-CE1 4.07Å; A747-Y749 HydrophobicContact CB-CE2 3.81Å; A747-Y749 HydrophobicContact CB-CG 4.25Å; A747-Y749 VanDerWaalsContact O-CD1 3.31Å; A747-Y749 WeakPolarHBondContact O-CD1 3.32Å; A747-Y749 PolarHBondContact O-N 2.86Å
748	D	92.9	Very high	94.6	Very high	51 Å²	51	61 Å²	61	27%	0.273	29%	0.286	S	S	.	.			trans	56.6	37	173	-161.3	34.3	0	0	0	114.8	M692 R694 C745 D746 R777	M692-D748 WeakPolarHBondContact CA-OD1 3.5Å; R694-D748 HydrophobicContact CG-CB 4.11Å; C745-D748 PolarHBondContact O-N 3.28Å; D746-D748 PolarHBondContact O-N 3.01Å; D746-D748 VanDerWaalsContact O-N 3.17Å; D748-R777 VanDerWaalsContact CG-NH2 3.31Å; D748-R777 IonicContact OD1-CZ 3.51Å; D748-R777 IonicContact OD1-NH1 2.76Å; D748-R777 PolarHBondContact OD1-NH1 3.02Å; D748-R777 IonicContact OD1-NH2 3.36Å; D748-R777 PolarHBondContact OD1-NH2 2.9Å; D748-R777 IonicContact OD2-CZ 3.96Å; D748-R777 IonicContact OD2-NH1 3.39Å; D748-R777 PolarHBondContact OD2-NH1 2.92Å; D748-R777 IonicContact OD2-NH2 3.53Å; D748-R777 PolarHBondContact OD2-NH2 3.41Å
749	Y	94.5	Very high	94.7	Very high	79 Å²	79	59.6 Å²	59.6	31%	0.31	28%	0.279	S	S	.	.			trans	-77.5	150.6	-175.8	-69.2	-25.5	0	0	0	114.1	M692 D738 A747 Q751 R753	M692-Y749 PolarHBondContact N-O 3.03Å; D738-Y749 PolarHBondContact OD2-OH 2.9Å; A747-Y749 VanDerWaalsContact C-N 3.31Å; A747-Y749 HydrophobicContact CB-CD1 4.28Å; A747-Y749 HydrophobicContact CB-CD2 4Å; A747-Y749 HydrophobicContact CB-CE1 4.07Å; A747-Y749 HydrophobicContact CB-CE2 3.81Å; A747-Y749 HydrophobicContact CB-CG 4.25Å; A747-Y749 VanDerWaalsContact O-CD1 3.31Å; A747-Y749 WeakPolarHBondContact O-CD1 3.32Å; A747-Y749 PolarHBondContact O-N 2.86Å; Y749-Q751 VanDerWaalsContact C-N 3.26Å; Y749-Q751 PolarHBondContact O-N 2.83Å; Y749-R753 HydrophobicContact CD2-CG 4.49Å
750	K	92.7	Very high	94.9	Very high	154 Å²	154	56.7 Å²	56.7	67%	0.67	26%	0.261	S	S	*	.	S	Bend	trans	-70.3	-20.9	174.9	-67.2	-174	176.1	-179.4	0	113.7	K691 M692	K691-K750 WeakPolarHBondContact CG-O 3.37Å; M692-K750 HydrophobicContact CG-CG 4.07Å; M692-K750 HydrophobicContact SD-CG 3.71Å
751	Q	94.4	Very high	95	Very high	112 Å²	112	52 Å²	52	52%	0.523	24%	0.24	S	C	.	.	S	Bend	trans	-86.1	148.8	174.4	-60.1	85.5	-1.7	0	0	109.6	Y749 R753	Y749-Q751 VanDerWaalsContact C-N 3.26Å; Y749-Q751 PolarHBondContact O-N 2.83Å; Q751-R753 VanDerWaalsContact CB-NH1 3.29Å; Q751-R753 PolarHBondContact O-N 2.86Å
752	W	95	Very high	94.8	Very high	82 Å²	82	50.2 Å²	50.2	31%	0.311	23%	0.233	S	C	.	.			trans	-58.6	133.2	173.5	-71.8	99.7	0	0	0	111.3	F689 C690 K691 E781 K783	F689-W752 HydrophobicContact CD1-CD2 4.05Å; F689-W752 AromaticContact CD1-CE3 3.39Å; F689-W752 HydrophobicContact CD1-CE3 3.39Å; F689-W752 AromaticContact CD1-CZ3 3.76Å; F689-W752 HydrophobicContact CD1-CZ3 3.76Å; F689-W752 HydrophobicContact CD2-CE3 4.4Å; F689-W752 HydrophobicContact CE1-CB 4.02Å; F689-W752 AromaticContact CE1-CD2 3.62Å; F689-W752 HydrophobicContact CE1-CD2 3.62Å; F689-W752 AromaticContact CE1-CE3 3.46Å; F689-W752 HydrophobicContact CE1-CE3 3.46Å; F689-W752 VanDerWaalsContact CE1-CE3 3.46Å; F689-W752 AromaticContact CE1-CG 3.88Å; F689-W752 HydrophobicContact CE1-CG 3.88Å; F689-W752 HydrophobicContact CE1-CZ3 4.18Å; F689-W752 HydrophobicContact CE2-CB 3.87Å; F689-W752 HydrophobicContact CE2-CE3 4.46Å; F689-W752 AromaticContact CG-CE3 3.91Å; F689-W752 HydrophobicContact CG-CE3 3.91Å; F689-W752 HydrophobicContact CG-CZ3 4.34Å; F689-W752 HydrophobicContact CZ-CB 3.46Å; F689-W752 VanDerWaalsContact CZ-CB 3.46Å; F689-W752 HydrophobicContact CZ-CD2 4.04Å; F689-W752 HydrophobicContact CZ-CE3 4.04Å; F689-W752 AromaticContact CZ-CG 3.84Å; F689-W752 HydrophobicContact CZ-CG 3.84Å; C690-W752 VanDerWaalsContact C-CE3 3.46Å; C690-W752 CarbonylContact O-C 3.54Å; C690-W752 VanDerWaalsContact O-CA 3.3Å; C690-W752 WeakPolarHBondContact O-CA 3.43Å; C690-W752 VanDerWaalsContact O-CE3 3.31Å; K691-W752 HydrophobicContact CB-CD2 3.91Å; K691-W752 HydrophobicContact CB-CE3 3.89Å; K691-W752 HydrophobicContact CB-CH2 4.15Å; K691-W752 HydrophobicContact CB-CZ2 4.18Å; K691-W752 HydrophobicContact CB-CZ3 4.01Å; K691-W752 HydrophobicContact CD-CD2 4.49Å; K691-W752 HydrophobicContact CD-CZ2 4.12Å; W752-E781 HydrophobicContact CH2-CB 3.7Å; W752-E781 HydrophobicContact CZ2-CB 4.23Å; W752-E781 WeakPolarHBondContact CZ2-OE2 3.19Å; W752-K783 HydrophobicContact CH2-CG 4.43Å
753	R	95.8	Very high	94.6	Very high	63 Å²	63	49.7 Å²	49.7	24%	0.238	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	165	173.2	-69.8	-64.9	-178.4	-82.5	-3.8	109.2	F689 C690 N744 Y749 Q751	F689-R753 WeakPolarHBondContact CA-O 3.32Å; F689-R753 WeakPolarHBondContact CD2-O 3.11Å; C690-R753 PolarHBondContact N-O 3.12Å; C690-R753 PolarHBondContact O-N 2.97Å; C690-R753 PolarHBondContact SG-O 2.85Å; N744-R753 HydrophobicContact CB-CB 4.22Å; Y749-R753 HydrophobicContact CD2-CG 4.49Å; Q751-R753 VanDerWaalsContact CB-NH1 3.29Å; Q751-R753 PolarHBondContact O-N 2.86Å
754	K	95.1	Very high	94.5	Very high	102 Å²	102	50.9 Å²	50.9	44%	0.443	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.4	-174.7	-169.5	-176.7	170.6	-163.8	0	109.7	Y685 S687 Y688 F689 N744 A756	Y685-K754 PolarHBondContact OH-NZ 2.72Å; Y685-K754 VanDerWaalsContact OH-NZ 3.08Å; S687-K754 WeakPolarHBondContact OG-CE 3.36Å; Y688-K754 WeakPolarHBondContact O-CA 3.46Å; F689-K754 HydrophobicContact CD2-CB 3.82Å; F689-K754 HydrophobicContact CD2-CG 4.15Å; F689-K754 HydrophobicContact CE2-CB 4.29Å; N744-K754 PolarHBondContact ND2-O 2.79Å; K754-A756 HydrophobicContact CD-CB 4.42Å; K754-A756 VanDerWaalsContact CE-CB 3.47Å; K754-A756 HydrophobicContact CG-CB 4.3Å
755	D	96.9	Very high	94.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.9	161.9	-70	-62.2	0	0	0	108.3	Y688 L695 W718 C728 N744 C745	Y688-D755 PolarHBondContact N-O 2.84Å; Y688-D755 PolarHBondContact O-N 2.98Å; L695-D755 HydrophobicContact CD2-CB 4.26Å; W718-D755 PolarHBondContact NE1-O 3.38Å; W718-D755 VanDerWaalsContact NE1-O 3.08Å; C728-D755 HydrophobicContact CB-CB 4.28Å; N744-D755 PolarHBondContact N-OD1 2.75Å; N744-D755 PolarHBondContact N-OD2 3.3Å; N744-D755 PolarHBondContact ND2-OD1 2.74Å; N744-D755 VanDerWaalsContact ND2-OD1 3.09Å; C745-D755 WeakPolarHBondContact CB-OD2 3.27Å; C745-D755 PolarHBondContact N-OD2 2.81Å; C745-D755 PolarHBondContact SG-OD2 2.81Å; C745-D755 VanDerWaalsContact SG-OD2 3.41Å
756	A	95.6	Very high	94.4	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.2	-175.4	0	0	0	0	0	112	Y685 V686 K754	Y685-A756 HydrophobicContact CE2-CB 4.32Å; Y685-A756 VanDerWaalsContact OH-CB 3.26Å; Y685-A756 WeakPolarHBondContact OH-CB 3.38Å; V686-A756 WeakPolarHBondContact O-CA 3.34Å; V686-A756 WeakPolarHBondContact O-CB 3.42Å; K754-A756 HydrophobicContact CD-CB 4.42Å; K754-A756 VanDerWaalsContact CE-CB 3.47Å; K754-A756 HydrophobicContact CG-CB 4.3Å
757	G	95.3	Very high	94.4	Very high	12 Å²	12	49.3 Å²	49.3	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-171.3	175.5	0	0	0	0	0	111	V686 G719	V686-G757 PolarHBondContact N-O 2.77Å; V686-G757 PolarHBondContact O-N 3.49Å; G719-G757 VanDerWaalsContact C-CA 3.45Å; G719-G757 VanDerWaalsContact CA-C 3.48Å; G719-G757 WeakPolarHBondContact CA-O 3.27Å
758	F	96.3	Very high	94.4	Very high	82 Å²	82	49.3 Å²	49.3	36%	0.36	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.9	176.8	-71.2	-83.9	0	0	0	111.2	E683 Q684 Y685 G720	E683-F758 HydrophobicContact CB-CB 4.45Å; E683-F758 HydrophobicContact CB-CD1 3.91Å; E683-F758 HydrophobicContact CB-CG 4.48Å; E683-F758 HydrophobicContact CG-CD1 3.89Å; E683-F758 HydrophobicContact CG-CE1 4.14Å; E683-F758 WeakPolarHBondContact OE1-CE1 3.44Å; Q684-F758 WeakPolarHBondContact O-CA 3.26Å; Y685-F758 HydrophobicContact CD2-CD1 4.49Å; Y685-F758 HydrophobicContact CD2-CD2 4.36Å; Y685-F758 HydrophobicContact CD2-CE1 4.28Å; Y685-F758 HydrophobicContact CD2-CE2 4.12Å; Y685-F758 HydrophobicContact CD2-CZ 4.09Å; Y685-F758 HydrophobicContact CG-CE1 4.47Å; G720-F758 PolarHBondContact N-O 2.86Å
759	L	96.4	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.9	156	-58.1	172.8	0	0	0	106.3	E683 Q684 V686 W707 Y717 L765 V767	E683-L759 CarbonylContact C-O 3.48Å; E683-L759 VanDerWaalsContact CA-O 3.23Å; E683-L759 WeakPolarHBondContact CA-O 3.32Å; Q684-L759 PolarHBondContact N-O 3.45Å; Q684-L759 PolarHBondContact O-N 2.72Å; V686-L759 HydrophobicContact CG1-CD1 3.61Å; V686-L759 HydrophobicContact CG1-CG 4.15Å; V686-L759 HydrophobicContact CG2-CD1 4.07Å; V686-L759 HydrophobicContact CG2-CD2 4.21Å; V686-L759 HydrophobicContact CG2-CG 3.85Å; W707-L759 HydrophobicContact CD2-CD1 3.91Å; W707-L759 HydrophobicContact CE3-CD1 4.25Å; W707-L759 HydrophobicContact CG-CD1 4.46Å; W707-L759 HydrophobicContact CH2-CD1 4Å; W707-L759 HydrophobicContact CZ2-CD1 3.66Å; W707-L759 HydrophobicContact CZ2-CD2 3.88Å; W707-L759 HydrophobicContact CZ2-CG 4.25Å; W707-L759 HydrophobicContact CZ3-CD1 4.29Å; Y717-L759 HydrophobicContact CD2-CD2 3.97Å; Y717-L759 HydrophobicContact CE2-CD2 3.61Å; L759-L765 HydrophobicContact CB-CD2 3.89Å; L759-L765 HydrophobicContact CD1-CD2 4.39Å; L759-V767 HydrophobicContact CD1-CG2 3.5Å; L759-V767 VanDerWaalsContact CD1-CG2 3.5Å
760	S	94.4	Very high	94.3	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	22%	0.217	S	C	.	.			trans	-126.1	2.4	-174.2	52.8	0	0	0	0	114	Y681 C682 K762	Y681-S760 WeakPolarHBondContact OH-CB 3.42Å; C682-S760 CarbonylContact O-C 3.48Å; C682-S760 WeakPolarHBondContact O-CA 3.44Å; S760-K762 PolarHBondContact O-N 3.36Å
761	Y	93.4	Very high	94.1	Very high	62 Å²	62	38.8 Å²	38.8	24%	0.243	19%	0.188	C	C	.	.			trans	-80.8	100.4	177.2	-163.7	-96.6	0	0	0	110.1	P723 D763 H764 P1316	P723-Y761 HydrophobicContact CG-CD1 4.08Å; P723-Y761 HydrophobicContact CG-CD2 3.8Å; P723-Y761 HydrophobicContact CG-CE1 4.47Å; P723-Y761 HydrophobicContact CG-CE2 4.21Å; P723-Y761 HydrophobicContact CG-CG 3.71Å; Y761-D763 VanDerWaalsContact C-N 3.3Å; Y761-D763 HydrophobicContact CD1-CB 4.35Å; Y761-D763 HydrophobicContact CE1-CB 3.95Å; Y761-D763 PolarHBondContact O-N 2.65Å; Y761-H764 HydrophobicContact CD1-CB 4.2Å; Y761-H764 AromaticContact CD1-CD2 3.69Å; Y761-H764 AromaticContact CD1-CE1 3.48Å; Y761-H764 VanDerWaalsContact CD1-CE1 3.48Å; Y761-H764 WeakPolarHBondContact CD1-CE1 3.12Å; Y761-H764 AromaticContact CD1-CG 3.48Å; Y761-H764 VanDerWaalsContact CD1-CG 3.48Å; Y761-H764 AromaticContact CD1-ND1 3.35Å; Y761-H764 WeakPolarHBondContact CD1-ND1 3.44Å; Y761-H764 AromaticContact CD1-NE2 3.69Å; Y761-H764 AromaticContact CE1-CD2 3.82Å; Y761-H764 AromaticContact CE1-CE1 3.7Å; Y761-H764 AromaticContact CE1-NE2 3.56Å; Y761-H764 PolarHBondContact O-N 3.01Å; Y761-P1316 HydrophobicContact CE2-CB 4.33Å; Y761-P1316 HydrophobicContact CE2-CG 3.64Å; Y761-P1316 VanDerWaalsContact OH-CB 3.25Å; Y761-P1316 WeakPolarHBondContact OH-CB 3.42Å; Y761-P1316 WeakPolarHBondContact OH-CG 3.16Å
762	K	91	Very high	93.9	Very high	38 Å²	38	33.4 Å²	33.4	17%	0.165	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-51.6	-43.7	-168.6	-168	179.6	89.8	146.9	0	113.9	T676 D677 A679 C682 S760 H764 L765	T676-K762 WeakPolarHBondContact O-CD 3.16Å; T676-K762 WeakPolarHBondContact O-CE 3.25Å; T676-K762 PolarHBondContact O-NZ 3.23Å; D677-K762 PolarHBondContact O-NZ 2.68Å; A679-K762 PolarHBondContact O-NZ 3.28Å; C682-K762 HydrophobicContact CB-CG 4.11Å; S760-K762 PolarHBondContact O-N 3.36Å; K762-H764 PolarHBondContact O-N 3.11Å; K762-L765 PolarHBondContact O-N 3.47Å; K762-L765 VanDerWaalsContact O-N 3.16Å
763	D	89.9	Confident	93.4	Very high	77 Å²	77	29.9 Å²	29.9	41%	0.412	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-72	-18.3	-172.2	-59.2	-28.9	0	0	0	113.5	K710 Y761	K710-D763 WeakPolarHBondContact CE-O 3.14Å; Y761-D763 VanDerWaalsContact C-N 3.3Å; Y761-D763 HydrophobicContact CD1-CB 4.35Å; Y761-D763 HydrophobicContact CE1-CB 3.95Å; Y761-D763 PolarHBondContact O-N 2.65Å
764	H	93.6	Very high	93	Very high	26 Å²	26	27.2 Å²	27.2	12%	0.12	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-89.4	-21.5	174.4	-62.7	166.1	0	0	0	112.7	W707 G709 K710 E713 H715 Y717 Y761 K762	W707-H764 HydrophobicContact CH2-CB 3.6Å; W707-H764 HydrophobicContact CZ2-CB 4.49Å; W707-H764 HydrophobicContact CZ3-CB 4.27Å; G709-H764 CarbonylContact C-O 3.51Å; G709-H764 WeakPolarHBondContact CA-O 3.34Å; K710-H764 PolarHBondContact N-O 2.59Å; E713-H764 IonicContact OE1-CD2 2.84Å; E713-H764 PolarHBondContact OE1-CD2 3.25Å; E713-H764 IonicContact OE1-CG 3.54Å; H715-H764 AromaticContact CE1-CD2 3.24Å; H715-H764 PolarHBondContact CE1-CD2 2.76Å; H715-H764 AromaticContact CE1-CE1 3.34Å; H715-H764 PolarHBondContact CE1-CE1 2.97Å; H715-H764 AromaticContact CE1-CG 3.09Å; H715-H764 AromaticContact CE1-ND1 3.15Å; H715-H764 PolarHBondContact CE1-ND1 3.37Å; H715-H764 AromaticContact CE1-NE2 3.41Å; H715-H764 PolarHBondContact CE1-NE2 2.86Å; H715-H764 AromaticContact ND1-CE1 3.59Å; H715-H764 AromaticContact ND1-CG 3.86Å; H715-H764 AromaticContact ND1-ND1 3.45Å; H715-H764 PolarHBondContact ND1-ND1 3.1Å; H715-H764 WeakPolarHBondContact NE2-CB 3.21Å; H715-H764 AromaticContact NE2-CD2 3.78Å; H715-H764 AromaticContact NE2-CG 3.39Å; H715-H764 AromaticContact NE2-ND1 3.78Å; Y717-H764 AromaticContact CE1-ND1 3.78Å; Y717-H764 AromaticContact CZ-ND1 3.84Å; Y717-H764 PolarHBondContact OH-ND1 3.06Å; Y761-H764 HydrophobicContact CD1-CB 4.2Å; Y761-H764 AromaticContact CD1-CD2 3.69Å; Y761-H764 AromaticContact CD1-CE1 3.48Å; Y761-H764 VanDerWaalsContact CD1-CE1 3.48Å; Y761-H764 WeakPolarHBondContact CD1-CE1 3.12Å; Y761-H764 AromaticContact CD1-CG 3.48Å; Y761-H764 VanDerWaalsContact CD1-CG 3.48Å; Y761-H764 AromaticContact CD1-ND1 3.35Å; Y761-H764 WeakPolarHBondContact CD1-ND1 3.44Å; Y761-H764 AromaticContact CD1-NE2 3.69Å; Y761-H764 AromaticContact CE1-CD2 3.82Å; Y761-H764 AromaticContact CE1-CE1 3.7Å; Y761-H764 AromaticContact CE1-NE2 3.56Å; Y761-H764 PolarHBondContact O-N 3.01Å; K762-H764 PolarHBondContact O-N 3.11Å
765	L	95.5	Very high	92.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-81.6	148	-173.9	-70.1	177.6	0	0	0	112.2	C682 Q684 W707 K710 L759 K762 L789	C682-L765 HydrophobicContact CB-CD1 4.13Å; Q684-L765 HydrophobicContact CB-CD1 4.41Å; Q684-L765 HydrophobicContact CB-CD2 3.8Å; W707-L765 HydrophobicContact CH2-CD2 4.41Å; K710-L765 WeakPolarHBondContact CD-O 3.42Å; L759-L765 HydrophobicContact CB-CD2 3.89Å; L759-L765 HydrophobicContact CD1-CD2 4.39Å; K762-L765 PolarHBondContact O-N 3.47Å; K762-L765 VanDerWaalsContact O-N 3.16Å; L765-L789 HydrophobicContact CB-CD1 3.97Å; L765-L789 HydrophobicContact CD1-CD1 4.17Å
766	P	96	Very high	91.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	S	Bend	cis	-87.3	168.4	5.7	35.4	-40.2	0	0	0	114.8	Y665 M669 I672 G709 K710 S768 L789	Y665-P766 HydrophobicContact CE1-CB 4.18Å; Y665-P766 HydrophobicContact CE2-CB 4.19Å; Y665-P766 HydrophobicContact CE2-CG 4.17Å; Y665-P766 WeakPolarHBondContact OH-CB 3.35Å; M669-P766 HydrophobicContact CE-CG 4.34Å; M669-P766 HydrophobicContact SD-CG 3.99Å; I672-P766 HydrophobicContact CD1-CG 4.47Å; I672-P766 HydrophobicContact CG2-CG 3.84Å; G709-P766 CarbonylContact C-O 3.59Å; G709-P766 WeakPolarHBondContact CA-O 3.36Å; K710-P766 PolarHBondContact N-O 2.94Å; P766-S768 PolarHBondContact O-N 2.81Å; P766-L789 HydrophobicContact CB-CB 4.39Å; P766-L789 HydrophobicContact CB-CD1 4.28Å; P766-L789 HydrophobicContact CB-CD2 4.13Å; P766-L789 HydrophobicContact CB-CG 4.5Å; P766-L789 HydrophobicContact CG-CD2 4.5Å
767	V	95.4	Very high	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-65.2	116.1	167.2	-178.5	0	0	0	0	109.4	L663 Y665 V686 W707 L759 V770 V786	L663-V767 HydrophobicContact CD1-CG1 4.41Å; L663-V767 HydrophobicContact CD2-CG1 4.47Å; Y665-V767 VanDerWaalsContact CE2-O 3.31Å; Y665-V767 WeakPolarHBondContact CE2-O 3.44Å; Y665-V767 PolarHBondContact OH-O 3.08Å; V686-V767 HydrophobicContact CG1-CG2 4.13Å; W707-V767 HydrophobicContact CB-CG1 4.25Å; W707-V767 HydrophobicContact CD2-CG2 4.26Å; W707-V767 HydrophobicContact CE3-CB 4.29Å; W707-V767 HydrophobicContact CE3-CG1 4.33Å; W707-V767 HydrophobicContact CE3-CG2 3.72Å; W707-V767 HydrophobicContact CZ3-CG2 4.05Å; L759-V767 HydrophobicContact CD1-CG2 3.5Å; L759-V767 VanDerWaalsContact CD1-CG2 3.5Å; V767-V770 HydrophobicContact CG1-CG2 3.75Å; V767-V786 HydrophobicContact CB-CG1 4.31Å
768	S	92.4	Very high	90.8	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.07	19%	0.188	C	C	.	.			trans	-94.6	-34.8	176.5	62.4	0	0	0	0	112.2	L663 V708 G709 P766	L663-S768 PolarHBondContact N-O 2.94Å; V708-S768 PolarHBondContact O-N 2.73Å; V708-S768 PolarHBondContact O-OG 2.86Å; G709-S768 PolarHBondContact O-OG 2.97Å; P766-S768 PolarHBondContact O-N 2.81Å
769	Q	92.1	Very high	90.3	Very high	54 Å²	54	36 Å²	36	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154	177.3	-52.3	177.4	-16.1	0	0	111.8	V660 T661 Q662 W707 V708	V660-Q769 HydrophobicContact CG1-CB 4.37Å; T661-Q769 CarbonylContact O-C 3.51Å; T661-Q769 WeakPolarHBondContact O-CA 3.18Å; Q662-Q769 HydrophobicContact CG-CG 4.45Å; W707-Q769 CarbonylContact C-O 3.53Å; W707-Q769 WeakPolarHBondContact CA-O 3.46Å; V708-Q769 HydrophobicContact CB-CB 3.96Å; V708-Q769 HydrophobicContact CB-CG 4.48Å; V708-Q769 HydrophobicContact CG2-CB 4.08Å; V708-Q769 PolarHBondContact N-O 3.11Å; V708-Q769 PolarHBondContact O-N 2.79Å
770	V	92.6	Very high	90	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	166.1	-174.2	0	0	0	0	108.8	T661 T705 W707 W718 V767 V772 L784 V786	T661-V770 PolarHBondContact N-O 3.07Å; T661-V770 PolarHBondContact O-N 2.8Å; T705-V770 HydrophobicContact CG2-CG1 4.35Å; W707-V770 HydrophobicContact CB-CG2 4.3Å; W718-V770 HydrophobicContact CH2-CG1 4.04Å; W718-V770 HydrophobicContact CZ3-CG1 4.4Å; V767-V770 HydrophobicContact CG1-CG2 3.75Å; V770-V772 HydrophobicContact CG1-CG2 4.3Å; V770-L784 HydrophobicContact CB-CD1 3.9Å; V770-L784 HydrophobicContact CG1-CD1 3.61Å; V770-L784 HydrophobicContact CG1-CD2 3.81Å; V770-L784 HydrophobicContact CG1-CG 4.39Å; V770-V786 HydrophobicContact CG2-CG2 4.1Å
771	V	89.8	Confident	89.9	Confident	7 Å²	7	37.7 Å²	37.7	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.4	-176.6	-174	0	0	0	0	109.2	Y658 S659 V660 T705 W706	Y658-V771 HydrophobicContact CD1-CG1 4.09Å; Y658-V771 HydrophobicContact CG-CG1 3.76Å; S659-V771 CarbonylContact O-C 3.4Å; S659-V771 WeakPolarHBondContact O-CA 3.49Å; V660-V771 HydrophobicContact CG1-CG2 4.47Å; V660-V771 HydrophobicContact CG2-CG1 4.38Å; V660-V771 HydrophobicContact CG2-CG2 4.28Å; T705-V771 WeakPolarHBondContact CA-O 3.4Å; T705-V771 WeakPolarHBondContact CG2-O 3.46Å; W706-V771 HydrophobicContact CD2-CB 4.06Å; W706-V771 HydrophobicContact CD2-CG1 4.37Å; W706-V771 HydrophobicContact CG-CB 4.4Å; W706-V771 HydrophobicContact CH2-CG1 3.82Å; W706-V771 HydrophobicContact CZ2-CB 3.89Å; W706-V771 HydrophobicContact CZ2-CG1 3.43Å; W706-V771 VanDerWaalsContact CZ2-CG1 3.43Å; W706-V771 HydrophobicContact CZ2-CG2 4.31Å; W706-V771 HydrophobicContact CZ3-CG1 4.42Å; W706-V771 PolarHBondContact N-O 3.24Å; W706-V771 VanDerWaalsContact N-O 3.09Å; W706-V771 PolarHBondContact O-N 2.81Å
772	V	89.5	Confident	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.2	-176.1	-178.9	0	0	0	0	110	V650 S659 Y688 T705 V770 T775 L784	V650-V772 HydrophobicContact CG1-CB 3.95Å; V650-V772 HydrophobicContact CG1-CG1 4.23Å; V650-V772 HydrophobicContact CG1-CG2 4.22Å; V650-V772 HydrophobicContact CG2-CG2 4.46Å; S659-V772 PolarHBondContact N-O 2.87Å; S659-V772 PolarHBondContact O-N 3.49Å; Y688-V772 HydrophobicContact CE2-CG1 4.12Å; Y688-V772 HydrophobicContact CE2-CG2 4.18Å; T705-V772 HydrophobicContact CG2-CG2 3.99Å; V770-V772 HydrophobicContact CG1-CG2 4.3Å; V772-T775 HydrophobicContact CG1-CG2 3.79Å; V772-L784 HydrophobicContact CG2-CD1 3.8Å; V772-L784 HydrophobicContact CG2-CG 4.41Å
773	G	84.3	Confident	89.9	Confident	7 Å²	7	36.2 Å²	36.2	7%	0.072	19%	0.186	C	C	.	.			trans	-117.8	-19.6	-177.7	0	0	0	0	0	117.7	Y704 T775	Y704-G773 PolarHBondContact O-N 2.91Å; G773-T775 PolarHBondContact O-N 2.85Å
774	D	87.4	Confident	90	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.043	17%	0.166	C	C	.	.			trans	-98.1	36.7	-170.7	-164.8	35.9	0	0	0	113.8	S693 R694 Y704 R777 S780	S693-D774 PolarHBondContact OG-O 2.85Å; R694-D774 WeakPolarHBondContact CB-OD2 3.05Å; R694-D774 IonicContact CZ-OD1 2.68Å; R694-D774 IonicContact CZ-OD2 2.73Å; R694-D774 PolarHBondContact N-OD2 3.19Å; R694-D774 IonicContact NE-OD1 3.1Å; R694-D774 IonicContact NE-OD2 3.39Å; R694-D774 PolarHBondContact NE-OD2 2.72Å; R694-D774 IonicContact NH2-OD1 3.98Å; R694-D774 PolarHBondContact NH2-OD1 2.89Å; R694-D774 VanDerWaalsContact NH2-OD1 3.1Å; R694-D774 IonicContact NH2-OD2 3.38Å; R694-D774 PolarHBondContact NH2-OD2 3.45Å; Y704-D774 HydrophobicContact CD1-CB 3.93Å; Y704-D774 HydrophobicContact CD2-CB 4.15Å; Y704-D774 HydrophobicContact CG-CB 3.74Å; D774-R777 IonicContact OD1-CZ 3.48Å; D774-R777 IonicContact OD1-NE 3.34Å; D774-R777 PolarHBondContact OD1-NE 3.35Å; D774-R777 IonicContact OD1-NH2 2.7Å; D774-R777 PolarHBondContact OD1-NH2 3.12Å; D774-R777 IonicContact OD2-CZ 3.13Å; D774-R777 IonicContact OD2-NE 3.52Å; D774-R777 IonicContact OD2-NH2 3.21Å; D774-R777 PolarHBondContact OD2-NH2 3.06Å; D774-S780 PolarHBondContact O-OG 3.38Å
775	T	85.9	Confident	90	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.067	17%	0.166	C	C	.	.			trans	-108.9	7.7	-175.8	48	0	0	0	0	114.8	V772 G773 S780 A782	V772-T775 HydrophobicContact CG1-CG2 3.79Å; G773-T775 PolarHBondContact O-N 2.85Å; T775-S780 WeakPolarHBondContact CA-OG 3.48Å; T775-A782 HydrophobicContact CG2-CB 3.62Å
776	D	80.7	Confident	90	Very high	101 Å²	101	32.8 Å²	32.8	54%	0.54	17%	0.17	S	C	.	.			trans	-99.1	-10	-177	-163.9	43.8	0	0	0	113.7	Y653	Y653-D776 WeakPolarHBondContact O-CB 3.26Å
777	R	85.8	Confident	90	Very high	77 Å²	77	33.4 Å²	33.4	29%	0.291	18%	0.177	S	C	.	.	S	Bend	trans	-71.8	146.2	177.3	-63.5	-173.2	-69.4	128	-3	110.5	M692 D748 D774 G779 S780	M692-R777 PolarHBondContact O-NH2 3.13Å; D748-R777 VanDerWaalsContact CG-NH2 3.31Å; D748-R777 IonicContact OD1-CZ 3.51Å; D748-R777 IonicContact OD1-NH1 2.76Å; D748-R777 PolarHBondContact OD1-NH1 3.02Å; D748-R777 IonicContact OD1-NH2 3.36Å; D748-R777 PolarHBondContact OD1-NH2 2.9Å; D748-R777 IonicContact OD2-CZ 3.96Å; D748-R777 IonicContact OD2-NH1 3.39Å; D748-R777 PolarHBondContact OD2-NH1 2.92Å; D748-R777 IonicContact OD2-NH2 3.53Å; D748-R777 PolarHBondContact OD2-NH2 3.41Å; D774-R777 IonicContact OD1-CZ 3.48Å; D774-R777 IonicContact OD1-NE 3.34Å; D774-R777 PolarHBondContact OD1-NE 3.35Å; D774-R777 IonicContact OD1-NH2 2.7Å; D774-R777 PolarHBondContact OD1-NH2 3.12Å; D774-R777 IonicContact OD2-CZ 3.13Å; D774-R777 IonicContact OD2-NE 3.52Å; D774-R777 IonicContact OD2-NH2 3.21Å; D774-R777 PolarHBondContact OD2-NH2 3.06Å; R777-G779 PolarHBondContact O-N 2.85Å; R777-G779 VanDerWaalsContact O-N 3.1Å; R777-S780 WeakPolarHBondContact O-CA 3.43Å; R777-S780 WeakPolarHBondContact O-CB 3.49Å; R777-S780 PolarHBondContact O-N 3.05Å
778	Q	83.9	Confident	90	Very high	188 Å²	188	36 Å²	36	88%	0.879	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	118.6	178	-173.5	-177.8	3.3	0	0	111.2	M692 S780	M692-Q778 WeakPolarHBondContact CE-O 3.03Å; Q778-S780 VanDerWaalsContact C-N 3.3Å
779	G	86.3	Confident	90.2	Very high	33 Å²	33	35.6 Å²	35.6	34%	0.34	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-1	-176.9	0	0	0	0	0	114.8	R777	R777-G779 PolarHBondContact O-N 2.85Å; R777-G779 VanDerWaalsContact O-N 3.1Å
780	S	90.4	Very high	90.4	Very high	11 Å²	11	36 Å²	36	8%	0.077	19%	0.19	C	C	.	.			trans	-77.4	124.5	171.5	-176.9	0	0	0	0	111	K691 M692 S693 D774 T775 R777 Q778	K691-S780 CarbonylContact O-C 3.51Å; K691-S780 VanDerWaalsContact O-CA 3.27Å; K691-S780 WeakPolarHBondContact O-CA 3.34Å; M692-S780 WeakPolarHBondContact O-CB 3.4Å; M692-S780 PolarHBondContact O-OG 3.34Å; S693-S780 VanDerWaalsContact CB-OG 3.23Å; S693-S780 WeakPolarHBondContact CB-OG 3.23Å; S693-S780 PolarHBondContact OG-OG 3.31Å; D774-S780 PolarHBondContact O-OG 3.38Å; T775-S780 WeakPolarHBondContact CA-OG 3.48Å; R777-S780 WeakPolarHBondContact O-CA 3.43Å; R777-S780 WeakPolarHBondContact O-CB 3.49Å; R777-S780 PolarHBondContact O-N 3.05Å; Q778-S780 VanDerWaalsContact C-N 3.3Å
781	E	91.8	Very high	90.6	Very high	81 Å²	81	36 Å²	36	38%	0.379	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.2	-179.9	-61.7	169.8	-127.6	0	0	109.1	K691 W752	K691-E781 HydrophobicContact CB-CB 4.41Å; K691-E781 PolarHBondContact N-O 2.92Å; K691-E781 IonicContact NZ-OE1 2.66Å; K691-E781 PolarHBondContact NZ-OE1 3.44Å; K691-E781 PolarHBondContact O-N 3.35Å; W752-E781 HydrophobicContact CH2-CB 3.7Å; W752-E781 HydrophobicContact CZ2-CB 4.23Å; W752-E781 WeakPolarHBondContact CZ2-OE2 3.19Å
782	A	92.2	Very high	90.8	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.6	172.7	0	0	0	0	0	111.7	V650 Y688 F689 T775	V650-A782 PolarHBondContact N-O 2.89Å; Y688-A782 HydrophobicContact CE1-CB 4.47Å; Y688-A782 HydrophobicContact CE2-CB 3.72Å; Y688-A782 WeakPolarHBondContact OH-CB 3.26Å; F689-A782 CarbonylContact O-C 3.56Å; F689-A782 VanDerWaalsContact O-CA 3.29Å; F689-A782 WeakPolarHBondContact O-CA 3.4Å; T775-A782 HydrophobicContact CG2-CB 3.62Å
783	K	93.3	Very high	90.7	Very high	66 Å²	66	37.9 Å²	37.9	29%	0.287	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	169.9	-54.2	-176.1	-176.1	-179.4	0	109.6	Q647 T648 F689 W752	Q647-K783 HydrophobicContact CB-CB 4.5Å; Q647-K783 HydrophobicContact CB-CD 4.26Å; T648-K783 CarbonylContact O-C 3.38Å; T648-K783 VanDerWaalsContact O-CA 3.3Å; T648-K783 WeakPolarHBondContact O-CA 3.47Å; F689-K783 HydrophobicContact CB-CB 4.31Å; F689-K783 HydrophobicContact CD1-CD 4.45Å; F689-K783 PolarHBondContact N-O 3.31Å; F689-K783 PolarHBondContact O-N 3.03Å; W752-K783 HydrophobicContact CH2-CG 4.43Å
784	L	92.3	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.9	177.6	-75.2	171.4	0	0	0	111	Q647 T648 V650 Y688 W718 V770 V772	Q647-L784 CarbonylContact C-O 3.5Å; Q647-L784 WeakPolarHBondContact CA-O 3.42Å; T648-L784 PolarHBondContact N-O 3.34Å; T648-L784 PolarHBondContact O-N 2.83Å; V650-L784 HydrophobicContact CG2-CB 4.23Å; V650-L784 HydrophobicContact CG2-CD1 3.54Å; V650-L784 HydrophobicContact CG2-CG 3.67Å; Y688-L784 HydrophobicContact CD2-CD2 3.66Å; Y688-L784 HydrophobicContact CD2-CG 4.5Å; Y688-L784 HydrophobicContact CE2-CD2 4.35Å; W718-L784 HydrophobicContact CH2-CD2 4.15Å; W718-L784 HydrophobicContact CZ2-CD2 4.31Å; V770-L784 HydrophobicContact CB-CD1 3.9Å; V770-L784 HydrophobicContact CG1-CD1 3.61Å; V770-L784 HydrophobicContact CG1-CD2 3.81Å; V770-L784 HydrophobicContact CG1-CG 4.39Å; V772-L784 HydrophobicContact CG2-CD1 3.8Å; V772-L784 HydrophobicContact CG2-CG 4.41Å
785	S	93.4	Very high	91.2	Very high	16 Å²	16	43.1 Å²	43.1	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.7	162.2	-58.2	0	0	0	0	108.9	Q647 V686 S687	Q647-S785 WeakPolarHBondContact CA-OG 3.33Å; Q647-S785 PolarHBondContact N-OG 3.42Å; V686-S785 CarbonylContact C-O 3.55Å; V686-S785 WeakPolarHBondContact CA-O 3.37Å; S687-S785 PolarHBondContact N-O 2.8Å; S687-S785 PolarHBondContact O-N 3.49Å
786	V	95.1	Very high	91.5	Very high	13 Å²	13	45 Å²	45	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.5	168	-175.3	0	0	0	0	106.8	H642 L644 L663 Q684 Y685 V686 V767 V770	H642-V786 PolarHBondContact CE1-O 2.97Å; H642-V786 PolarHBondContact NE2-O 2.94Å; H642-V786 VanDerWaalsContact NE2-O 3.13Å; L644-V786 HydrophobicContact CD2-CB 4.06Å; L644-V786 HydrophobicContact CD2-CG2 3.96Å; L663-V786 HydrophobicContact CD2-CB 3.85Å; L663-V786 HydrophobicContact CD2-CG1 3.61Å; L663-V786 HydrophobicContact CD2-CG2 4.17Å; Q684-V786 HydrophobicContact CG-CG1 4.17Å; Y685-V786 CarbonylContact O-C 3.24Å; Y685-V786 WeakPolarHBondContact O-CA 3.49Å; V686-V786 HydrophobicContact CG1-CG1 4.27Å; V686-V786 HydrophobicContact CG1-CG2 4.36Å; V767-V786 HydrophobicContact CB-CG1 4.31Å; V770-V786 HydrophobicContact CG2-CG2 4.1Å
787	G	94.5	Very high	92	Very high	14 Å²	14	40.6 Å²	40.6	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	170.1	174.8	0	0	0	0	0	111.8	H642 Q684 Y685	H642-G787 PolarHBondContact NE2-O 2.88Å; H642-G787 VanDerWaalsContact NE2-O 3.17Å; Q684-G787 VanDerWaalsContact CG-O 3.29Å; Q684-G787 WeakPolarHBondContact CG-O 3.38Å; Q684-G787 PolarHBondContact NE2-O 2.83Å; Y685-G787 PolarHBondContact O-N 3Å
788	P	96.1	Very high	92.1	Very high	54 Å²	54	37.5 Å²	37.5	35%	0.351	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	155	175.9	30.3	-36.4	0	0	0	111	I639 V640 R790	I639-P788 HydrophobicContact CG2-CB 3.65Å; I639-P788 HydrophobicContact CG2-CG 3.81Å; V640-P788 WeakPolarHBondContact O-CA 3.39Å; V640-P788 VanDerWaalsContact O-CB 3.29Å; V640-P788 WeakPolarHBondContact O-CB 3.35Å; P788-R790 HydrophobicContact CG-CG 4.49Å
789	L	97.2	Very high	92.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.4	168.5	176.9	69.4	0	0	0	108.5	I639 V640 I672 T676 C682 L765 P766	I639-L789 WeakPolarHBondContact CA-O 3.42Å; V640-L789 HydrophobicContact CB-CB 4.43Å; V640-L789 PolarHBondContact N-O 2.86Å; V640-L789 PolarHBondContact O-N 3.35Å; I672-L789 HydrophobicContact CG2-CD2 3.42Å; I672-L789 VanDerWaalsContact CG2-CD2 3.42Å; T676-L789 HydrophobicContact CG2-CD2 3.8Å; C682-L789 HydrophobicContact CB-CD1 4.42Å; L765-L789 HydrophobicContact CB-CD1 3.97Å; L765-L789 HydrophobicContact CD1-CD1 4.17Å; P766-L789 HydrophobicContact CB-CB 4.39Å; P766-L789 HydrophobicContact CB-CD1 4.28Å; P766-L789 HydrophobicContact CB-CD2 4.13Å; P766-L789 HydrophobicContact CB-CG 4.5Å; P766-L789 HydrophobicContact CG-CD2 4.5Å
790	R	96.7	Very high	92.9	Very high	63 Å²	63	27.4 Å²	27.4	24%	0.238	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.7	179	-57.3	175.6	67	-156.9	5.2	109	W637 I639 C682 E683 P788	W637-R790 HydrophobicContact CE3-CB 3.61Å; W637-R790 HydrophobicContact CZ3-CB 3.72Å; I639-R790 HydrophobicContact CD1-CG 4.46Å; I639-R790 HydrophobicContact CG1-CG 4.22Å; I639-R790 HydrophobicContact CG2-CG 4.34Å; C682-R790 CarbonylContact C-O 3.52Å; C682-R790 VanDerWaalsContact CA-O 3.28Å; C682-R790 WeakPolarHBondContact CA-O 3.33Å; E683-R790 HydrophobicContact CG-CB 4.1Å; E683-R790 PolarHBondContact N-O 3Å; E683-R790 PolarHBondContact O-N 3.32Å; E683-R790 IonicContact OE1-CZ 2.8Å; E683-R790 IonicContact OE1-NH1 2.76Å; E683-R790 PolarHBondContact OE1-NH1 3.28Å; P788-R790 HydrophobicContact CG-CG 4.49Å
791	C	96.8	Very high	92.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.6	177.2	-68.4	0	0	0	0	110.4	W637 T638 I675 A679 Y681 C682	W637-C791 CarbonylContact C-O 3.55Å; W637-C791 VanDerWaalsContact CA-O 3.29Å; W637-C791 WeakPolarHBondContact CA-O 3.27Å; T638-C791 PolarHBondContact N-O 2.72Å; T638-C791 PolarHBondContact O-N 3.39Å; I675-C791 HydrophobicContact CG2-CB 4.02Å; A679-C791 HydrophobicContact CB-CB 3.72Å; Y681-C791 CarbonylContact O-C 3.56Å; Y681-C791 WeakPolarHBondContact O-CA 3.43Å; C682-C791 HydrophobicContact CB-CB 4.17Å; C682-C791 WeakPolarHBondContact CB-SG 3.15Å; C682-C791 WeakPolarHBondContact SG-CB 3.36Å; C682-C791 CovalentContact SG-SG 2.05Å; C682-C791 PolarHBondContact SG-SG 2.82Å
792	Q	93.4	Very high	92.7	Very high	24 Å²	24	24 Å²	24	11%	0.112	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.7	176.2	55.2	148.5	73.6	0	0	112.2	K635 V636 W637 E680 Y681	K635-Q792 VanDerWaalsContact CE-OE1 3.3Å; V636-Q792 VanDerWaalsContact O-CA 3.22Å; V636-Q792 WeakPolarHBondContact O-CA 3.46Å; V636-Q792 VanDerWaalsContact O-CB 3.31Å; V636-Q792 WeakPolarHBondContact O-CB 3.4Å; W637-Q792 HydrophobicContact CD2-CB 4.03Å; W637-Q792 HydrophobicContact CD2-CG 4.48Å; W637-Q792 HydrophobicContact CE3-CB 3.94Å; W637-Q792 HydrophobicContact CE3-CG 4.19Å; W637-Q792 HydrophobicContact CH2-CG 3.97Å; W637-Q792 HydrophobicContact CZ2-CG 4.22Å; W637-Q792 HydrophobicContact CZ3-CB 4.22Å; W637-Q792 HydrophobicContact CZ3-CG 3.94Å; E680-Q792 PolarHBondContact N-O 2.81Å; Y681-Q792 HydrophobicContact CD1-CG 4Å; Y681-Q792 PolarHBondContact N-O 3.02Å; Y681-Q792 PolarHBondContact O-N 3.11Å
793	G	88.1	Confident	92.5	Very high	21 Å²	21	24 Å²	24	22%	0.216	12%	0.124	C	C	.	.			trans	79.2	159.2	-173.9	0	0	0	0	0	112.1	A679	A679-G793 WeakPolarHBondContact CA-O 3.47Å
794	D	91.4	Very high	91.9	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	13%	0.131	C	C	.	.			trans	-144.5	98.5	177.3	-178.2	-13.3	0	0	0	109.2	S598 E600 N796 Y797 W798	S598-D794 WeakPolarHBondContact CB-OD2 3.31Å; S598-D794 PolarHBondContact OG-OD2 2.82Å; E600-D794 HydrophobicContact CB-CB 3.8Å; E600-D794 HydrophobicContact CG-CB 4.2Å; D794-N796 PolarHBondContact O-N 2.68Å; D794-N796 WeakPolarHBondContact OD1-CA 3.34Å; D794-N796 WeakPolarHBondContact OD1-CB 3.17Å; D794-N796 PolarHBondContact OD1-N 3.18Å; D794-Y797 VanDerWaalsContact CG-CB 3.43Å; D794-Y797 PolarHBondContact O-N 2.73Å; D794-Y797 PolarHBondContact OD1-N 2.85Å; D794-Y797 WeakPolarHBondContact OD2-CB 3.48Å; D794-W798 PolarHBondContact O-N 3.15Å; D794-W798 VanDerWaalsContact O-N 3.08Å
795	R	90.2	Very high	91.1	Very high	116 Å²	116	26.2 Å²	26.2	44%	0.438	14%	0.143	S	C	.	.	H	α-helix	trans	-64.6	-31.4	179.6	-63.1	-178.4	77.6	-174.6	1.9	111.3	S678 E680 W798 N799	S678-R795 WeakPolarHBondContact O-CB 3.43Å; S678-R795 WeakPolarHBondContact O-CG 3.36Å; S678-R795 PolarHBondContact O-N 2.85Å; E680-R795 HydrophobicContact CG-CG 3.93Å; R795-W798 PolarHBondContact O-N 2.99Å; R795-N799 WeakPolarHBondContact O-CA 3.44Å; R795-N799 WeakPolarHBondContact O-CB 3.43Å; R795-N799 PolarHBondContact O-N 3.4Å
796	N	92.4	Very high	90	Very high	50 Å²	50	28.3 Å²	28.3	27%	0.267	16%	0.156	S	C	.	.	H	α-helix	trans	-70.9	-37.4	179.1	-68.9	-20.6	0	0	0	111.6	S678 D794 S939 T946	S678-N796 WeakPolarHBondContact CB-ND2 3.41Å; D794-N796 PolarHBondContact O-N 2.68Å; D794-N796 WeakPolarHBondContact OD1-CA 3.34Å; D794-N796 WeakPolarHBondContact OD1-CB 3.17Å; D794-N796 PolarHBondContact OD1-N 3.18Å; N796-S939 WeakPolarHBondContact O-CB 3.47Å; N796-S939 PolarHBondContact O-OG 2.97Å; N796-T946 HydrophobicContact CB-CG2 4.07Å
797	Y	90.6	Very high	89.1	Confident	9 Å²	9	32.2 Å²	32.2	4%	0.035	18%	0.184	C	C	.	.	H	α-helix	trans	-69.8	-39.2	175.5	-171.7	-99.5	0	0	0	112.1	E600 A601 H604 D794 R938	E600-Y797 HydrophobicContact CG-CD1 3.86Å; E600-Y797 HydrophobicContact CG-CE1 4.4Å; E600-Y797 HydrophobicContact CG-CG 4.38Å; A601-Y797 HydrophobicContact CB-CD2 4.11Å; A601-Y797 HydrophobicContact CB-CE2 4.03Å; H604-Y797 HydrophobicContact CB-CE1 4.45Å; H604-Y797 VanDerWaalsContact CB-OH 3.23Å; H604-Y797 WeakPolarHBondContact CB-OH 3.39Å; H604-Y797 AromaticContact CD2-CD1 3.98Å; H604-Y797 AromaticContact CD2-CE1 3.1Å; H604-Y797 WeakPolarHBondContact CD2-CE1 3.46Å; H604-Y797 AromaticContact CD2-CZ 3.49Å; H604-Y797 VanDerWaalsContact CD2-CZ 3.49Å; H604-Y797 AromaticContact CG-CE1 3.82Å; H604-Y797 AromaticContact CG-CZ 3.89Å; H604-Y797 AromaticContact NE2-CE1 3.67Å; D794-Y797 VanDerWaalsContact CG-CB 3.43Å; D794-Y797 PolarHBondContact O-N 2.73Å; D794-Y797 PolarHBondContact OD1-N 2.85Å; D794-Y797 WeakPolarHBondContact OD2-CB 3.48Å; Y797-R938 WeakPolarHBondContact O-CD 3.47Å; Y797-R938 VanDerWaalsContact O-CG 3.29Å; Y797-R938 WeakPolarHBondContact O-CG 3.32Å; Y797-R938 PolarHBondContact O-NH1 2.9Å; Y797-R938 PolarHBondContact OH-NH2 2.89Å
798	W	88.9	Confident	88.2	Confident	13 Å²	13	32.3 Å²	32.3	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-91	-9.5	-177.9	-65.1	119.9	0	0	0	115.4	E600 H604 D794 R795 A800 H966 H985 G986	E600-W798 HydrophobicContact CG-CZ2 4.37Å; H604-W798 AromaticContact CE1-CH2 3.5Å; H604-W798 AromaticContact CE1-CZ2 3.49Å; H604-W798 VanDerWaalsContact CE1-CZ2 3.49Å; H604-W798 WeakPolarHBondContact CE1-CZ2 3.28Å; H604-W798 AromaticContact NE2-CH2 3.51Å; H604-W798 AromaticContact NE2-CZ2 3.13Å; H604-W798 WeakPolarHBondContact NE2-CZ2 3.41Å; D794-W798 PolarHBondContact O-N 3.15Å; D794-W798 VanDerWaalsContact O-N 3.08Å; R795-W798 PolarHBondContact O-N 2.99Å; W798-A800 WeakPolarHBondContact O-CB 3.41Å; W798-A800 PolarHBondContact O-N 3.38Å; W798-H966 AromaticContact CE3-CE1 3.93Å; W798-H966 AromaticContact CZ3-CE1 3.4Å; W798-H966 VanDerWaalsContact CZ3-CE1 3.4Å; W798-H966 WeakPolarHBondContact CZ3-CE1 3.19Å; W798-H966 AromaticContact CZ3-ND1 3.6Å; W798-H985 HydrophobicContact CD2-CB 4.43Å; W798-H985 HydrophobicContact CG-CB 4.27Å; W798-H985 VanDerWaalsContact CZ2-O 3.31Å; W798-H985 WeakPolarHBondContact CZ2-O 3.14Å; W798-G986 VanDerWaalsContact CH2-CA 3.47Å
799	N	92.7	Very high	87.8	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.032	19%	0.185	C	C	.	.			trans	-56.9	106.3	178.4	167.3	33.8	0	0	0	111.4	R795 R938 S939 T946 L947 L949 E950	R795-N799 WeakPolarHBondContact O-CA 3.44Å; R795-N799 WeakPolarHBondContact O-CB 3.43Å; R795-N799 PolarHBondContact O-N 3.4Å; N799-R938 CarbonylContact O-C 3.56Å; N799-R938 VanDerWaalsContact O-CA 3.32Å; N799-R938 WeakPolarHBondContact O-CA 3.45Å; N799-R938 WeakPolarHBondContact O-CG 3.3Å; N799-S939 PolarHBondContact O-N 2.78Å; N799-T946 WeakPolarHBondContact ND2-CG2 2.94Å; N799-L947 PolarHBondContact ND2-O 2.95Å; N799-L949 WeakPolarHBondContact OD1-CA 3.48Å; N799-L949 WeakPolarHBondContact OD1-CB 3.48Å; N799-L949 PolarHBondContact OD1-N 2.96Å; N799-E950 PolarHBondContact OD1-N 2.78Å
800	A	92.9	Very high	87.5	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.5	-170.7	0	0	0	0	0	112.5	W798 I937 R938 G962 C963	W798-A800 WeakPolarHBondContact O-CB 3.41Å; W798-A800 PolarHBondContact O-N 3.38Å; A800-I937 VanDerWaalsContact CA-O 3.29Å; A800-I937 WeakPolarHBondContact CA-O 3.41Å; A800-R938 HydrophobicContact CB-CB 3.76Å; A800-R938 HydrophobicContact CB-CG 3.82Å; A800-G962 PolarHBondContact O-N 3.39Å; A800-C963 HydrophobicContact CB-CB 4.37Å
801	A	90.9	Very high	87.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.3	170.8	0	0	0	0	0	111.1	F803 L810 I937 L949 A953	A801-F803 HydrophobicContact CB-CE2 4.16Å; A801-F803 HydrophobicContact CB-CZ 4.41Å; A801-F803 WeakPolarHBondContact O-CE2 3.23Å; A801-L810 HydrophobicContact CB-CD1 3.99Å; A801-I937 PolarHBondContact N-O 3.14Å; A801-I937 PolarHBondContact O-N 2.78Å; A801-I937 VanDerWaalsContact O-N 3.14Å; A801-L949 HydrophobicContact CB-CB 3.89Å; A801-A953 HydrophobicContact CB-CB 4Å
802	S	88.5	Confident	87.1	Confident	22 Å²	22	35.2 Å²	35.2	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.2	171.3	-65	0	0	0	0	110.5	P804 C936 I960 G962	S802-P804 VanDerWaalsContact O-CD 3.27Å; S802-P804 WeakPolarHBondContact O-CD 3.33Å; S802-C936 PolarHBondContact OG-SG 3.3Å; S802-I960 PolarHBondContact N-O 2.88Å; S802-G962 PolarHBondContact N-O 3.15Å; S802-G962 PolarHBondContact OG-O 2.84Å
803	F	87.9	Confident	87	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	90.9	177.4	-63.7	-94.5	0	0	0	108.6	A801 N805 L810 V924 F933 L934 G935 I937 F959	A801-F803 HydrophobicContact CB-CE2 4.16Å; A801-F803 HydrophobicContact CB-CZ 4.41Å; A801-F803 WeakPolarHBondContact O-CE2 3.23Å; F803-N805 VanDerWaalsContact C-N 3.34Å; F803-N805 PolarHBondContact O-N 2.86Å; F803-L810 HydrophobicContact CE1-CD1 4.36Å; F803-L810 HydrophobicContact CE1-CG 4.01Å; F803-L810 HydrophobicContact CZ-CD1 4.07Å; F803-L810 HydrophobicContact CZ-CG 4.22Å; F803-V924 WeakPolarHBondContact CE1-O 3.48Å; F803-V924 HydrophobicContact CZ-CG1 4.03Å; F803-F933 HydrophobicContact CB-CD1 4.34Å; F803-F933 VanDerWaalsContact CB-O 3.24Å; F803-F933 WeakPolarHBondContact CB-O 3.45Å; F803-F933 HydrophobicContact CD2-CD1 4.07Å; F803-F933 HydrophobicContact CD2-CE1 4.3Å; F803-F933 HydrophobicContact CG-CD1 4.28Å; F803-L934 WeakPolarHBondContact O-CA 3.37Å; F803-G935 PolarHBondContact N-O 2.04Å; F803-G935 PolarHBondContact O-N 2.81Å; F803-I937 HydrophobicContact CD2-CD1 4.42Å; F803-I937 HydrophobicContact CD2-CG1 4.24Å; F803-I937 HydrophobicContact CE2-CB 3.91Å; F803-I937 HydrophobicContact CE2-CD1 3.88Å; F803-I937 HydrophobicContact CE2-CG1 3.84Å; F803-I937 HydrophobicContact CZ-CD1 4.27Å; F803-F959 AromaticContact CD1-CE1 3.8Å; F803-F959 HydrophobicContact CD1-CE1 3.8Å; F803-F959 AromaticContact CE1-CE1 3.92Å; F803-F959 HydrophobicContact CE1-CE1 3.92Å
804	P	79.8	Confident	87.2	Confident	64 Å²	64	39.9 Å²	39.9	42%	0.416	22%	0.22	S	C	.	.			trans	-79.4	-17	-167.9	30.9	-36.3	0	0	0	113.5	S802 G958	S802-P804 VanDerWaalsContact O-CD 3.27Å; S802-P804 WeakPolarHBondContact O-CD 3.33Å; P804-G958 WeakPolarHBondContact CG-O 3.38Å
805	N	76	Confident	87.1	Confident	50 Å²	50	40.4 Å²	40.4	27%	0.267	22%	0.221	S	C	.	.	S	Bend	trans	-136.8	146.9	-180	69.7	78	0	0	0	111.1	F803 S807 S808	F803-N805 VanDerWaalsContact C-N 3.34Å; F803-N805 PolarHBondContact O-N 2.86Å; N805-S807 PolarHBondContact O-N 2.63Å; N805-S807 VanDerWaalsContact O-N 3.1Å; N805-S807 VanDerWaalsContact OD1-C 3.3Å; N805-S807 WeakPolarHBondContact OD1-CA 3.27Å; N805-S807 PolarHBondContact OD1-N 3.19Å; N805-S807 VanDerWaalsContact OD1-N 3.12Å; N805-S807 PolarHBondContact OD1-OG 3.11Å; N805-S808 WeakPolarHBondContact ND2-CB 3.33Å; N805-S808 PolarHBondContact ND2-OG 3.04Å; N805-S808 WeakPolarHBondContact O-CB 3.46Å; N805-S808 PolarHBondContact O-N 3.43Å; N805-S808 VanDerWaalsContact O-N 3.11Å; N805-S808 VanDerWaalsContact OD1-CB 3.29Å; N805-S808 WeakPolarHBondContact OD1-CB 3.39Å; N805-S808 PolarHBondContact OD1-N 2.95Å; N805-S808 PolarHBondContact OD1-OG 3.07Å
806	P	70.8	Confident	86.8	Confident	59 Å²	59	43.4 Å²	43.4	38%	0.383	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.3	-177.7	-18.6	32.4	0	0	0	114.7	G932 L934	P806-G932 WeakPolarHBondContact O-CA 3.09Å; P806-G932 PolarHBondContact O-N 3.46Å; P806-L934 HydrophobicContact CG-CD1 4.16Å
807	S	75.8	Confident	86.1	Confident	96 Å²	96	41.4 Å²	41.4	67%	0.671	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.7	175.3	46.2	0	0	0	0	113.1	N805	N805-S807 PolarHBondContact O-N 2.63Å; N805-S807 VanDerWaalsContact O-N 3.1Å; N805-S807 VanDerWaalsContact OD1-C 3.3Å; N805-S807 WeakPolarHBondContact OD1-CA 3.27Å; N805-S807 PolarHBondContact OD1-N 3.19Å; N805-S807 VanDerWaalsContact OD1-N 3.12Å; N805-S807 PolarHBondContact OD1-OG 3.11Å
808	S	75.6	Confident	85.6	Confident	15 Å²	15	46 Å²	46	11%	0.105	25%	0.253	C	S	.	.			trans	-87.7	128.9	-176.4	-100.9	0	0	0	0	109.9	N805 G925 F959	N805-S808 WeakPolarHBondContact ND2-CB 3.33Å; N805-S808 PolarHBondContact ND2-OG 3.04Å; N805-S808 WeakPolarHBondContact O-CB 3.46Å; N805-S808 PolarHBondContact O-N 3.43Å; N805-S808 VanDerWaalsContact O-N 3.11Å; N805-S808 VanDerWaalsContact OD1-CB 3.29Å; N805-S808 WeakPolarHBondContact OD1-CB 3.39Å; N805-S808 PolarHBondContact OD1-N 2.95Å; N805-S808 PolarHBondContact OD1-OG 3.07Å; S808-G925 CarbonylContact O-C 3.58Å; S808-G925 VanDerWaalsContact O-O 3.13Å; S808-F959 WeakPolarHBondContact OG-CZ 3.48Å
809	Y	87.6	Confident	85.2	Confident	106 Å²	106	48.4 Å²	48.4	42%	0.416	27%	0.269	S	S	.	.			trans	-136	152.3	169.7	57.1	-93.2	0	0	0	110.9	F923 V924 F959	Y809-F923 AromaticContact CD2-CD1 3.48Å; Y809-F923 HydrophobicContact CD2-CD1 3.48Å; Y809-F923 VanDerWaalsContact CD2-CD1 3.48Å; Y809-F923 AromaticContact CD2-CE1 3.96Å; Y809-F923 HydrophobicContact CD2-CE1 3.96Å; Y809-F923 AromaticContact CE2-CD1 3.67Å; Y809-F923 HydrophobicContact CE2-CD1 3.67Å; Y809-F923 AromaticContact CE2-CE1 3.63Å; Y809-F923 HydrophobicContact CE2-CE1 3.63Å; Y809-F923 HydrophobicContact CG-CD1 4.12Å; Y809-V924 CarbonylContact C-O 3.33Å; Y809-V924 VanDerWaalsContact CA-O 3.25Å; Y809-V924 WeakPolarHBondContact CA-O 3.5Å; Y809-V924 WeakPolarHBondContact CB-O 3.23Å; Y809-F959 VanDerWaalsContact O-CZ 3.27Å; Y809-F959 WeakPolarHBondContact O-CZ 3.12Å
810	L	91.1	Very high	84.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.9	164.7	-57.8	-179.8	0	0	0	108.3	A801 F803 F812 V924 L949 R952 T956 F959	A801-L810 HydrophobicContact CB-CD1 3.99Å; F803-L810 HydrophobicContact CE1-CD1 4.36Å; F803-L810 HydrophobicContact CE1-CG 4.01Å; F803-L810 HydrophobicContact CZ-CD1 4.07Å; F803-L810 HydrophobicContact CZ-CG 4.22Å; L810-F812 HydrophobicContact CB-CE2 4Å; L810-V924 PolarHBondContact N-O 2.73Å; L810-V924 PolarHBondContact O-N 3.05Å; L810-L949 HydrophobicContact CD1-CD2 4.34Å; L810-R952 HydrophobicContact CB-CG 4.11Å; L810-R952 HydrophobicContact CD1-CB 4.47Å; L810-R952 HydrophobicContact CD1-CG 4.2Å; L810-R952 HydrophobicContact CD2-CG 4.14Å; L810-R952 HydrophobicContact CG-CG 4.37Å; L810-T956 HydrophobicContact CD2-CG2 4.23Å; L810-F959 HydrophobicContact CD2-CD1 3.58Å; L810-F959 HydrophobicContact CD2-CD2 4.05Å; L810-F959 HydrophobicContact CD2-CE1 3.5Å; L810-F959 VanDerWaalsContact CD2-CE1 3.5Å; L810-F959 HydrophobicContact CD2-CE2 3.98Å; L810-F959 HydrophobicContact CD2-CG 3.84Å; L810-F959 HydrophobicContact CD2-CZ 3.7Å; L810-F959 HydrophobicContact CG-CD1 4.15Å; L810-F959 HydrophobicContact CG-CE1 3.85Å; L810-F959 HydrophobicContact CG-CZ 4.32Å
811	H	90.4	Very high	84.9	Confident	62 Å²	62	49.2 Å²	49.2	29%	0.287	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.5	177.2	62.6	-87.1	0	0	0	110.7	Q921 L922 F923 R952	H811-Q921 HydrophobicContact CB-CB 4.47Å; H811-Q921 PolarHBondContact CD2-NE2 3.37Å; H811-L922 CarbonylContact C-O 3.4Å; H811-L922 VanDerWaalsContact CA-O 3.23Å; H811-L922 WeakPolarHBondContact CA-O 3.3Å; H811-F923 HydrophobicContact CB-CD1 4.46Å; H811-R952 PolarHBondContact NE2-NH1 2.86Å; H811-R952 PolarHBondContact O-NH1 2.93Å
812	F	93.4	Very high	85	Confident	13 Å²	13	49.8 Å²	49.8	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	172.9	175.7	-67.4	-92.5	0	0	0	110.2	L810 Q921 L922 V924 L947 L949 R952	L810-F812 HydrophobicContact CB-CE2 4Å; F812-Q921 WeakPolarHBondContact O-CA 3.34Å; F812-Q921 VanDerWaalsContact O-CB 3.29Å; F812-Q921 WeakPolarHBondContact O-CB 3.29Å; F812-L922 HydrophobicContact CB-CB 4.21Å; F812-L922 HydrophobicContact CB-CD2 4.2Å; F812-L922 PolarHBondContact N-O 3.41Å; F812-L922 PolarHBondContact O-N 3.4Å; F812-L922 VanDerWaalsContact O-N 3.14Å; F812-V924 HydrophobicContact CD2-CG2 3.83Å; F812-V924 HydrophobicContact CE2-CB 4.34Å; F812-V924 HydrophobicContact CE2-CG2 3.93Å; F812-L947 HydrophobicContact CD1-CB 4.28Å; F812-L947 HydrophobicContact CD1-CD1 4.31Å; F812-L947 HydrophobicContact CD1-CD2 4.28Å; F812-L947 HydrophobicContact CD2-CD1 4.25Å; F812-L947 HydrophobicContact CE1-CB 3.97Å; F812-L947 HydrophobicContact CG-CD1 4.1Å; F812-L947 HydrophobicContact CZ-CB 4.23Å; F812-L949 HydrophobicContact CE2-CD2 4.04Å; F812-L949 HydrophobicContact CZ-CD2 3.9Å; F812-R952 HydrophobicContact CE1-CB 4.21Å; F812-R952 HydrophobicContact CE1-CG 4.31Å; F812-R952 HydrophobicContact CE2-CG 4.47Å; F812-R952 HydrophobicContact CZ-CB 3.95Å; F812-R952 HydrophobicContact CZ-CG 3.94Å
813	S	92.6	Very high	85.3	Confident	95 Å²	95	48.8 Å²	48.8	66%	0.664	27%	0.271	S	S	*	.	S	Bend	trans	-56.7	153.5	168.9	48.2	0	0	0	0	110.5	F815	S813-F815 PolarHBondContact O-N 2.81Å
814	T	91.9	Very high	85.7	Confident	48 Å²	48	50 Å²	50	29%	0.294	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-51.3	132.7	174.5	-53.2	0	0	0	0	110.5	Q816 L918 S920	T814-Q816 PolarHBondContact O-N 2.78Å; T814-L918 HydrophobicContact CG2-CB 3.7Å; T814-S920 WeakPolarHBondContact CA-O 3.43Å; T814-S920 VanDerWaalsContact CB-O 3.3Å; T814-S920 WeakPolarHBondContact CB-O 3.45Å; T814-S920 WeakPolarHBondContact CG2-O 3.48Å; T814-S920 PolarHBondContact OG1-O 3.29Å
815	F	90.4	Very high	86.5	Confident	20 Å²	20	47.1 Å²	47.1	9%	0.088	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-65	130.4	179.5	174.5	-121.9	0	0	0	111.3	S813 A821 N839 L918 M942 N943	S813-F815 PolarHBondContact O-N 2.81Å; F815-A821 HydrophobicContact CE1-CB 3.6Å; F815-A821 HydrophobicContact CZ-CB 3.86Å; F815-N839 WeakPolarHBondContact CB-OD1 3.44Å; F815-N839 PolarHBondContact N-OD1 3.5Å; F815-L918 HydrophobicContact CB-CD1 4.14Å; F815-L918 HydrophobicContact CD1-CD1 4.06Å; F815-M942 HydrophobicContact CB-CE 4.17Å; F815-M942 HydrophobicContact CD1-CE 4.06Å; F815-M942 HydrophobicContact CD2-CB 4.19Å; F815-M942 HydrophobicContact CD2-CE 3.44Å; F815-M942 VanDerWaalsContact CD2-CE 3.44Å; F815-M942 HydrophobicContact CD2-SD 4.24Å; F815-M942 HydrophobicContact CE1-CE 4.31Å; F815-M942 HydrophobicContact CE2-CB 3.86Å; F815-M942 HydrophobicContact CE2-CE 3.75Å; F815-M942 HydrophobicContact CG-CE 3.61Å; F815-M942 HydrophobicContact CZ-CE 4.15Å; F815-N943 HydrophobicContact CE2-CB 4.3Å; F815-N943 WeakPolarHBondContact CE2-ND2 3.47Å; F815-N943 VanDerWaalsContact CZ-ND2 3.26Å; F815-N943 WeakPolarHBondContact CZ-ND2 3.48Å
816	Q	83.7	Confident	87.4	Confident	180 Å²	180	46.5 Å²	46.5	84%	0.841	26%	0.255	S	S	*	.			trans	-100.6	88.8	179	-65.7	-171.9	-14.6	0	0	110	T814 N943	T814-Q816 PolarHBondContact O-N 2.78Å; Q816-N943 PolarHBondContact O-ND2 2.88Å; Q816-N943 VanDerWaalsContact O-ND2 3.09Å
817	G	76.9	Confident	88.5	Confident	7 Å²	7	43.7 Å²	43.7	7%	0.072	24%	0.237	C	C	.	.			trans	-148.8	56.7	-177.5	0	0	0	0	0	112.6	T819 S820	G817-T819 PolarHBondContact O-N 2.77Å; G817-S820 CarbonylContact C-O 3.55Å; G817-S820 VanDerWaalsContact C-O 3.28Å; G817-S820 WeakPolarHBondContact CA-O 3.3Å
818	E	80.2	Confident	89.3	Confident	107 Å²	107	39.7 Å²	39.7	50%	0.5	21%	0.208	S	C	.	.	S	Bend	trans	-55.1	-55.8	-175.4	-72.8	-176.7	-150.8	0	0	111.6	R889 R915 L916	E818-R889 PolarHBondContact O-NH1 2.97Å; E818-R915 CarbonylContact O-C 3.47Å; E818-R915 VanDerWaalsContact O-CA 3.25Å; E818-R915 WeakPolarHBondContact O-CA 3.42Å; E818-R915 IonicContact OE2-NH1 3.71Å; E818-R915 PolarHBondContact OE2-NH1 3.47Å; E818-L916 PolarHBondContact O-N 2.79Å
819	T	80.4	Confident	90	Very high	62 Å²	62	39 Å²	39	38%	0.38	20%	0.203	S	C	.	.	S	Bend	trans	-100	-18.1	-174.7	53	0	0	0	0	114.1	G817	G817-T819 PolarHBondContact O-N 2.77Å
820	S	87.2	Confident	90.1	Very high	24 Å²	24	39.5 Å²	39.5	17%	0.168	21%	0.212	C	C	.	.			trans	-145.8	149.1	178.3	55	0	0	0	0	112.1	G817 R889 N943	G817-S820 CarbonylContact C-O 3.55Å; G817-S820 VanDerWaalsContact C-O 3.28Å; G817-S820 WeakPolarHBondContact CA-O 3.3Å; S820-R889 CarbonylContact C-O 3.54Å; S820-R889 WeakPolarHBondContact CA-O 3.1Å; S820-N943 PolarHBondContact O-ND2 2.84Å
821	A	92.1	Very high	89.9	Confident	1 Å²	1	41 Å²	41	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	116.8	173.6	0	0	0	0	0	109	F815 I846 E888 R889 N943	F815-A821 HydrophobicContact CE1-CB 3.6Å; F815-A821 HydrophobicContact CZ-CB 3.86Å; A821-I846 HydrophobicContact CB-CD1 3.85Å; A821-E888 CarbonylContact O-C 3.43Å; A821-E888 VanDerWaalsContact O-CA 3.26Å; A821-E888 WeakPolarHBondContact O-CA 3.46Å; A821-R889 HydrophobicContact CB-CB 4.34Å; A821-R889 PolarHBondContact N-O 3.47Å; A821-R889 PolarHBondContact O-N 3.41Å; A821-N943 WeakPolarHBondContact CA-OD1 3.45Å
822	D	93	Very high	89.9	Confident	13 Å²	13	40 Å²	40	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.3	168	164.2	44	0	0	0	108.9	H591 M942 N943	H591-D822 WeakPolarHBondContact NE2-CB 3.4Å; H591-D822 IonicContact NE2-OD2 3.34Å; D822-M942 CarbonylContact O-C 3.59Å; D822-M942 VanDerWaalsContact O-CA 3.23Å; D822-M942 WeakPolarHBondContact O-CA 3.43Å; D822-N943 PolarHBondContact N-OD1 2.89Å; D822-N943 PolarHBondContact O-N 3.49Å
823	I	95.4	Very high	89.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	121.7	-173.9	-54.9	175.4	0	0	0	107.5	F825 L837 I846 L848 T886 A887 L940 R941 M942	I823-F825 HydrophobicContact CG2-CD1 4.26Å; I823-F825 HydrophobicContact CG2-CE1 4.43Å; I823-L837 HydrophobicContact CD1-CD1 4.27Å; I823-L837 HydrophobicContact CG2-CD2 3.83Å; I823-I846 HydrophobicContact CD1-CD1 3.78Å; I823-I846 HydrophobicContact CD1-CG1 4.43Å; I823-L848 HydrophobicContact CB-CD1 4.12Å; I823-L848 HydrophobicContact CD1-CD1 4.18Å; I823-L848 HydrophobicContact CG2-CD1 3.7Å; I823-T886 WeakPolarHBondContact O-CA 3Å; I823-A887 PolarHBondContact N-O 3.23Å; I823-A887 PolarHBondContact O-N 2.86Å; I823-L940 HydrophobicContact CG2-CD1 4.21Å; I823-R941 WeakPolarHBondContact CA-O 3.31Å; I823-M942 HydrophobicContact CD1-CE 3.69Å; I823-M942 HydrophobicContact CG1-CE 3.82Å; I823-M942 HydrophobicContact CG1-CG 4.34Å; I823-M942 HydrophobicContact CG2-CG 4.31Å
824	S	95.5	Very high	89.7	Confident	28 Å²	28	40.7 Å²	40.7	20%	0.196	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142	175.1	57.5	0	0	0	0	111.8	V885 L940 R941	S824-V885 VanDerWaalsContact CA-O 3.26Å; S824-V885 WeakPolarHBondContact CA-O 3.37Å; S824-L940 WeakPolarHBondContact O-CA 2.98Å; S824-R941 PolarHBondContact N-O 2.78Å; S824-R941 PolarHBondContact O-N 2.79Å
825	F	96.7	Very high	89.8	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	170	175.7	60.2	-87.2	0	0	0	111.1	I823 F827 F836 L848 V885 I937 L940	I823-F825 HydrophobicContact CG2-CD1 4.26Å; I823-F825 HydrophobicContact CG2-CE1 4.43Å; F825-F827 HydrophobicContact CD2-CB 4.33Å; F825-F827 HydrophobicContact CE2-CB 4.18Å; F825-F827 HydrophobicContact CE2-CD1 4.11Å; F825-F836 HydrophobicContact CE1-CB 4.41Å; F825-F836 HydrophobicContact CE2-CB 4.08Å; F825-F836 AromaticContact CE2-CD1 3.75Å; F825-F836 HydrophobicContact CE2-CD1 3.75Å; F825-F836 HydrophobicContact CE2-CD2 4.09Å; F825-F836 HydrophobicContact CE2-CE1 4.11Å; F825-F836 HydrophobicContact CE2-CE2 4.44Å; F825-F836 AromaticContact CE2-CG 3.73Å; F825-F836 HydrophobicContact CE2-CG 3.73Å; F825-F836 HydrophobicContact CE2-CZ 4.44Å; F825-F836 HydrophobicContact CZ-CB 3.65Å; F825-F836 HydrophobicContact CZ-CD1 4.07Å; F825-F836 AromaticContact CZ-CD2 3.65Å; F825-F836 HydrophobicContact CZ-CD2 3.65Å; F825-F836 HydrophobicContact CZ-CE2 4.26Å; F825-F836 AromaticContact CZ-CG 3.53Å; F825-F836 HydrophobicContact CZ-CG 3.53Å; F825-L848 HydrophobicContact CE1-CD1 3.93Å; F825-V885 HydrophobicContact CD1-CB 4.45Å; F825-V885 HydrophobicContact CE1-CB 4Å; F825-V885 HydrophobicContact CE1-CG1 4.04Å; F825-V885 HydrophobicContact CE2-CB 4.08Å; F825-V885 HydrophobicContact CE2-CG2 4.07Å; F825-V885 HydrophobicContact CZ-CB 3.79Å; F825-V885 HydrophobicContact CZ-CG1 4.01Å; F825-V885 HydrophobicContact CZ-CG2 4.05Å; F825-V885 PolarHBondContact N-O 2.83Å; F825-V885 PolarHBondContact O-N 2.84Å; F825-I937 HydrophobicContact CB-CG2 4.18Å; F825-I937 HydrophobicContact CD2-CG2 4.04Å; F825-I937 HydrophobicContact CG-CG2 4.33Å; F825-L940 HydrophobicContact CB-CB 4.18Å; F825-L940 HydrophobicContact CB-CD1 3.8Å; F825-L940 HydrophobicContact CD1-CD1 3.74Å; F825-L940 HydrophobicContact CG-CD1 4.06Å
826	Y	95.1	Very high	90	Very high	37 Å²	37	37.6 Å²	37.6	15%	0.145	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.3	167.7	-62	-98.7	0	0	0	110.1	H883 R884 I937 R938	Y826-H883 CarbonylContact C-O 3.46Å; Y826-H883 WeakPolarHBondContact CA-O 3.36Å; Y826-R884 HydrophobicContact CD1-CB 3.83Å; Y826-R884 HydrophobicContact CD1-CG 4.42Å; Y826-R884 HydrophobicContact CE1-CB 3.62Å; Y826-R884 HydrophobicContact CE1-CG 3.98Å; Y826-I937 CarbonylContact O-C 3.55Å; Y826-I937 WeakPolarHBondContact O-CA 3.09Å; Y826-R938 PolarHBondContact N-O 2.9Å; Y826-R938 PolarHBondContact O-N 2.84Å
827	F	94.9	Very high	90.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.9	171.5	79.1	-85.3	0	0	0	112.1	F825 T829 F836 L850 V856 L877 W882 H883 V885 F933 C936	F825-F827 HydrophobicContact CD2-CB 4.33Å; F825-F827 HydrophobicContact CE2-CB 4.18Å; F825-F827 HydrophobicContact CE2-CD1 4.11Å; F827-T829 HydrophobicContact CD2-CG2 4.15Å; F827-T829 HydrophobicContact CE2-CG2 4.05Å; F827-F836 HydrophobicContact CB-CD1 4.38Å; F827-F836 HydrophobicContact CB-CE1 3.73Å; F827-F836 HydrophobicContact CB-CZ 4.42Å; F827-F836 AromaticContact CD1-CE1 3.85Å; F827-F836 HydrophobicContact CD1-CE1 3.85Å; F827-F836 AromaticContact CD1-CZ 3.66Å; F827-F836 HydrophobicContact CD1-CZ 3.66Å; F827-F836 AromaticContact CD2-CE1 3.67Å; F827-F836 HydrophobicContact CD2-CE1 3.67Å; F827-F836 AromaticContact CD2-CZ 3.8Å; F827-F836 HydrophobicContact CD2-CZ 3.8Å; F827-F836 HydrophobicContact CE1-CE1 4.38Å; F827-F836 HydrophobicContact CE1-CE2 4.48Å; F827-F836 AromaticContact CE1-CZ 3.75Å; F827-F836 HydrophobicContact CE1-CZ 3.75Å; F827-F836 HydrophobicContact CE2-CE1 4.23Å; F827-F836 AromaticContact CE2-CZ 3.9Å; F827-F836 HydrophobicContact CE2-CZ 3.9Å; F827-F836 HydrophobicContact CG-CD1 4.48Å; F827-F836 AromaticContact CG-CE1 3.45Å; F827-F836 HydrophobicContact CG-CE1 3.45Å; F827-F836 VanDerWaalsContact CG-CE1 3.45Å; F827-F836 AromaticContact CG-CZ 3.68Å; F827-F836 HydrophobicContact CG-CZ 3.68Å; F827-F836 AromaticContact CZ-CZ 3.87Å; F827-F836 HydrophobicContact CZ-CZ 3.87Å; F827-L850 HydrophobicContact CE2-CD2 4.47Å; F827-L850 HydrophobicContact CZ-CD1 4.43Å; F827-V856 HydrophobicContact CZ-CG2 4.5Å; F827-L877 HydrophobicContact CE2-CB 4.47Å; F827-L877 HydrophobicContact CZ-CB 4.09Å; F827-L877 HydrophobicContact CZ-CD1 4.48Å; F827-W882 WeakPolarHBondContact O-CA 3.49Å; F827-H883 HydrophobicContact CD1-CB 4.03Å; F827-H883 HydrophobicContact CE1-CB 3.56Å; F827-H883 HydrophobicContact CE2-CB 4.45Å; F827-H883 HydrophobicContact CZ-CB 3.8Å; F827-H883 PolarHBondContact N-O 2.76Å; F827-H883 PolarHBondContact O-N 3.28Å; F827-V885 HydrophobicContact CD1-CG2 3.77Å; F827-V885 HydrophobicContact CE1-CG2 3.61Å; F827-F933 HydrophobicContact CB-CE2 4.37Å; F827-F933 HydrophobicContact CB-CZ 3.97Å; F827-F933 AromaticContact CD2-CE2 3.98Å; F827-F933 HydrophobicContact CD2-CE2 3.98Å; F827-F933 HydrophobicContact CD2-CZ 4.22Å; F827-C936 CarbonylContact C-O 3.42Å; F827-C936 WeakPolarHBondContact CA-O 3.16Å
828	K	91.6	Very high	91.4	Very high	13 Å²	13	30 Å²	30	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.7	164.1	71.1	-175.6	-161.6	92.3	0	110.1	D880 Q881 W882 G935 C936 S964	K828-D880 IonicContact NZ-OD1 3.95Å; K828-D880 PolarHBondContact NZ-OD1 2.87Å; K828-D880 IonicContact NZ-OD2 2.77Å; K828-D880 PolarHBondContact NZ-OD2 2.92Å; K828-Q881 WeakPolarHBondContact CA-O 3.03Å; K828-Q881 WeakPolarHBondContact CB-O 3.02Å; K828-W882 HydrophobicContact CB-CD2 4.36Å; K828-W882 HydrophobicContact CB-CE3 4.25Å; K828-W882 HydrophobicContact CD-CD2 4.04Å; K828-W882 HydrophobicContact CD-CE3 4.47Å; K828-W882 HydrophobicContact CD-CG 4.49Å; K828-W882 HydrophobicContact CD-CH2 4.41Å; K828-W882 HydrophobicContact CD-CZ2 3.94Å; K828-W882 HydrophobicContact CG-CD2 4.38Å; K828-W882 HydrophobicContact CG-CE3 4.32Å; K828-W882 HydrophobicContact CG-CH2 4.44Å; K828-W882 HydrophobicContact CG-CZ2 4.45Å; K828-W882 HydrophobicContact CG-CZ3 4.37Å; K828-G935 WeakPolarHBondContact O-CA 3.21Å; K828-C936 HydrophobicContact CD-CB 4.33Å; K828-C936 HydrophobicContact CG-CB 3.68Å; K828-C936 PolarHBondContact N-O 3.44Å; K828-C936 PolarHBondContact O-N 2.9Å; K828-S964 WeakPolarHBondContact CE-O 3.29Å; K828-S964 PolarHBondContact NZ-O 3.19Å; K828-S964 VanDerWaalsContact NZ-O 3.11Å
829	T	91.1	Very high	92	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.13	C	C	.	.			trans	-156.8	160.4	-176.5	-174.1	0	0	0	0	111.2	F827 T831 L850 N878 D880 F933 L934	F827-T829 HydrophobicContact CD2-CG2 4.15Å; F827-T829 HydrophobicContact CE2-CG2 4.05Å; T829-T831 WeakPolarHBondContact CG2-O 3.4Å; T829-T831 WeakPolarHBondContact OG1-CB 3.18Å; T829-T831 PolarHBondContact OG1-N 2.98Å; T829-L850 HydrophobicContact CG2-CD2 3.9Å; T829-N878 HydrophobicContact CG2-CB 4.04Å; T829-N878 CarbonylContact O-C 3.29Å; T829-N878 WeakPolarHBondContact O-CA 3.32Å; T829-D880 PolarHBondContact O-N 2.87Å; T829-D880 VanDerWaalsContact O-N 3.07Å; T829-F933 HydrophobicContact CG2-CE2 4.05Å; T829-L934 WeakPolarHBondContact CB-O 3.27Å; T829-L934 PolarHBondContact OG1-O 2.84Å
830	L	88.4	Confident	92.5	Very high	115 Å²	115	25.7 Å²	25.7	60%	0.602	13%	0.13	S	C	*	.	S	Bend	trans	-103.3	-6.9	164.3	-69.5	171.2	0	0	0	111.8	N878 D880	L830-N878 PolarHBondContact O-ND2 3.26Å; L830-D880 HydrophobicContact CD2-CB 3.77Å; L830-D880 HydrophobicContact CG-CB 4.1Å
831	T	88.1	Confident	92.6	Very high	32 Å²	32	25.4 Å²	25.4	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-89.6	134.6	-175.4	-49.8	0	0	0	0	109.7	T829 W833 L850 N878	T829-T831 WeakPolarHBondContact CG2-O 3.4Å; T829-T831 WeakPolarHBondContact OG1-CB 3.18Å; T829-T831 PolarHBondContact OG1-N 2.98Å; T831-W833 WeakPolarHBondContact CG2-O 3.1Å; T831-W833 PolarHBondContact O-N 2.78Å; T831-L850 WeakPolarHBondContact O-CD2 3.31Å; T831-N878 WeakPolarHBondContact O-CB 3.34Å
832	P	90.1	Very high	92.2	Very high	40 Å²	40	33.7 Å²	33.7	26%	0.26	17%	0.167	S	C	.	.	S	Bend	trans	-73.8	-0.8	-179.2	28.1	-35.7	0	0	0	114.7	S852 A853	P832-S852 CarbonylContact O-C 3.59Å; P832-S852 WeakPolarHBondContact O-CA 3.09Å; P832-A853 HydrophobicContact CB-CB 3.99Å; P832-A853 PolarHBondContact O-N 2.88Å
833	W	90.7	Very high	91.7	Very high	121 Å²	121	39.6 Å²	39.6	46%	0.458	19%	0.194	S	C	.	.			trans	-156.3	163.1	179.1	54.5	72.7	0	0	0	111.9	T831 L850	T831-W833 WeakPolarHBondContact CG2-O 3.1Å; T831-W833 PolarHBondContact O-N 2.78Å; W833-L850 CarbonylContact C-O 3.42Å; W833-L850 WeakPolarHBondContact CA-O 3.32Å; W833-L850 WeakPolarHBondContact CB-O 3.39Å
834	G	90.9	Very high	91.6	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	146.9	172.3	0	0	0	0	0	113.8	E849 L850	G834-E849 WeakPolarHBondContact O-CA 3.39Å; G834-L850 PolarHBondContact N-O 2.94Å; G834-L850 PolarHBondContact O-N 3.48Å
835	V	93.6	Very high	91.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.6	176.8	-176.7	0	0	0	0	110.6	E838 K847 E849 G925 A927 Q930 F933	V835-E838 HydrophobicContact CG1-CB 4.36Å; V835-K847 HydrophobicContact CG1-CG 4.22Å; V835-K847 VanDerWaalsContact CG2-CE 3.5Å; V835-E849 HydrophobicContact CB-CB 4.45Å; V835-E849 HydrophobicContact CG2-CB 4.23Å; V835-G925 CarbonylContact O-C 3.6Å; V835-A927 HydrophobicContact CB-CB 4.23Å; V835-A927 HydrophobicContact CG1-CB 4.04Å; V835-A927 HydrophobicContact CG2-CB 4.08Å; V835-Q930 HydrophobicContact CG2-CB 4.47Å; V835-F933 WeakPolarHBondContact O-CB 3.46Å
836	F	94.9	Very high	91.4	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-48.5	177.2	-61.2	-62.8	0	0	0	111.4	F825 F827 L848 L850 V856 V924 G925 F933 I937	F825-F836 HydrophobicContact CE1-CB 4.41Å; F825-F836 HydrophobicContact CE2-CB 4.08Å; F825-F836 AromaticContact CE2-CD1 3.75Å; F825-F836 HydrophobicContact CE2-CD1 3.75Å; F825-F836 HydrophobicContact CE2-CD2 4.09Å; F825-F836 HydrophobicContact CE2-CE1 4.11Å; F825-F836 HydrophobicContact CE2-CE2 4.44Å; F825-F836 AromaticContact CE2-CG 3.73Å; F825-F836 HydrophobicContact CE2-CG 3.73Å; F825-F836 HydrophobicContact CE2-CZ 4.44Å; F825-F836 HydrophobicContact CZ-CB 3.65Å; F825-F836 HydrophobicContact CZ-CD1 4.07Å; F825-F836 AromaticContact CZ-CD2 3.65Å; F825-F836 HydrophobicContact CZ-CD2 3.65Å; F825-F836 HydrophobicContact CZ-CE2 4.26Å; F825-F836 AromaticContact CZ-CG 3.53Å; F825-F836 HydrophobicContact CZ-CG 3.53Å; F827-F836 HydrophobicContact CB-CD1 4.38Å; F827-F836 HydrophobicContact CB-CE1 3.73Å; F827-F836 HydrophobicContact CB-CZ 4.42Å; F827-F836 AromaticContact CD1-CE1 3.85Å; F827-F836 HydrophobicContact CD1-CE1 3.85Å; F827-F836 AromaticContact CD1-CZ 3.66Å; F827-F836 HydrophobicContact CD1-CZ 3.66Å; F827-F836 AromaticContact CD2-CE1 3.67Å; F827-F836 HydrophobicContact CD2-CE1 3.67Å; F827-F836 AromaticContact CD2-CZ 3.8Å; F827-F836 HydrophobicContact CD2-CZ 3.8Å; F827-F836 HydrophobicContact CE1-CE1 4.38Å; F827-F836 HydrophobicContact CE1-CE2 4.48Å; F827-F836 AromaticContact CE1-CZ 3.75Å; F827-F836 HydrophobicContact CE1-CZ 3.75Å; F827-F836 HydrophobicContact CE2-CE1 4.23Å; F827-F836 AromaticContact CE2-CZ 3.9Å; F827-F836 HydrophobicContact CE2-CZ 3.9Å; F827-F836 HydrophobicContact CG-CD1 4.48Å; F827-F836 AromaticContact CG-CE1 3.45Å; F827-F836 HydrophobicContact CG-CE1 3.45Å; F827-F836 VanDerWaalsContact CG-CE1 3.45Å; F827-F836 AromaticContact CG-CZ 3.68Å; F827-F836 HydrophobicContact CG-CZ 3.68Å; F827-F836 AromaticContact CZ-CZ 3.87Å; F827-F836 HydrophobicContact CZ-CZ 3.87Å; F836-L848 HydrophobicContact CB-CB 4.35Å; F836-L848 WeakPolarHBondContact CB-O 3.26Å; F836-L848 HydrophobicContact CD2-CB 4.34Å; F836-L848 PolarHBondContact N-O 3.01Å; F836-L850 HydrophobicContact CE2-CB 3.98Å; F836-L850 HydrophobicContact CZ-CB 3.79Å; F836-V856 HydrophobicContact CE2-CG1 4.25Å; F836-V924 CarbonylContact O-C 3.58Å; F836-V924 WeakPolarHBondContact O-CA 3.34Å; F836-G925 PolarHBondContact O-N 2.93Å; F836-F933 AromaticContact CD1-CD2 3.76Å; F836-F933 HydrophobicContact CD1-CD2 3.76Å; F836-F933 HydrophobicContact CD1-CE2 4.02Å; F836-F933 HydrophobicContact CD1-CG 4.09Å; F836-F933 AromaticContact CE1-CD2 3.53Å; F836-F933 HydrophobicContact CE1-CD2 3.53Å; F836-F933 AromaticContact CE1-CE2 3.44Å; F836-F933 HydrophobicContact CE1-CE2 3.44Å; F836-F933 VanDerWaalsContact CE1-CE2 3.44Å; F836-F933 HydrophobicContact CE1-CG 4.31Å; F836-F933 HydrophobicContact CE1-CZ 4.15Å; F836-F933 HydrophobicContact CZ-CE2 4.46Å; F836-I937 HydrophobicContact CD1-CD1 4.27Å
837	L	94.9	Very high	91.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.7	175.2	59.1	85.4	0	0	0	112.3	I823 K847 L848 L922 F923 V924 L940	I823-L837 HydrophobicContact CD1-CD1 4.27Å; I823-L837 HydrophobicContact CG2-CD2 3.83Å; L837-K847 WeakPolarHBondContact O-CA 3.44Å; L837-L848 HydrophobicContact CD1-CB 4.33Å; L837-L848 HydrophobicContact CD1-CD1 4.31Å; L837-L848 HydrophobicContact CD2-CD1 4.44Å; L837-L848 HydrophobicContact CG-CB 4.23Å; L837-L848 HydrophobicContact CG-CD1 4.44Å; L837-L848 PolarHBondContact N-O 2.99Å; L837-L848 PolarHBondContact O-N 2.97Å; L837-L922 HydrophobicContact CB-CD1 4.33Å; L837-L922 HydrophobicContact CD1-CD1 4.42Å; L837-F923 CarbonylContact C-O 3.59Å; L837-F923 WeakPolarHBondContact CA-O 3.43Å; L837-F923 VanDerWaalsContact CB-O 3.3Å; L837-F923 WeakPolarHBondContact CB-O 3.47Å; L837-V924 HydrophobicContact CB-CG2 4.28Å; L837-L940 HydrophobicContact CD2-CD1 3.86Å; L837-L940 HydrophobicContact CD2-CD2 4.48Å
838	E	94	Very high	91.5	Very high	26 Å²	26	40 Å²	40	12%	0.121	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	133.2	179	-178.9	179.8	-108.4	0	0	110.1	V835 M840 I846 K847 F923 A927 G928	V835-E838 HydrophobicContact CG1-CB 4.36Å; E838-M840 HydrophobicContact CG-CG 4.07Å; E838-M840 HydrophobicContact CG-SD 4.01Å; E838-I846 WeakPolarHBondContact CA-O 3.29Å; E838-K847 HydrophobicContact CB-CG 4.44Å; E838-F923 PolarHBondContact N-O 3Å; E838-F923 PolarHBondContact O-N 2.69Å; E838-A927 HydrophobicContact CB-CB 4.28Å; E838-A927 WeakPolarHBondContact OE2-CA 3.45Å; E838-A927 WeakPolarHBondContact OE2-CB 3.46Å; E838-G928 PolarHBondContact OE2-N 2.89Å
839	N	93.2	Very high	91.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.1	166.1	-155.1	146.5	0	0	0	108.7	F815 F845 I846 L918 S920 L922	F815-N839 WeakPolarHBondContact CB-OD1 3.44Å; F815-N839 PolarHBondContact N-OD1 3.5Å; N839-F845 WeakPolarHBondContact O-CA 3.44Å; N839-I846 HydrophobicContact CB-CG2 3.85Å; N839-I846 PolarHBondContact N-O 3.42Å; N839-I846 PolarHBondContact O-N 3.02Å; N839-L918 HydrophobicContact CB-CD1 3.91Å; N839-L918 HydrophobicContact CB-CD2 4.42Å; N839-L918 WeakPolarHBondContact O-CD2 3.35Å; N839-S920 PolarHBondContact ND2-O 3.41Å; N839-S920 PolarHBondContact ND2-OG 3.1Å; N839-L922 HydrophobicContact CB-CD1 3.89Å
840	M	91.9	Very high	91.9	Very high	78 Å²	78	40.9 Å²	40.9	38%	0.384	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.5	-175.1	-60.8	-68.7	-73.1	0	0	111.8	E838 F845 Y919 S920	E838-M840 HydrophobicContact CG-CG 4.07Å; E838-M840 HydrophobicContact CG-SD 4.01Å; M840-F845 HydrophobicContact CE-CB 4.46Å; M840-F845 HydrophobicContact SD-CB 3.65Å; M840-F845 HydrophobicContact SD-CG 4.46Å; M840-Y919 PolarHBondContact O-N 2.95Å; M840-Y919 VanDerWaalsContact O-N 3.11Å; M840-S920 PolarHBondContact N-OG 2.95Å; M840-S920 WeakPolarHBondContact O-CB 3.34Å; M840-S920 PolarHBondContact O-N 2.99Å; M840-S920 PolarHBondContact O-OG 3.02Å
841	G	89.2	Confident	92.1	Very high	18 Å²	18	39.6 Å²	39.6	19%	0.186	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-103.8	-158.2	164.8	0	0	0	0	0	111.2	D844 E917	G841-D844 WeakPolarHBondContact CA-O 3.42Å; G841-D844 PolarHBondContact N-O 2.8Å; G841-E917 VanDerWaalsContact CA-O 3.3Å; G841-E917 WeakPolarHBondContact CA-O 3.49Å
842	K	83.3	Confident	92.5	Very high	176 Å²	176	39.7 Å²	39.7	77%	0.765	19%	0.19	S	C	*	.	S	Bend	trans	-77.5	-44.8	174.4	-176.8	-171	168.7	-157.9	0	111.4	Y919	K842-Y919 HydrophobicContact CB-CD2 4.41Å; K842-Y919 HydrophobicContact CB-CE2 4.25Å
843	E	83.3	Confident	92.7	Very high	137 Å²	137	39 Å²	39	64%	0.64	19%	0.187	S	C	*	.	S	Bend	trans	-125.4	-39.3	176.9	-66.1	179.2	-166.4	0	0	109
844	D	92.2	Very high	93	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.091	18%	0.179	C	C	.	.			trans	-66.5	151	174.4	-65.6	14.9	0	0	0	113.6	G841 D861 G863 L916 E917	G841-D844 WeakPolarHBondContact CA-O 3.42Å; G841-D844 PolarHBondContact N-O 2.8Å; D844-D861 WeakPolarHBondContact CA-O 3.33Å; D844-D861 VanDerWaalsContact CB-O 3.27Å; D844-D861 WeakPolarHBondContact CB-O 3.41Å; D844-G863 PolarHBondContact OD1-N 3.02Å; D844-L916 HydrophobicContact CB-CD1 4.06Å; D844-E917 PolarHBondContact OD2-N 3Å
845	F	94	Very high	93.4	Very high	43 Å²	43	37.2 Å²	37.2	19%	0.189	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	165.3	170.9	68	-87.4	0	0	0	111	N839 M840 K847 F860 D861 P866	N839-F845 WeakPolarHBondContact O-CA 3.44Å; M840-F845 HydrophobicContact CE-CB 4.46Å; M840-F845 HydrophobicContact SD-CB 3.65Å; M840-F845 HydrophobicContact SD-CG 4.46Å; F845-K847 HydrophobicContact CD2-CB 4.34Å; F845-F860 CarbonylContact O-C 3.56Å; F845-F860 WeakPolarHBondContact O-CA 3.48Å; F845-F860 VanDerWaalsContact O-CB 3.25Å; F845-F860 WeakPolarHBondContact O-CB 3.39Å; F845-D861 HydrophobicContact CD1-CB 3.74Å; F845-D861 HydrophobicContact CE1-CB 3.55Å; F845-D861 HydrophobicContact CZ-CB 4.38Å; F845-D861 PolarHBondContact N-O 2.87Å; F845-D861 VanDerWaalsContact N-O 3.12Å; F845-D861 PolarHBondContact O-N 2.94Å; F845-P866 HydrophobicContact CE1-CB 4.35Å; F845-P866 HydrophobicContact CZ-CB 4.22Å
846	I	94.6	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.7	168.7	-171.8	167.2	0	0	0	109.7	A821 I823 E838 N839 F858 F860 L916 L918	A821-I846 HydrophobicContact CB-CD1 3.85Å; I823-I846 HydrophobicContact CD1-CD1 3.78Å; I823-I846 HydrophobicContact CD1-CG1 4.43Å; E838-I846 WeakPolarHBondContact CA-O 3.29Å; N839-I846 HydrophobicContact CB-CG2 3.85Å; N839-I846 PolarHBondContact N-O 3.42Å; N839-I846 PolarHBondContact O-N 3.02Å; I846-F858 HydrophobicContact CD1-CE2 3.85Å; I846-F858 HydrophobicContact CD1-CZ 4.1Å; I846-F858 HydrophobicContact CG1-CE2 3.7Å; I846-F858 HydrophobicContact CG1-CZ 4.37Å; I846-F860 HydrophobicContact CB-CB 4.39Å; I846-F860 HydrophobicContact CG1-CB 4.33Å; I846-L916 HydrophobicContact CB-CD2 4.23Å; I846-L916 HydrophobicContact CD1-CD2 4.26Å; I846-L916 HydrophobicContact CG2-CD2 4.3Å; I846-L918 HydrophobicContact CG2-CD1 3.93Å
847	K	94.9	Very high	93.7	Very high	16 Å²	16	37 Å²	37	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	138.2	-172.6	-177.4	-178.5	175.9	-164.9	0	112.5	V835 L837 E838 F845 E849 S859	V835-K847 HydrophobicContact CG1-CG 4.22Å; V835-K847 VanDerWaalsContact CG2-CE 3.5Å; L837-K847 WeakPolarHBondContact O-CA 3.44Å; E838-K847 HydrophobicContact CB-CG 4.44Å; F845-K847 HydrophobicContact CD2-CB 4.34Å; K847-E849 WeakPolarHBondContact CE-OE2 3.43Å; K847-E849 VanDerWaalsContact NZ-CD 3.31Å; K847-E849 IonicContact NZ-OE1 3.92Å; K847-E849 IonicContact NZ-OE2 3.93Å; K847-E849 PolarHBondContact NZ-OE2 2.81Å; K847-S859 PolarHBondContact N-O 3.33Å; K847-S859 PolarHBondContact O-N 2.82Å
848	L	96.7	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.3	169.8	-78.3	160.6	0	0	0	109.8	I823 F825 F836 L837 S857 F858 V885 A887 L896	I823-L848 HydrophobicContact CB-CD1 4.12Å; I823-L848 HydrophobicContact CD1-CD1 4.18Å; I823-L848 HydrophobicContact CG2-CD1 3.7Å; F825-L848 HydrophobicContact CE1-CD1 3.93Å; F836-L848 HydrophobicContact CB-CB 4.35Å; F836-L848 WeakPolarHBondContact CB-O 3.26Å; F836-L848 HydrophobicContact CD2-CB 4.34Å; F836-L848 PolarHBondContact N-O 3.01Å; L837-L848 HydrophobicContact CD1-CB 4.33Å; L837-L848 HydrophobicContact CD1-CD1 4.31Å; L837-L848 HydrophobicContact CD2-CD1 4.44Å; L837-L848 HydrophobicContact CG-CB 4.23Å; L837-L848 HydrophobicContact CG-CD1 4.44Å; L837-L848 PolarHBondContact N-O 2.99Å; L837-L848 PolarHBondContact O-N 2.97Å; L848-S857 WeakPolarHBondContact CA-O 3.26Å; L848-F858 HydrophobicContact CD1-CD2 4.49Å; L848-F858 HydrophobicContact CD2-CB 3.55Å; L848-F858 HydrophobicContact CD2-CD2 3.63Å; L848-F858 HydrophobicContact CD2-CG 3.88Å; L848-F858 HydrophobicContact CG-CD2 3.81Å; L848-V885 HydrophobicContact CD2-CG1 4.4Å; L848-A887 HydrophobicContact CD1-CB 3.92Å; L848-A887 HydrophobicContact CD2-CB 3.87Å; L848-A887 HydrophobicContact CG-CB 4.46Å; L848-L896 HydrophobicContact CD2-CD1 4.1Å
849	E	95.6	Very high	94	Very high	31 Å²	31	36.4 Å²	36.4	15%	0.145	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.3	-179.2	67.6	179	169.5	0	0	113.7	G834 V835 K847 K851 V856 S857	G834-E849 WeakPolarHBondContact O-CA 3.39Å; V835-E849 HydrophobicContact CB-CB 4.45Å; V835-E849 HydrophobicContact CG2-CB 4.23Å; K847-E849 WeakPolarHBondContact CE-OE2 3.43Å; K847-E849 VanDerWaalsContact NZ-CD 3.31Å; K847-E849 IonicContact NZ-OE1 3.92Å; K847-E849 IonicContact NZ-OE2 3.93Å; K847-E849 PolarHBondContact NZ-OE2 2.81Å; E849-K851 HydrophobicContact CG-CG 3.74Å; E849-V856 WeakPolarHBondContact O-CA 3.48Å; E849-S857 PolarHBondContact N-O 3.47Å; E849-S857 PolarHBondContact O-N 2.84Å
850	L	95.7	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109	162.4	-173.1	69.2	0	0	0	107.6	F827 T829 T831 W833 G834 F836 S852 V856 L877	F827-L850 HydrophobicContact CE2-CD2 4.47Å; F827-L850 HydrophobicContact CZ-CD1 4.43Å; T829-L850 HydrophobicContact CG2-CD2 3.9Å; T831-L850 WeakPolarHBondContact O-CD2 3.31Å; W833-L850 CarbonylContact C-O 3.42Å; W833-L850 WeakPolarHBondContact CA-O 3.32Å; W833-L850 WeakPolarHBondContact CB-O 3.39Å; G834-L850 PolarHBondContact N-O 2.94Å; G834-L850 PolarHBondContact O-N 3.48Å; F836-L850 HydrophobicContact CE2-CB 3.98Å; F836-L850 HydrophobicContact CZ-CB 3.79Å; L850-S852 WeakPolarHBondContact CD1-O 3.37Å; L850-S852 WeakPolarHBondContact CG-O 3.31Å; L850-V856 HydrophobicContact CD1-CG2 3.96Å; L850-L877 HydrophobicContact CD1-CB 4.45Å; L850-L877 HydrophobicContact CD1-CD1 4.24Å
851	K	93.2	Very high	94.2	Very high	87 Å²	87	34.5 Å²	34.5	38%	0.378	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-33.2	-178.5	-68.9	-172.1	73.5	174.5	0	112.6	E849 E855 S857 E868	E849-K851 HydrophobicContact CG-CG 3.74Å; K851-E855 HydrophobicContact CB-CB 4.39Å; K851-E855 PolarHBondContact N-O 3.21Å; K851-S857 VanDerWaalsContact CD-CB 3.45Å; K851-E868 WeakPolarHBondContact CD-OE1 3.33Å; K851-E868 IonicContact NZ-OE1 3.34Å; K851-E868 PolarHBondContact NZ-OE1 2.83Å; K851-E868 IonicContact NZ-OE2 2.62Å
852	S	95.2	Very high	94.2	Very high	35 Å²	35	34 Å²	34	25%	0.245	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173.2	175	76	0	0	0	0	109.3	P832 L850 T854 E855	P832-S852 CarbonylContact O-C 3.59Å; P832-S852 WeakPolarHBondContact O-CA 3.09Å; L850-S852 WeakPolarHBondContact CD1-O 3.37Å; L850-S852 WeakPolarHBondContact CG-O 3.31Å; S852-T854 PolarHBondContact O-N 2.73Å; S852-T854 PolarHBondContact OG-N 3.12Å; S852-E855 PolarHBondContact O-N 3.38Å; S852-E855 VanDerWaalsContact O-N 3.13Å; S852-E855 WeakPolarHBondContact OG-CB 3.48Å; S852-E855 VanDerWaalsContact OG-CG 3.31Å; S852-E855 WeakPolarHBondContact OG-CG 3.15Å; S852-E855 PolarHBondContact OG-N 2.86Å
853	A	95	Very high	94.2	Very high	24 Å²	24	27.2 Å²	27.2	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-20.7	178.8	0	0	0	0	0	113.3	P832 P876 L877 N878	P832-A853 HydrophobicContact CB-CB 3.99Å; P832-A853 PolarHBondContact O-N 2.88Å; A853-P876 HydrophobicContact CB-CB 4.48Å; A853-P876 CarbonylContact O-C 3.45Å; A853-P876 WeakPolarHBondContact O-CA 3.42Å; A853-L877 PolarHBondContact O-N 2.8Å; A853-N878 WeakPolarHBondContact CB-OD1 3.32Å
854	T	97.4	Very high	94.3	Very high	45 Å²	45	24 Å²	24	28%	0.276	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	0.6	-177.2	53.6	0	0	0	0	113.7	S852 R872 S873	S852-T854 PolarHBondContact O-N 2.73Å; S852-T854 PolarHBondContact OG-N 3.12Å; T854-R872 CarbonylContact O-C 3.57Å; T854-R872 WeakPolarHBondContact O-CA 3.08Å; T854-S873 WeakPolarHBondContact CB-O 3.36Å; T854-S873 PolarHBondContact O-N 3.02Å
855	E	98	Very high	94.1	Very high	42 Å²	42	24.5 Å²	24.5	20%	0.196	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.2	-172	-64.3	-170.4	147.8	0	0	112.2	K851 S852 V870 V871 R872	K851-E855 HydrophobicContact CB-CB 4.39Å; K851-E855 PolarHBondContact N-O 3.21Å; S852-E855 PolarHBondContact O-N 3.38Å; S852-E855 VanDerWaalsContact O-N 3.13Å; S852-E855 WeakPolarHBondContact OG-CB 3.48Å; S852-E855 VanDerWaalsContact OG-CG 3.31Å; S852-E855 WeakPolarHBondContact OG-CG 3.15Å; S852-E855 PolarHBondContact OG-N 2.86Å; E855-V870 HydrophobicContact CB-CG1 4.07Å; E855-V870 HydrophobicContact CG-CG1 4.32Å; E855-V871 WeakPolarHBondContact CA-O 3.26Å; E855-R872 HydrophobicContact CG-CG 4.09Å; E855-R872 IonicContact OE1-CZ 3.1Å; E855-R872 IonicContact OE1-NE 2.67Å; E855-R872 PolarHBondContact OE1-NE 2.66Å; E855-R872 IonicContact OE1-NH2 3.96Å; E855-R872 PolarHBondContact OE1-NH2 3.09Å
856	V	98.3	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.2	168	180	0	0	0	0	108.7	F827 F836 E849 L850 V870 V871 L877 V885 L896 V898	F827-V856 HydrophobicContact CZ-CG2 4.5Å; F836-V856 HydrophobicContact CE2-CG1 4.25Å; E849-V856 WeakPolarHBondContact O-CA 3.48Å; L850-V856 HydrophobicContact CD1-CG2 3.96Å; V856-V870 WeakPolarHBondContact O-CA 3.33Å; V856-V871 PolarHBondContact N-O 2.71Å; V856-V871 VanDerWaalsContact N-O 3.11Å; V856-V871 PolarHBondContact O-N 3.45Å; V856-L877 HydrophobicContact CG2-CD1 3.67Å; V856-V885 HydrophobicContact CG1-CG1 4.34Å; V856-V885 HydrophobicContact CG1-CG2 4.34Å; V856-L896 HydrophobicContact CG1-CD1 4.44Å; V856-L896 HydrophobicContact CG1-CD2 4.22Å; V856-L896 WeakPolarHBondContact O-CD2 3.31Å; V856-V898 HydrophobicContact CB-CG2 3.72Å; V856-V898 HydrophobicContact CG1-CG2 4.09Å; V856-V898 HydrophobicContact CG2-CG1 4.39Å; V856-V898 HydrophobicContact CG2-CG2 3.84Å
857	S	97.6	Very high	94	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136	-179.6	-175.9	0	0	0	0	111.7	L848 E849 K851 E868 I869	L848-S857 WeakPolarHBondContact CA-O 3.26Å; E849-S857 PolarHBondContact N-O 3.47Å; E849-S857 PolarHBondContact O-N 2.84Å; K851-S857 VanDerWaalsContact CD-CB 3.45Å; S857-E868 WeakPolarHBondContact OG-CG 2.98Å; S857-E868 PolarHBondContact OG-OE1 3.11Å; S857-I869 WeakPolarHBondContact CA-O 3.33Å
858	F	97.9	Very high	94.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.9	168.2	178.5	-143.1	0	0	0	108.6	I846 L848 F860 E868 I869 A887 R889 A894 L896	I846-F858 HydrophobicContact CD1-CE2 3.85Å; I846-F858 HydrophobicContact CD1-CZ 4.1Å; I846-F858 HydrophobicContact CG1-CE2 3.7Å; I846-F858 HydrophobicContact CG1-CZ 4.37Å; L848-F858 HydrophobicContact CD1-CD2 4.49Å; L848-F858 HydrophobicContact CD2-CB 3.55Å; L848-F858 HydrophobicContact CD2-CD2 3.63Å; L848-F858 HydrophobicContact CD2-CG 3.88Å; L848-F858 HydrophobicContact CG-CD2 3.81Å; F858-F860 HydrophobicContact CD1-CD1 4.37Å; F858-F860 HydrophobicContact CD1-CE1 4.37Å; F858-F860 AromaticContact CE1-CD1 3.89Å; F858-F860 HydrophobicContact CE1-CD1 3.89Å; F858-F860 AromaticContact CE1-CE1 3.9Å; F858-F860 HydrophobicContact CE1-CE1 3.9Å; F858-F860 HydrophobicContact CE2-CD1 4.21Å; F858-F860 AromaticContact CZ-CD1 3.8Å; F858-F860 HydrophobicContact CZ-CD1 3.8Å; F858-F860 HydrophobicContact CZ-CE1 4.24Å; F858-E868 CarbonylContact O-C 3.58Å; F858-E868 WeakPolarHBondContact O-CA 3.46Å; F858-I869 HydrophobicContact CD1-CD1 4.32Å; F858-I869 PolarHBondContact N-O 3.43Å; F858-I869 PolarHBondContact O-N 2.91Å; F858-A887 HydrophobicContact CD1-CB 4.02Å; F858-A887 HydrophobicContact CD2-CB 4.19Å; F858-A887 HydrophobicContact CE1-CB 4.22Å; F858-A887 HydrophobicContact CE2-CB 4.38Å; F858-A887 HydrophobicContact CG-CB 4.01Å; F858-A887 HydrophobicContact CZ-CB 4.4Å; F858-R889 HydrophobicContact CE1-CB 4.23Å; F858-R889 HydrophobicContact CZ-CB 4.16Å; F858-A894 HydrophobicContact CE1-CB 4.24Å; F858-L896 HydrophobicContact CB-CB 4.22Å; F858-L896 HydrophobicContact CB-CD1 4.17Å; F858-L896 HydrophobicContact CB-CD2 3.96Å; F858-L896 HydrophobicContact CB-CG 4.34Å
859	S	95.9	Very high	94.2	Very high	14 Å²	14	31.8 Å²	31.8	10%	0.098	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.8	-179.1	59.9	0	0	0	0	112.4	K847 V867	K847-S859 PolarHBondContact N-O 3.33Å; K847-S859 PolarHBondContact O-N 2.82Å; S859-V867 CarbonylContact C-O 3.55Å; S859-V867 WeakPolarHBondContact CA-O 3.46Å; S859-V867 WeakPolarHBondContact CB-O 3.25Å
860	F	95.3	Very high	94.3	Very high	15 Å²	15	32.4 Å²	32.4	7%	0.066	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	158.9	178.3	60.9	-89.3	0	0	0	111.7	F845 I846 F858 V862 V867 R889 A894	F845-F860 CarbonylContact O-C 3.56Å; F845-F860 WeakPolarHBondContact O-CA 3.48Å; F845-F860 VanDerWaalsContact O-CB 3.25Å; F845-F860 WeakPolarHBondContact O-CB 3.39Å; I846-F860 HydrophobicContact CB-CB 4.39Å; I846-F860 HydrophobicContact CG1-CB 4.33Å; F858-F860 HydrophobicContact CD1-CD1 4.37Å; F858-F860 HydrophobicContact CD1-CE1 4.37Å; F858-F860 AromaticContact CE1-CD1 3.89Å; F858-F860 HydrophobicContact CE1-CD1 3.89Å; F858-F860 AromaticContact CE1-CE1 3.9Å; F858-F860 HydrophobicContact CE1-CE1 3.9Å; F858-F860 HydrophobicContact CE2-CD1 4.21Å; F858-F860 AromaticContact CZ-CD1 3.8Å; F858-F860 HydrophobicContact CZ-CD1 3.8Å; F858-F860 HydrophobicContact CZ-CE1 4.24Å; F860-V862 HydrophobicContact CD2-CG1 4.11Å; F860-V867 HydrophobicContact CD1-CB 4.39Å; F860-V867 HydrophobicContact CD1-CG1 4.29Å; F860-V867 HydrophobicContact CD2-CB 4.21Å; F860-V867 HydrophobicContact CE1-CB 4.03Å; F860-V867 HydrophobicContact CE1-CG1 3.56Å; F860-V867 HydrophobicContact CE2-CB 3.84Å; F860-V867 HydrophobicContact CE2-CG1 4.06Å; F860-V867 HydrophobicContact CE2-CG2 4.04Å; F860-V867 HydrophobicContact CG-CB 4.47Å; F860-V867 HydrophobicContact CZ-CB 3.75Å; F860-V867 HydrophobicContact CZ-CG1 3.42Å; F860-V867 VanDerWaalsContact CZ-CG1 3.42Å; F860-V867 HydrophobicContact CZ-CG2 4.22Å; F860-V867 PolarHBondContact N-O 3.16Å; F860-V867 PolarHBondContact O-N 2.63Å; F860-R889 HydrophobicContact CE1-CG 4.42Å; F860-R889 HydrophobicContact CE2-CG 4.18Å; F860-R889 HydrophobicContact CZ-CG 4.07Å; F860-A894 HydrophobicContact CE1-CB 3.42Å; F860-A894 VanDerWaalsContact CE1-CB 3.42Å; F860-A894 HydrophobicContact CZ-CB 3.46Å; F860-A894 VanDerWaalsContact CZ-CB 3.46Å
861	D	94.3	Very high	94.4	Very high	22 Å²	22	32.5 Å²	32.5	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.4	165.6	-163.4	-14.1	0	0	0	108.5	D844 F845 G863 N864 G865 L916	D844-D861 WeakPolarHBondContact CA-O 3.33Å; D844-D861 VanDerWaalsContact CB-O 3.27Å; D844-D861 WeakPolarHBondContact CB-O 3.41Å; F845-D861 HydrophobicContact CD1-CB 3.74Å; F845-D861 HydrophobicContact CE1-CB 3.55Å; F845-D861 HydrophobicContact CZ-CB 4.38Å; F845-D861 PolarHBondContact N-O 2.87Å; F845-D861 VanDerWaalsContact N-O 3.12Å; F845-D861 PolarHBondContact O-N 2.94Å; D861-G863 PolarHBondContact OD1-N 3.23Å; D861-N864 PolarHBondContact OD1-N 3.32Å; D861-G865 WeakPolarHBondContact OD1-CA 3.29Å; D861-G865 PolarHBondContact OD1-N 2.86Å; D861-G865 VanDerWaalsContact OD2-CA 3.26Å; D861-G865 WeakPolarHBondContact OD2-CA 3.34Å; D861-L916 VanDerWaalsContact O-CD1 3.3Å; D861-L916 WeakPolarHBondContact O-CD1 3.4Å
862	V	88.9	Confident	94.7	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.048	21%	0.211	C	C	.	.	S	Bend	trans	-128.7	16.5	-178.4	-63.7	0	0	0	0	110.7	F860 H913 L916	F860-V862 HydrophobicContact CD2-CG1 4.11Å; V862-H913 WeakPolarHBondContact O-CB 3.35Å; V862-L916 HydrophobicContact CG1-CB 4.02Å; V862-L916 HydrophobicContact CG1-CD1 3.69Å; V862-L916 HydrophobicContact CG1-CG 4.44Å
863	G	84.7	Confident	94.7	Very high	33 Å²	33	36.1 Å²	36.1	34%	0.34	20%	0.204	S	C	.	.	S	Bend	trans	97.9	-3.9	-174.2	0	0	0	0	0	114.7	D844 D861 H913	D844-G863 PolarHBondContact OD1-N 3.02Å; D861-G863 PolarHBondContact OD1-N 3.23Å; G863-H913 PolarHBondContact O-CD2 3.45Å
864	N	85	Confident	94.8	Very high	70 Å²	70	40.3 Å²	40.3	37%	0.374	23%	0.229	S	C	.	.	S	Bend	trans	-91.9	-0.6	173.6	-62.4	-44.6	0	0	0	112.9	D861 G912 H913	D861-N864 PolarHBondContact OD1-N 3.32Å; N864-G912 WeakPolarHBondContact OD1-CA 3.06Å; N864-H913 PolarHBondContact ND2-N 2.03Å; N864-H913 PolarHBondContact ND2-O 2.03Å; N864-H913 PolarHBondContact OD1-N 2.91Å
865	G	88.2	Confident	94.6	Very high	27 Å²	27	42 Å²	42	28%	0.278	24%	0.24	S	C	.	.			trans	95.9	161.5	-170.1	0	0	0	0	0	112.1	D861 V867	D861-G865 WeakPolarHBondContact OD1-CA 3.29Å; D861-G865 PolarHBondContact OD1-N 2.86Å; D861-G865 VanDerWaalsContact OD2-CA 3.26Å; D861-G865 WeakPolarHBondContact OD2-CA 3.34Å; G865-V867 PolarHBondContact O-N 3.23Å
866	P	93	Very high	94.5	Very high	97 Å²	97	43.5 Å²	43.5	63%	0.63	25%	0.253	S	S	*	.			trans	-67.4	132.4	-170.5	25.8	-34.7	0	0	0	112.1	F845	F845-P866 HydrophobicContact CE1-CB 4.35Å; F845-P866 HydrophobicContact CZ-CB 4.22Å
867	V	94.1	Very high	94.4	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.139	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.6	175.6	170.7	0	0	0	0	108.5	S859 F860 G865	S859-V867 CarbonylContact C-O 3.55Å; S859-V867 WeakPolarHBondContact CA-O 3.46Å; S859-V867 WeakPolarHBondContact CB-O 3.25Å; F860-V867 HydrophobicContact CD1-CB 4.39Å; F860-V867 HydrophobicContact CD1-CG1 4.29Å; F860-V867 HydrophobicContact CD2-CB 4.21Å; F860-V867 HydrophobicContact CE1-CB 4.03Å; F860-V867 HydrophobicContact CE1-CG1 3.56Å; F860-V867 HydrophobicContact CE2-CB 3.84Å; F860-V867 HydrophobicContact CE2-CG1 4.06Å; F860-V867 HydrophobicContact CE2-CG2 4.04Å; F860-V867 HydrophobicContact CG-CB 4.47Å; F860-V867 HydrophobicContact CZ-CB 3.75Å; F860-V867 HydrophobicContact CZ-CG1 3.42Å; F860-V867 VanDerWaalsContact CZ-CG1 3.42Å; F860-V867 HydrophobicContact CZ-CG2 4.22Å; F860-V867 PolarHBondContact N-O 3.16Å; F860-V867 PolarHBondContact O-N 2.63Å; G865-V867 PolarHBondContact O-N 3.23Å
868	E	96.5	Very high	94.2	Very high	81 Å²	81	45.3 Å²	45.3	38%	0.379	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.7	173.2	-167.5	178.9	-158.3	0	0	109.5	K851 S857 F858 V870 R906	K851-E868 WeakPolarHBondContact CD-OE1 3.33Å; K851-E868 IonicContact NZ-OE1 3.34Å; K851-E868 PolarHBondContact NZ-OE1 2.83Å; K851-E868 IonicContact NZ-OE2 2.62Å; S857-E868 WeakPolarHBondContact OG-CG 2.98Å; S857-E868 PolarHBondContact OG-OE1 3.11Å; F858-E868 CarbonylContact O-C 3.58Å; F858-E868 WeakPolarHBondContact O-CA 3.46Å; E868-V870 HydrophobicContact CG-CG2 3.99Å; E868-R906 PolarHBondContact O-NH1 3.5Å
869	I	98	Very high	93.8	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.8	172.5	-52.7	178.3	0	0	0	107.1	S857 F858 A894 L896 Q904 R906	S857-I869 WeakPolarHBondContact CA-O 3.33Å; F858-I869 HydrophobicContact CD1-CD1 4.32Å; F858-I869 PolarHBondContact N-O 3.43Å; F858-I869 PolarHBondContact O-N 2.91Å; I869-A894 VanDerWaalsContact CD1-C 3.49Å; I869-A894 HydrophobicContact CD1-CB 3.67Å; I869-A894 WeakPolarHBondContact CD1-O 3.44Å; I869-L896 HydrophobicContact CB-CB 4.37Å; I869-L896 HydrophobicContact CG2-CB 3.84Å; I869-L896 WeakPolarHBondContact O-CD2 3.12Å; I869-Q904 HydrophobicContact CG2-CB 3.66Å; I869-R906 HydrophobicContact CD1-CB 3.85Å; I869-R906 HydrophobicContact CG1-CB 4.07Å
870	V	98.3	Very high	93.3	Very high	44 Å²	44	50.4 Å²	50.4	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132	-177.5	-177.2	0	0	0	0	109.8	E855 V856 E868 R872	E855-V870 HydrophobicContact CB-CG1 4.07Å; E855-V870 HydrophobicContact CG-CG1 4.32Å; V856-V870 WeakPolarHBondContact O-CA 3.33Å; E868-V870 HydrophobicContact CG-CG2 3.99Å; V870-R872 HydrophobicContact CG1-CG 4.5Å
871	V	98.2	Very high	93.1	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	169.2	173.6	0	0	0	0	108.5	E855 V856 L896 V898 L901 Q904	E855-V871 WeakPolarHBondContact CA-O 3.26Å; V856-V871 PolarHBondContact N-O 2.71Å; V856-V871 VanDerWaalsContact N-O 3.11Å; V856-V871 PolarHBondContact O-N 3.45Å; V871-L896 HydrophobicContact CB-CD2 4.24Å; V871-L896 HydrophobicContact CB-CG 4.48Å; V871-L896 HydrophobicContact CG2-CB 4.1Å; V871-L896 HydrophobicContact CG2-CD2 3.81Å; V871-L896 HydrophobicContact CG2-CG 3.68Å; V871-L896 WeakPolarHBondContact CG2-O 3.04Å; V871-V898 HydrophobicContact CB-CG2 3.84Å; V871-V898 HydrophobicContact CG1-CB 3.94Å; V871-V898 HydrophobicContact CG1-CG2 3.82Å; V871-V898 HydrophobicContact CG2-CG2 4.33Å; V871-L901 HydrophobicContact CG1-CB 4.36Å; V871-L901 HydrophobicContact CG1-CD1 3.85Å; V871-Q904 HydrophobicContact CG2-CB 4.17Å; V871-Q904 HydrophobicContact CG2-CG 3.75Å
872	R	97.8	Very high	92.9	Very high	185 Å²	185	51.5 Å²	51.5	70%	0.698	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.5	175.4	-58	-167.4	166	115.1	4.9	110.1	T854 E855 V870	T854-R872 CarbonylContact O-C 3.57Å; T854-R872 WeakPolarHBondContact O-CA 3.08Å; E855-R872 HydrophobicContact CG-CG 4.09Å; E855-R872 IonicContact OE1-CZ 3.1Å; E855-R872 IonicContact OE1-NE 2.67Å; E855-R872 PolarHBondContact OE1-NE 2.66Å; E855-R872 IonicContact OE1-NH2 3.96Å; E855-R872 PolarHBondContact OE1-NH2 3.09Å; V870-R872 HydrophobicContact CG1-CG 4.5Å
873	S	96.8	Very high	93.1	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.084	29%	0.292	C	S	.	.			trans	-80.5	139.1	171.9	-177.8	0	0	0	0	110.8	T854 T875	T854-S873 WeakPolarHBondContact CB-O 3.36Å; T854-S873 PolarHBondContact O-N 3.02Å; S873-T875 VanDerWaalsContact CB-O 3.24Å; S873-T875 WeakPolarHBondContact CB-O 3.5Å; S873-T875 PolarHBondContact O-N 2.05Å; S873-T875 PolarHBondContact OG-N 3.21Å; S873-T875 PolarHBondContact OG-O 2.91Å
874	P	96	Very high	93.6	Very high	112 Å²	112	53.8 Å²	53.8	73%	0.727	29%	0.29	S	S	*	.	S	Bend	trans	-69.5	-22.5	173.1	29.4	-34.7	0	0	0	112.6
875	T	93.7	Very high	94.2	Very high	82 Å²	82	50.5 Å²	50.5	50%	0.503	27%	0.272	S	S	.	.	S	Bend	trans	-115.5	148.5	177.6	53.6	0	0	0	0	110.7	S873 L877	S873-T875 VanDerWaalsContact CB-O 3.24Å; S873-T875 WeakPolarHBondContact CB-O 3.5Å; S873-T875 PolarHBondContact O-N 2.05Å; S873-T875 PolarHBondContact OG-N 3.21Å; S873-T875 PolarHBondContact OG-O 2.91Å; T875-L877 PolarHBondContact O-N 3.24Å
876	P	96	Very high	94.6	Very high	72 Å²	72	50.3 Å²	50.3	47%	0.468	27%	0.266	S	S	.	.			trans	-56.6	135.2	174.1	-22.3	33.2	0	0	0	111.8	A853 N878	A853-P876 HydrophobicContact CB-CB 4.48Å; A853-P876 CarbonylContact O-C 3.45Å; A853-P876 WeakPolarHBondContact O-CA 3.42Å; P876-N878 WeakPolarHBondContact CB-OD1 3.38Å
877	L	95.7	Very high	94.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	S	Bend	trans	-93.2	2.7	177.7	-59.3	171.5	0	0	0	112.6	F827 L850 A853 V856 T875 H883 V898	F827-L877 HydrophobicContact CE2-CB 4.47Å; F827-L877 HydrophobicContact CZ-CB 4.09Å; F827-L877 HydrophobicContact CZ-CD1 4.48Å; L850-L877 HydrophobicContact CD1-CB 4.45Å; L850-L877 HydrophobicContact CD1-CD1 4.24Å; A853-L877 PolarHBondContact O-N 2.8Å; V856-L877 HydrophobicContact CG2-CD1 3.67Å; T875-L877 PolarHBondContact O-N 3.24Å; L877-H883 WeakPolarHBondContact CA-NE2 3.21Å; L877-H883 WeakPolarHBondContact CD2-ND1 3.29Å; L877-H883 PolarHBondContact O-CD2 2.97Å; L877-H883 VanDerWaalsContact O-CD2 3.27Å; L877-H883 PolarHBondContact O-NE2 2.97Å; L877-V898 HydrophobicContact CD1-CG1 4.23Å; L877-V898 HydrophobicContact CD2-CG1 4.27Å
878	N	93	Very high	94.8	Very high	37 Å²	37	44.9 Å²	44.9	20%	0.198	23%	0.231	C	C	.	.			trans	-106	41.5	177.1	70.9	-46.4	0	0	0	111.3	T829 L830 T831 A853 P876	T829-N878 HydrophobicContact CG2-CB 4.04Å; T829-N878 CarbonylContact O-C 3.29Å; T829-N878 WeakPolarHBondContact O-CA 3.32Å; L830-N878 PolarHBondContact O-ND2 3.26Å; T831-N878 WeakPolarHBondContact O-CB 3.34Å; A853-N878 WeakPolarHBondContact CB-OD1 3.32Å; P876-N878 WeakPolarHBondContact CB-OD1 3.38Å
879	D	90.6	Very high	94.7	Very high	70 Å²	70	41.5 Å²	41.5	37%	0.374	22%	0.215	S	C	.	.	S	Bend	trans	-97.4	14.8	-177.3	64.7	0.2	0	0	0	113.1	Q881 H883	D879-Q881 PolarHBondContact O-N 2.73Å; D879-Q881 PolarHBondContact O-NE2 2.97Å; D879-Q881 WeakPolarHBondContact OD1-CA 3.35Å; D879-Q881 VanDerWaalsContact OD1-CB 3.23Å; D879-Q881 WeakPolarHBondContact OD1-CB 3.23Å; D879-Q881 WeakPolarHBondContact OD1-CG 3.07Å; D879-Q881 PolarHBondContact OD1-N 2.79Å; D879-H883 IonicContact OD1-CE1 3.8Å; D879-H883 IonicContact OD1-NE2 3.24Å; D879-H883 PolarHBondContact OD1-NE2 2.72Å; D879-H883 IonicContact OD2-NE2 2.78Å
880	D	85.9	Confident	94.4	Very high	51 Å²	51	41.2 Å²	41.2	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	56.7	20.9	-172.2	-160.6	35.7	0	0	0	114.6	K828 T829 L830	K828-D880 IonicContact NZ-OD1 3.95Å; K828-D880 PolarHBondContact NZ-OD1 2.87Å; K828-D880 IonicContact NZ-OD2 2.77Å; K828-D880 PolarHBondContact NZ-OD2 2.92Å; T829-D880 PolarHBondContact O-N 2.87Å; T829-D880 VanDerWaalsContact O-N 3.07Å; L830-D880 HydrophobicContact CD2-CB 3.77Å; L830-D880 HydrophobicContact CG-CB 4.1Å
881	Q	89.4	Confident	94	Very high	41 Å²	41	40.6 Å²	40.6	19%	0.192	21%	0.209	C	C	.	.	S	Bend	trans	-97.3	156.4	171.3	-52.8	-41.7	-48.5	0	0	112.6	K828 D879 H883 T968 S969	K828-Q881 WeakPolarHBondContact CA-O 3.03Å; K828-Q881 WeakPolarHBondContact CB-O 3.02Å; D879-Q881 PolarHBondContact O-N 2.73Å; D879-Q881 PolarHBondContact O-NE2 2.97Å; D879-Q881 WeakPolarHBondContact OD1-CA 3.35Å; D879-Q881 VanDerWaalsContact OD1-CB 3.23Å; D879-Q881 WeakPolarHBondContact OD1-CB 3.23Å; D879-Q881 WeakPolarHBondContact OD1-CG 3.07Å; D879-Q881 PolarHBondContact OD1-N 2.79Å; Q881-H883 PolarHBondContact O-CD2 2.86Å; Q881-H883 PolarHBondContact O-N 2.87Å; Q881-T968 PolarHBondContact NE2-OG1 3.35Å; Q881-T968 PolarHBondContact OE1-O 3.18Å; Q881-T968 VanDerWaalsContact OE1-O 3.05Å; Q881-T968 PolarHBondContact OE1-OG1 2.78Å; Q881-S969 WeakPolarHBondContact CA-OG 3.4Å; Q881-S969 PolarHBondContact OE1-OG 3.3Å
882	W	90.1	Very high	93.6	Very high	20 Å²	20	42.5 Å²	42.5	8%	0.076	22%	0.217	C	C	.	.			trans	-72.9	117	175.7	-73.5	108.8	0	0	0	111.3	F827 K828 C936 R938 C963 S969 Y970	F827-W882 WeakPolarHBondContact O-CA 3.49Å; K828-W882 HydrophobicContact CB-CD2 4.36Å; K828-W882 HydrophobicContact CB-CE3 4.25Å; K828-W882 HydrophobicContact CD-CD2 4.04Å; K828-W882 HydrophobicContact CD-CE3 4.47Å; K828-W882 HydrophobicContact CD-CG 4.49Å; K828-W882 HydrophobicContact CD-CH2 4.41Å; K828-W882 HydrophobicContact CD-CZ2 3.94Å; K828-W882 HydrophobicContact CG-CD2 4.38Å; K828-W882 HydrophobicContact CG-CE3 4.32Å; K828-W882 HydrophobicContact CG-CH2 4.44Å; K828-W882 HydrophobicContact CG-CZ2 4.45Å; K828-W882 HydrophobicContact CG-CZ3 4.37Å; W882-C936 HydrophobicContact CH2-CB 3.79Å; W882-C936 HydrophobicContact CZ2-CB 4.47Å; W882-C936 HydrophobicContact CZ3-CB 4.27Å; W882-R938 HydrophobicContact CH2-CB 3.56Å; W882-R938 HydrophobicContact CH2-CG 4.49Å; W882-R938 HydrophobicContact CZ2-CB 4.44Å; W882-R938 HydrophobicContact CZ3-CB 3.64Å; W882-C963 HydrophobicContact CH2-CB 4.05Å; W882-C963 HydrophobicContact CZ2-CB 3.83Å; W882-S969 PolarHBondContact N-OG 2.75Å; W882-S969 VanDerWaalsContact N-OG 3.11Å; W882-Y970 AromaticContact CD1-CE2 3.81Å
883	H	94	Very high	93.4	Very high	11 Å²	11	35.2 Å²	35.2	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.5	171.4	-62.5	-73	0	0	0	110.7	Y826 F827 L877 D879 Q881 D899	Y826-H883 CarbonylContact C-O 3.46Å; Y826-H883 WeakPolarHBondContact CA-O 3.36Å; F827-H883 HydrophobicContact CD1-CB 4.03Å; F827-H883 HydrophobicContact CE1-CB 3.56Å; F827-H883 HydrophobicContact CE2-CB 4.45Å; F827-H883 HydrophobicContact CZ-CB 3.8Å; F827-H883 PolarHBondContact N-O 2.76Å; F827-H883 PolarHBondContact O-N 3.28Å; L877-H883 WeakPolarHBondContact CA-NE2 3.21Å; L877-H883 WeakPolarHBondContact CD2-ND1 3.29Å; L877-H883 PolarHBondContact O-CD2 2.97Å; L877-H883 VanDerWaalsContact O-CD2 3.27Å; L877-H883 PolarHBondContact O-NE2 2.97Å; D879-H883 IonicContact OD1-CE1 3.8Å; D879-H883 IonicContact OD1-NE2 3.24Å; D879-H883 PolarHBondContact OD1-NE2 2.72Å; D879-H883 IonicContact OD2-NE2 2.78Å; Q881-H883 PolarHBondContact O-CD2 2.86Å; Q881-H883 PolarHBondContact O-N 2.87Å; H883-D899 WeakPolarHBondContact CA-OD1 3.39Å; H883-D899 IonicContact CE1-OD2 3.86Å; H883-D899 IonicContact CG-OD2 2.69Å; H883-D899 IonicContact ND1-OD1 3.46Å; H883-D899 IonicContact ND1-OD2 3.33Å; H883-D899 PolarHBondContact ND1-OD2 2.91Å
884	R	95	Very high	93.4	Very high	78 Å²	78	34.8 Å²	34.8	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133	176.9	179.5	172.7	144.2	172.9	-5.1	110	E596 Y826 T886 V898 D899	E596-R884 IonicContact OE1-NH1 3.41Å; Y826-R884 HydrophobicContact CD1-CB 3.83Å; Y826-R884 HydrophobicContact CD1-CG 4.42Å; Y826-R884 HydrophobicContact CE1-CB 3.62Å; Y826-R884 HydrophobicContact CE1-CG 3.98Å; R884-T886 HydrophobicContact CG-CG2 4.26Å; R884-V898 CarbonylContact O-C 3.59Å; R884-V898 VanDerWaalsContact O-CA 3.29Å; R884-V898 WeakPolarHBondContact O-CA 3.36Å; R884-D899 PolarHBondContact N-OD1 2.9Å; R884-D899 PolarHBondContact O-N 3.34Å
885	V	97.8	Very high	93.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.9	170.5	179.6	0	0	0	0	108.4	S824 F825 F827 L848 V856 L896 V898	S824-V885 VanDerWaalsContact CA-O 3.26Å; S824-V885 WeakPolarHBondContact CA-O 3.37Å; F825-V885 HydrophobicContact CD1-CB 4.45Å; F825-V885 HydrophobicContact CE1-CB 4Å; F825-V885 HydrophobicContact CE1-CG1 4.04Å; F825-V885 HydrophobicContact CE2-CB 4.08Å; F825-V885 HydrophobicContact CE2-CG2 4.07Å; F825-V885 HydrophobicContact CZ-CB 3.79Å; F825-V885 HydrophobicContact CZ-CG1 4.01Å; F825-V885 HydrophobicContact CZ-CG2 4.05Å; F825-V885 PolarHBondContact N-O 2.83Å; F825-V885 PolarHBondContact O-N 2.84Å; F827-V885 HydrophobicContact CD1-CG2 3.77Å; F827-V885 HydrophobicContact CE1-CG2 3.61Å; L848-V885 HydrophobicContact CD2-CG1 4.4Å; V856-V885 HydrophobicContact CG1-CG1 4.34Å; V856-V885 HydrophobicContact CG1-CG2 4.34Å; V885-L896 HydrophobicContact CG1-CD1 3.83Å; V885-V898 HydrophobicContact CG2-CG2 4.49Å
886	T	96.1	Very high	93.6	Very high	24 Å²	24	25.6 Å²	25.6	15%	0.147	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119	172.3	48.9	0	0	0	0	108.4	I823 R884 Q897	I823-T886 WeakPolarHBondContact O-CA 3Å; R884-T886 HydrophobicContact CG-CG2 4.26Å; T886-Q897 PolarHBondContact N-O 2.84Å; T886-Q897 PolarHBondContact O-N 2.86Å; T886-Q897 WeakPolarHBondContact OG1-CB 3.44Å; T886-Q897 PolarHBondContact OG1-O 3.17Å
887	A	96.5	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.5	179.8	0	0	0	0	0	109.4	I823 L848 F858 S895 L896	I823-A887 PolarHBondContact N-O 3.23Å; I823-A887 PolarHBondContact O-N 2.86Å; L848-A887 HydrophobicContact CD1-CB 3.92Å; L848-A887 HydrophobicContact CD2-CB 3.87Å; L848-A887 HydrophobicContact CG-CB 4.46Å; F858-A887 HydrophobicContact CD1-CB 4.02Å; F858-A887 HydrophobicContact CD2-CB 4.19Å; F858-A887 HydrophobicContact CE1-CB 4.22Å; F858-A887 HydrophobicContact CE2-CB 4.38Å; F858-A887 HydrophobicContact CG-CB 4.01Å; F858-A887 HydrophobicContact CZ-CB 4.4Å; A887-S895 WeakPolarHBondContact CA-O 3.49Å; A887-L896 HydrophobicContact CB-CD1 3.98Å
888	E	95	Very high	93.8	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.3	-178.2	-170.5	-162.6	164.2	0	0	108.9	N592 A821 N890 A894 S895	N592-E888 PolarHBondContact ND2-OE2 2.83Å; A821-E888 CarbonylContact O-C 3.43Å; A821-E888 VanDerWaalsContact O-CA 3.26Å; A821-E888 WeakPolarHBondContact O-CA 3.46Å; E888-N890 PolarHBondContact OE1-ND2 3.23Å; E888-A894 CarbonylContact O-C 3.6Å; E888-A894 WeakPolarHBondContact O-CA 3.16Å; E888-S895 PolarHBondContact N-O 3.5Å; E888-S895 PolarHBondContact O-N 2.98Å
889	R	94	Very high	93.8	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.4	167.2	175.5	-115.9	173.2	-157	-5.5	107.8	E818 S820 A821 F858 F860 A894 T914	E818-R889 PolarHBondContact O-NH1 2.97Å; S820-R889 CarbonylContact C-O 3.54Å; S820-R889 WeakPolarHBondContact CA-O 3.1Å; A821-R889 HydrophobicContact CB-CB 4.34Å; A821-R889 PolarHBondContact N-O 3.47Å; A821-R889 PolarHBondContact O-N 3.41Å; F858-R889 HydrophobicContact CE1-CB 4.23Å; F858-R889 HydrophobicContact CZ-CB 4.16Å; F860-R889 HydrophobicContact CE1-CG 4.42Å; F860-R889 HydrophobicContact CE2-CG 4.18Å; F860-R889 HydrophobicContact CZ-CG 4.07Å; R889-A894 HydrophobicContact CB-CB 4.1Å; R889-A894 HydrophobicContact CG-CB 4.2Å; R889-T914 PolarHBondContact NH2-O 2.83Å
890	N	92	Very high	93.7	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.027	14%	0.143	C	C	.	.			trans	-132.6	-178.1	174.5	62.2	47.3	0	0	0	109.3	T589 E888 K892 Q893	T589-N890 HydrophobicContact CG2-CB 4.09Å; E888-N890 PolarHBondContact OE1-ND2 3.23Å; N890-K892 PolarHBondContact O-N 3.41Å; N890-K892 VanDerWaalsContact O-N 3.12Å; N890-K892 WeakPolarHBondContact OD1-CA 3.23Å; N890-K892 WeakPolarHBondContact OD1-CB 3.13Å; N890-K892 PolarHBondContact OD1-N 3.25Å; N890-Q893 PolarHBondContact N-O 2.92Å; N890-Q893 PolarHBondContact OD1-N 3.07Å; N890-Q893 PolarHBondContact OD1-O 2.82Å
891	V	89.5	Confident	94.2	Very high	30 Å²	30	31.6 Å²	31.6	18%	0.182	14%	0.14	C	C	.	.	S	Bend	trans	-66.2	-11.6	-178.2	-61.2	0	0	0	0	114.1	H562 F576 T589	H562-V891 HydrophobicContact CB-CG2 4.17Å; F576-V891 HydrophobicContact CE1-CG2 3.96Å; F576-V891 HydrophobicContact CZ-CG2 3.61Å; T589-V891 HydrophobicContact CG2-CG2 4.43Å
892	K	90.9	Very high	94.5	Very high	45 Å²	45	34.3 Å²	34.3	20%	0.196	16%	0.162	C	C	.	.	S	Bend	trans	-102.4	-38.3	-179.8	-75.5	-66.9	-167.5	-172.3	0	113.5	S575 F576 A588 T589 N890 A908	S575-K892 PolarHBondContact OG-NZ 2.63Å; F576-K892 VanDerWaalsContact CD1-CE 3.47Å; F576-K892 HydrophobicContact CE1-CD 4.13Å; F576-K892 HydrophobicContact CE1-CG 4.29Å; F576-K892 HydrophobicContact CE2-CD 4.45Å; F576-K892 VanDerWaalsContact CE2-CE 3.5Å; F576-K892 HydrophobicContact CE2-CG 4.14Å; F576-K892 HydrophobicContact CZ-CD 4.05Å; F576-K892 HydrophobicContact CZ-CG 3.75Å; F576-K892 WeakPolarHBondContact O-CE 3.32Å; F576-K892 PolarHBondContact O-NZ 3.48Å; A588-K892 HydrophobicContact CB-CB 3.99Å; A588-K892 HydrophobicContact CB-CG 4.45Å; T589-K892 HydrophobicContact CG2-CG 4.39Å; N890-K892 PolarHBondContact O-N 3.41Å; N890-K892 VanDerWaalsContact O-N 3.12Å; N890-K892 WeakPolarHBondContact OD1-CA 3.23Å; N890-K892 WeakPolarHBondContact OD1-CB 3.13Å; N890-K892 PolarHBondContact OD1-N 3.25Å; K892-A908 WeakPolarHBondContact O-CB 3.43Å; K892-A908 PolarHBondContact O-N 2.77Å
893	Q	94.2	Very high	94.6	Very high	33 Å²	33	36.9 Å²	36.9	15%	0.154	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	164	-172.2	64.2	-175.5	33.7	0	0	111.4	A588 N890 I905 R906	A588-Q893 HydrophobicContact CB-CG 4.09Å; N890-Q893 PolarHBondContact N-O 2.92Å; N890-Q893 PolarHBondContact OD1-N 3.07Å; N890-Q893 PolarHBondContact OD1-O 2.82Å; Q893-I905 HydrophobicContact CB-CG2 3.91Å; Q893-I905 HydrophobicContact CG-CG2 4.18Å; Q893-R906 CarbonylContact C-O 3.6Å; Q893-R906 VanDerWaalsContact CA-O 3.23Å; Q893-R906 WeakPolarHBondContact CA-O 3.29Å; Q893-R906 WeakPolarHBondContact CB-O 3.43Å
894	A	95.7	Very high	94.8	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.6	160.3	0	0	0	0	0	109.6	F858 F860 I869 E888 R889 I905 R906	F858-A894 HydrophobicContact CE1-CB 4.24Å; F860-A894 HydrophobicContact CE1-CB 3.42Å; F860-A894 VanDerWaalsContact CE1-CB 3.42Å; F860-A894 HydrophobicContact CZ-CB 3.46Å; F860-A894 VanDerWaalsContact CZ-CB 3.46Å; I869-A894 VanDerWaalsContact CD1-C 3.49Å; I869-A894 HydrophobicContact CD1-CB 3.67Å; I869-A894 WeakPolarHBondContact CD1-O 3.44Å; E888-A894 CarbonylContact O-C 3.6Å; E888-A894 WeakPolarHBondContact O-CA 3.16Å; R889-A894 HydrophobicContact CB-CB 4.1Å; R889-A894 HydrophobicContact CG-CB 4.2Å; A894-I905 CarbonylContact O-C 3.57Å; A894-I905 WeakPolarHBondContact O-CA 3.5Å; A894-R906 PolarHBondContact N-O 2.96Å; A894-R906 PolarHBondContact O-N 2.85Å
895	S	96.2	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.1	-177.6	79.1	0	0	0	0	112.4	A887 E888 Q903 Q904	A887-S895 WeakPolarHBondContact CA-O 3.49Å; E888-S895 PolarHBondContact N-O 3.5Å; E888-S895 PolarHBondContact O-N 2.98Å; S895-Q903 VanDerWaalsContact CB-NE2 3.32Å; S895-Q903 PolarHBondContact OG-NE2 2.84Å; S895-Q904 CarbonylContact C-O 3.38Å; S895-Q904 WeakPolarHBondContact CA-O 3.37Å; S895-Q904 WeakPolarHBondContact CB-O 3.17Å
896	L	98.3	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.1	173.5	178.5	63.6	0	0	0	108.9	L848 V856 F858 I869 V871 V885 A887 Q904	L848-L896 HydrophobicContact CD2-CD1 4.1Å; V856-L896 HydrophobicContact CG1-CD1 4.44Å; V856-L896 HydrophobicContact CG1-CD2 4.22Å; V856-L896 WeakPolarHBondContact O-CD2 3.31Å; F858-L896 HydrophobicContact CB-CB 4.22Å; F858-L896 HydrophobicContact CB-CD1 4.17Å; F858-L896 HydrophobicContact CB-CD2 3.96Å; F858-L896 HydrophobicContact CB-CG 4.34Å; I869-L896 HydrophobicContact CB-CB 4.37Å; I869-L896 HydrophobicContact CG2-CB 3.84Å; I869-L896 WeakPolarHBondContact O-CD2 3.12Å; V871-L896 HydrophobicContact CB-CD2 4.24Å; V871-L896 HydrophobicContact CB-CG 4.48Å; V871-L896 HydrophobicContact CG2-CB 4.1Å; V871-L896 HydrophobicContact CG2-CD2 3.81Å; V871-L896 HydrophobicContact CG2-CG 3.68Å; V871-L896 WeakPolarHBondContact CG2-O 3.04Å; V885-L896 HydrophobicContact CG1-CD1 3.83Å; A887-L896 HydrophobicContact CB-CD1 3.98Å; L896-Q904 PolarHBondContact N-O 2.79Å; L896-Q904 PolarHBondContact O-N 2.84Å
897	Q	97.1	Very high	94.5	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.238	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.4	171.5	171.1	171.9	55.9	0	0	109.5	T886 L901 Q903	T886-Q897 PolarHBondContact N-O 2.84Å; T886-Q897 PolarHBondContact O-N 2.86Å; T886-Q897 WeakPolarHBondContact OG1-CB 3.44Å; T886-Q897 PolarHBondContact OG1-O 3.17Å; Q897-L901 PolarHBondContact NE2-O 3.24Å; Q897-Q903 HydrophobicContact CB-CB 4.17Å; Q897-Q903 HydrophobicContact CB-CG 4.2Å
898	V	98	Very high	94.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.8	175.2	-176.3	0	0	0	0	107.5	V856 V871 L877 R884 V885 R900 L901	V856-V898 HydrophobicContact CB-CG2 3.72Å; V856-V898 HydrophobicContact CG1-CG2 4.09Å; V856-V898 HydrophobicContact CG2-CG1 4.39Å; V856-V898 HydrophobicContact CG2-CG2 3.84Å; V871-V898 HydrophobicContact CB-CG2 3.84Å; V871-V898 HydrophobicContact CG1-CB 3.94Å; V871-V898 HydrophobicContact CG1-CG2 3.82Å; V871-V898 HydrophobicContact CG2-CG2 4.33Å; L877-V898 HydrophobicContact CD1-CG1 4.23Å; L877-V898 HydrophobicContact CD2-CG1 4.27Å; R884-V898 CarbonylContact O-C 3.59Å; R884-V898 VanDerWaalsContact O-CA 3.29Å; R884-V898 WeakPolarHBondContact O-CA 3.36Å; V885-V898 HydrophobicContact CG2-CG2 4.49Å; V898-R900 PolarHBondContact O-N 2.73Å; V898-L901 VanDerWaalsContact O-CB 3.25Å; V898-L901 WeakPolarHBondContact O-CB 3.5Å; V898-L901 WeakPolarHBondContact O-CG 3.37Å; V898-L901 PolarHBondContact O-N 2.79Å
899	D	94.4	Very high	93.6	Very high	52 Å²	52	59 Å²	59	28%	0.278	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	-125.3	-174.2	-60.7	-35.1	0	0	0	112.3	H883 R884	H883-D899 WeakPolarHBondContact CA-OD1 3.39Å; H883-D899 IonicContact CE1-OD2 3.86Å; H883-D899 IonicContact CG-OD2 2.69Å; H883-D899 IonicContact ND1-OD1 3.46Å; H883-D899 IonicContact ND1-OD2 3.33Å; H883-D899 PolarHBondContact ND1-OD2 2.91Å; R884-D899 PolarHBondContact N-OD1 2.9Å; R884-D899 PolarHBondContact O-N 3.34Å
900	R	88.4	Confident	92.7	Very high	214 Å²	214	63 Å²	63	81%	0.808	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	13.3	177.4	-60.7	-177.9	-178.2	171.6	1.4	112.3	V898	V898-R900 PolarHBondContact O-N 2.73Å
901	L	95.5	Very high	91.9	Very high	39 Å²	39	67.4 Å²	67.4	20%	0.204	33%	0.333	C	S	.	.	S	Bend	trans	-67.1	154.3	176.9	-60.5	175.4	0	0	0	110.2	V871 Q897 V898 Q903	V871-L901 HydrophobicContact CG1-CB 4.36Å; V871-L901 HydrophobicContact CG1-CD1 3.85Å; Q897-L901 PolarHBondContact NE2-O 3.24Å; V898-L901 VanDerWaalsContact O-CB 3.25Å; V898-L901 WeakPolarHBondContact O-CB 3.5Å; V898-L901 WeakPolarHBondContact O-CG 3.37Å; V898-L901 PolarHBondContact O-N 2.79Å; L901-Q903 PolarHBondContact O-N 2.81Å
902	P	95.2	Very high	91.4	Very high	99 Å²	99	66.5 Å²	66.5	64%	0.643	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-56.3	128.4	176.4	-25	34.5	0	0	0	111.7	Q904	P902-Q904 PolarHBondContact O-N 3.06Å
903	Q	93.7	Very high	91	Very high	74 Å²	74	67.1 Å²	67.1	35%	0.346	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-60.1	127	176.5	-174.9	-179.4	34	0	0	110.3	S895 Q897 L901 I905	S895-Q903 VanDerWaalsContact CB-NE2 3.32Å; S895-Q903 PolarHBondContact OG-NE2 2.84Å; Q897-Q903 HydrophobicContact CB-CB 4.17Å; Q897-Q903 HydrophobicContact CB-CG 4.2Å; L901-Q903 PolarHBondContact O-N 2.81Å; Q903-I905 HydrophobicContact CG-CG1 4.03Å
904	Q	97.1	Very high	90.5	Very high	92 Å²	92	67 Å²	67	43%	0.43	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.5	172.9	-65.1	-59.3	-42.8	0	0	108.9	I869 V871 S895 L896 P902	I869-Q904 HydrophobicContact CG2-CB 3.66Å; V871-Q904 HydrophobicContact CG2-CB 4.17Å; V871-Q904 HydrophobicContact CG2-CG 3.75Å; S895-Q904 CarbonylContact C-O 3.38Å; S895-Q904 WeakPolarHBondContact CA-O 3.37Å; S895-Q904 WeakPolarHBondContact CB-O 3.17Å; L896-Q904 PolarHBondContact N-O 2.79Å; L896-Q904 PolarHBondContact O-N 2.84Å; P902-Q904 PolarHBondContact O-N 3.06Å
905	I	95.2	Very high	90.1	Very high	86 Å²	86	70.8 Å²	70.8	44%	0.441	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135	-173.5	-58.7	174.5	0	0	0	109.5	Q893 A894 Q903	Q893-I905 HydrophobicContact CB-CG2 3.91Å; Q893-I905 HydrophobicContact CG-CG2 4.18Å; A894-I905 CarbonylContact O-C 3.57Å; A894-I905 WeakPolarHBondContact O-CA 3.5Å; Q903-I905 HydrophobicContact CG-CG1 4.03Å
906	R	94.5	Very high	89.7	Confident	112 Å²	112	71.1 Å²	71.1	42%	0.423	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.5	171.3	-176	169.8	170.4	167.1	-2.5	109.6	E868 I869 Q893 A894	E868-R906 PolarHBondContact O-NH1 3.5Å; I869-R906 HydrophobicContact CD1-CB 3.85Å; I869-R906 HydrophobicContact CG1-CB 4.07Å; Q893-R906 CarbonylContact C-O 3.6Å; Q893-R906 VanDerWaalsContact CA-O 3.23Å; Q893-R906 WeakPolarHBondContact CA-O 3.29Å; Q893-R906 WeakPolarHBondContact CB-O 3.43Å; A894-R906 PolarHBondContact N-O 2.96Å; A894-R906 PolarHBondContact O-N 2.85Å
907	K	92.3	Very high	89.2	Confident	180 Å²	180	75.6 Å²	75.6	78%	0.783	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	140.9	178	-66.8	-175.7	178.5	-179.3	0	110.9
908	A	89	Confident	88.9	Confident	36 Å²	36	74.1 Å²	74.1	30%	0.298	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-74.1	148.6	170.4	0	0	0	0	0	110.1	K892	K892-A908 WeakPolarHBondContact O-CB 3.43Å; K892-A908 PolarHBondContact O-N 2.77Å
909	P	85.4	Confident	88.4	Confident	76 Å²	76	81 Å²	81	49%	0.494	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-55.9	140.7	168.3	-22.2	33.4	0	0	0	111.2	E911	P909-E911 VanDerWaalsContact C-N 3.31Å; P909-E911 WeakPolarHBondContact CB-O 3.48Å
910	T	75	Confident	88.2	Confident	96 Å²	96	80 Å²	80	59%	0.589	39%	0.388	S	S	*	.	S	Bend	trans	-67.7	-33.7	177	46.2	0	0	0	0	112.3
911	E	73.7	Confident	88.4	Confident	97 Å²	97	74.4 Å²	74.4	45%	0.453	37%	0.371	S	S	.	.	S	Bend	trans	-123.2	127.8	172.2	-62.7	-175.3	177	0	0	108	R114 P909	R114-E911 IonicContact NH2-OE2 2.78Å; P909-E911 VanDerWaalsContact C-N 3.31Å; P909-E911 WeakPolarHBondContact CB-O 3.48Å
912	G	79.5	Confident	88.3	Confident	11 Å²	11	72.6 Å²	72.6	11%	0.113	36%	0.362	C	S	.	.	S	Bend	trans	161.9	-179.1	-178.8	0	0	0	0	0	111.7	N864	N864-G912 WeakPolarHBondContact OD1-CA 3.06Å
913	H	83.4	Confident	88.2	Confident	57 Å²	57	69.8 Å²	69.8	26%	0.264	34%	0.34	S	S	.	.			trans	-68	137.2	173.8	-69.9	-78.6	0	0	0	111	D130 W134 V862 G863 N864	D130-H913 IonicContact OD2-ND1 2.75Å; D130-H913 PolarHBondContact OD2-ND1 2.84Å; W134-H913 AromaticContact CH2-CD2 3.69Å; W134-H913 AromaticContact CH2-CE1 3.27Å; W134-H913 WeakPolarHBondContact CH2-CE1 3.24Å; W134-H913 AromaticContact CH2-CG 3.74Å; W134-H913 AromaticContact CH2-ND1 3.46Å; W134-H913 WeakPolarHBondContact CH2-ND1 3.35Å; W134-H913 AromaticContact CH2-NE2 3.38Å; W134-H913 WeakPolarHBondContact CH2-NE2 3.49Å; W134-H913 AromaticContact CZ2-CE1 3.33Å; W134-H913 WeakPolarHBondContact CZ2-CE1 3.48Å; W134-H913 AromaticContact CZ2-NE2 3.37Å; W134-H913 WeakPolarHBondContact CZ2-NE2 3.44Å; V862-H913 WeakPolarHBondContact O-CB 3.35Å; G863-H913 PolarHBondContact O-CD2 3.45Å; N864-H913 PolarHBondContact ND2-N 2.03Å; N864-H913 PolarHBondContact ND2-O 2.03Å; N864-H913 PolarHBondContact OD1-N 2.91Å
914	T	83.9	Confident	88.2	Confident	30 Å²	30	66.3 Å²	66.3	18%	0.184	32%	0.323	C	S	.	.			trans	-122.9	-3.5	178.9	61.1	0	0	0	0	113.2	R889	R889-T914 PolarHBondContact NH2-O 2.83Å
915	R	86.4	Confident	87.7	Confident	84 Å²	84	61.9 Å²	61.9	32%	0.317	30%	0.303	S	S	.	.			trans	-101	133.2	178.7	-63.1	-173.9	-167.2	-119.5	3.9	110.9	D130 E818	D130-R915 IonicContact OD1-NE 3.63Å; D130-R915 PolarHBondContact OD1-NE 2.88Å; E818-R915 CarbonylContact O-C 3.47Å; E818-R915 VanDerWaalsContact O-CA 3.25Å; E818-R915 WeakPolarHBondContact O-CA 3.42Å; E818-R915 IonicContact OE2-NH1 3.71Å; E818-R915 PolarHBondContact OE2-NH1 3.47Å
916	L	87.6	Confident	86.6	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.037	28%	0.283	C	S	.	.			trans	-96	109.9	173.8	-179.3	68.1	0	0	0	108.9	E818 D844 I846 D861 V862 L918	E818-L916 PolarHBondContact O-N 2.79Å; D844-L916 HydrophobicContact CB-CD1 4.06Å; I846-L916 HydrophobicContact CB-CD2 4.23Å; I846-L916 HydrophobicContact CD1-CD2 4.26Å; I846-L916 HydrophobicContact CG2-CD2 4.3Å; D861-L916 VanDerWaalsContact O-CD1 3.3Å; D861-L916 WeakPolarHBondContact O-CD1 3.4Å; V862-L916 HydrophobicContact CG1-CB 4.02Å; V862-L916 HydrophobicContact CG1-CD1 3.69Å; V862-L916 HydrophobicContact CG1-CG 4.44Å; L916-L918 HydrophobicContact CD1-CD2 4.14Å; L916-L918 HydrophobicContact CD1-CG 4.42Å; L916-L918 HydrophobicContact CD2-CD1 3.81Å; L916-L918 HydrophobicContact CD2-CG 4.22Å; L916-L918 HydrophobicContact CG-CD1 4.07Å; L916-L918 HydrophobicContact CG-CD2 4.18Å; L916-L918 HydrophobicContact CG-CG 3.91Å
917	E	88.1	Confident	85.1	Confident	94 Å²	94	53 Å²	53	44%	0.439	27%	0.266	S	S	.	.			trans	-100.4	97	-177.6	-68.1	-171	-179.9	0	0	112.3	G841 D844 Y919	G841-E917 VanDerWaalsContact CA-O 3.3Å; G841-E917 WeakPolarHBondContact CA-O 3.49Å; D844-E917 PolarHBondContact OD2-N 3Å; E917-Y919 HydrophobicContact CB-CE2 4.13Å; E917-Y919 PolarHBondContact OE2-OH 3.4Å
918	L	91.5	Very high	83.5	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.105	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-103.9	144.6	-179.4	-58	171.8	0	0	0	111.4	T814 F815 N839 I846 L916	T814-L918 HydrophobicContact CG2-CB 3.7Å; F815-L918 HydrophobicContact CB-CD1 4.14Å; F815-L918 HydrophobicContact CD1-CD1 4.06Å; N839-L918 HydrophobicContact CB-CD1 3.91Å; N839-L918 HydrophobicContact CB-CD2 4.42Å; N839-L918 WeakPolarHBondContact O-CD2 3.35Å; I846-L918 HydrophobicContact CG2-CD1 3.93Å; L916-L918 HydrophobicContact CD1-CD2 4.14Å; L916-L918 HydrophobicContact CD1-CG 4.42Å; L916-L918 HydrophobicContact CD2-CD1 3.81Å; L916-L918 HydrophobicContact CD2-CG 4.22Å; L916-L918 HydrophobicContact CG-CD1 4.07Å; L916-L918 HydrophobicContact CG-CD2 4.18Å; L916-L918 HydrophobicContact CG-CG 3.91Å
919	Y	87.6	Confident	82	Confident	145 Å²	145	50.2 Å²	50.2	57%	0.569	29%	0.292	S	S	*	.			trans	-132.9	-17.8	-177.9	-55.3	-74.3	0	0	0	113.5	M840 K842 E917	M840-Y919 PolarHBondContact O-N 2.95Å; M840-Y919 VanDerWaalsContact O-N 3.11Å; K842-Y919 HydrophobicContact CB-CD2 4.41Å; K842-Y919 HydrophobicContact CB-CE2 4.25Å; E917-Y919 HydrophobicContact CB-CE2 4.13Å; E917-Y919 PolarHBondContact OE2-OH 3.4Å
920	S	89.9	Confident	81.1	Confident	30 Å²	30	51.9 Å²	51.9	21%	0.21	29%	0.293	C	S	.	.	S	Bend	trans	-81.3	163.9	175.4	81.4	0	0	0	0	111.7	T814 N839 M840	T814-S920 WeakPolarHBondContact CA-O 3.43Å; T814-S920 VanDerWaalsContact CB-O 3.3Å; T814-S920 WeakPolarHBondContact CB-O 3.45Å; T814-S920 WeakPolarHBondContact CG2-O 3.48Å; T814-S920 PolarHBondContact OG1-O 3.29Å; N839-S920 PolarHBondContact ND2-O 3.41Å; N839-S920 PolarHBondContact ND2-OG 3.1Å; M840-S920 PolarHBondContact N-OG 2.95Å; M840-S920 WeakPolarHBondContact O-CB 3.34Å; M840-S920 PolarHBondContact O-N 2.99Å; M840-S920 PolarHBondContact O-OG 3.02Å
921	Q	91.5	Very high	80.8	Confident	97 Å²	97	52.9 Å²	52.9	45%	0.453	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-60.5	152.9	160	-69.9	-179.1	-51.5	0	0	110.1	H811 F812	H811-Q921 HydrophobicContact CB-CB 4.47Å; H811-Q921 PolarHBondContact CD2-NE2 3.37Å; F812-Q921 WeakPolarHBondContact O-CA 3.34Å; F812-Q921 VanDerWaalsContact O-CB 3.29Å; F812-Q921 WeakPolarHBondContact O-CB 3.29Å
922	L	93.6	Very high	80.8	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.3	171.3	171.5	69.3	0	0	0	108.6	H811 F812 L837 N839 V924 M942 L947	H811-L922 CarbonylContact C-O 3.4Å; H811-L922 VanDerWaalsContact CA-O 3.23Å; H811-L922 WeakPolarHBondContact CA-O 3.3Å; F812-L922 HydrophobicContact CB-CB 4.21Å; F812-L922 HydrophobicContact CB-CD2 4.2Å; F812-L922 PolarHBondContact N-O 3.41Å; F812-L922 PolarHBondContact O-N 3.4Å; F812-L922 VanDerWaalsContact O-N 3.14Å; L837-L922 HydrophobicContact CB-CD1 4.33Å; L837-L922 HydrophobicContact CD1-CD1 4.42Å; N839-L922 HydrophobicContact CB-CD1 3.89Å; L922-V924 HydrophobicContact CD2-CG2 4.34Å; L922-V924 HydrophobicContact CG-CG2 4.25Å; L922-M942 HydrophobicContact CD1-CE 4.38Å; L922-M942 HydrophobicContact CD1-SD 4.5Å; L922-M942 HydrophobicContact CD2-CE 4.15Å; L922-M942 HydrophobicContact CD2-SD 3.36Å; L922-M942 WeakPolarHBondContact CD2-SD 3.49Å; L922-L947 HydrophobicContact CD2-CD1 3.67Å
923	F	92.7	Very high	81.3	Confident	40 Å²	40	47.9 Å²	47.9	18%	0.175	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.9	173.5	-61.3	-82.7	0	0	0	110.2	Y809 H811 L837 E838 G926	Y809-F923 AromaticContact CD2-CD1 3.48Å; Y809-F923 HydrophobicContact CD2-CD1 3.48Å; Y809-F923 VanDerWaalsContact CD2-CD1 3.48Å; Y809-F923 AromaticContact CD2-CE1 3.96Å; Y809-F923 HydrophobicContact CD2-CE1 3.96Å; Y809-F923 AromaticContact CE2-CD1 3.67Å; Y809-F923 HydrophobicContact CE2-CD1 3.67Å; Y809-F923 AromaticContact CE2-CE1 3.63Å; Y809-F923 HydrophobicContact CE2-CE1 3.63Å; Y809-F923 HydrophobicContact CG-CD1 4.12Å; H811-F923 HydrophobicContact CB-CD1 4.46Å; L837-F923 CarbonylContact C-O 3.59Å; L837-F923 WeakPolarHBondContact CA-O 3.43Å; L837-F923 VanDerWaalsContact CB-O 3.3Å; L837-F923 WeakPolarHBondContact CB-O 3.47Å; E838-F923 PolarHBondContact N-O 3Å; E838-F923 PolarHBondContact O-N 2.69Å; F923-G926 WeakPolarHBondContact CB-O 3.35Å
924	V	93.9	Very high	81.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.4	177.4	-179.9	0	0	0	0	108.5	F803 Y809 L810 F812 F836 L837 L922 G926 I937 L940 L949	F803-V924 WeakPolarHBondContact CE1-O 3.48Å; F803-V924 HydrophobicContact CZ-CG1 4.03Å; Y809-V924 CarbonylContact C-O 3.33Å; Y809-V924 VanDerWaalsContact CA-O 3.25Å; Y809-V924 WeakPolarHBondContact CA-O 3.5Å; Y809-V924 WeakPolarHBondContact CB-O 3.23Å; L810-V924 PolarHBondContact N-O 2.73Å; L810-V924 PolarHBondContact O-N 3.05Å; F812-V924 HydrophobicContact CD2-CG2 3.83Å; F812-V924 HydrophobicContact CE2-CB 4.34Å; F812-V924 HydrophobicContact CE2-CG2 3.93Å; F836-V924 CarbonylContact O-C 3.58Å; F836-V924 WeakPolarHBondContact O-CA 3.34Å; L837-V924 HydrophobicContact CB-CG2 4.28Å; L922-V924 HydrophobicContact CD2-CG2 4.34Å; L922-V924 HydrophobicContact CG-CG2 4.25Å; V924-G926 VanDerWaalsContact C-N 3.33Å; V924-I937 HydrophobicContact CG1-CD1 4.05Å; V924-L940 HydrophobicContact CB-CD2 4.48Å; V924-L940 HydrophobicContact CG1-CD2 3.85Å; V924-L940 HydrophobicContact CG2-CD2 3.74Å; V924-L949 HydrophobicContact CG1-CD2 4.28Å
925	G	87.1	Confident	81.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	82.8	1.1	-177.9	0	0	0	0	0	115.2	S808 V835 F836 G932 F933	S808-G925 CarbonylContact O-C 3.58Å; S808-G925 VanDerWaalsContact O-O 3.13Å; V835-G925 CarbonylContact O-C 3.6Å; F836-G925 PolarHBondContact O-N 2.93Å; G925-G932 CarbonylContact O-C 3.58Å; G925-G932 WeakPolarHBondContact O-CA 3.19Å; G925-F933 PolarHBondContact O-N 3.37Å
926	G	72.2	Confident	81.9	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.021	25%	0.254	C	S	.	.			trans	-174	162	176	0	0	0	0	0	112.4	F923 V924	F923-G926 WeakPolarHBondContact CB-O 3.35Å; V924-G926 VanDerWaalsContact C-N 3.33Å
927	A	64.1	Low	82.2	Confident	8 Å²	8	43.4 Å²	43.4	7%	0.066	25%	0.253	C	S	.	.			trans	-127.4	149.4	-178.7	0	0	0	0	0	109.3	V835 E838 G929 Q930	V835-A927 HydrophobicContact CB-CB 4.23Å; V835-A927 HydrophobicContact CG1-CB 4.04Å; V835-A927 HydrophobicContact CG2-CB 4.08Å; E838-A927 HydrophobicContact CB-CB 4.28Å; E838-A927 WeakPolarHBondContact OE2-CA 3.45Å; E838-A927 WeakPolarHBondContact OE2-CB 3.46Å; A927-G929 PolarHBondContact O-N 3.01Å; A927-Q930 HydrophobicContact CB-CB 4.21Å; A927-Q930 PolarHBondContact O-N 3.34Å; A927-Q930 VanDerWaalsContact O-N 3.14Å
928	G	57.7	Low	82.5	Confident	78 Å²	78	39 Å²	39	80%	0.804	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	63.9	-171.6	0	0	0	0	0	115.5	E838	E838-G928 PolarHBondContact OE2-N 2.89Å
929	G	58	Low	82.6	Confident	80 Å²	80	38.5 Å²	38.5	83%	0.825	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	132.2	-2.1	-179.3	0	0	0	0	0	115.8	A927	A927-G929 PolarHBondContact O-N 3.01Å
930	Q	65.5	Low	83	Confident	111 Å²	111	31.7 Å²	31.7	52%	0.519	20%	0.204	S	C	.	.	S	Bend	trans	-107	168.7	179	-62	-158.7	-29.4	0	0	112.7	V835 A927 G932	V835-Q930 HydrophobicContact CG2-CB 4.47Å; A927-Q930 HydrophobicContact CB-CB 4.21Å; A927-Q930 PolarHBondContact O-N 3.34Å; A927-Q930 VanDerWaalsContact O-N 3.14Å; Q930-G932 PolarHBondContact O-N 3.02Å
931	Q	69.5	Low	83.2	Confident	118 Å²	118	31.2 Å²	31.2	55%	0.551	20%	0.198	S	C	*	.			trans	-66.9	111.4	169.3	-91.8	174.2	-22.3	0	0	109.4
932	G	73.7	Confident	83.2	Confident	3 Å²	3	27 Å²	27	3%	0.031	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-68	164	173.6	0	0	0	0	0	112.6	P806 G925 Q930	P806-G932 WeakPolarHBondContact O-CA 3.09Å; P806-G932 PolarHBondContact O-N 3.46Å; G925-G932 CarbonylContact O-C 3.58Å; G925-G932 WeakPolarHBondContact O-CA 3.19Å; Q930-G932 PolarHBondContact O-N 3.02Å
933	F	88.9	Confident	82.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.187	C	C	.	.			trans	-68.7	130.9	177.8	172.4	-99.9	0	0	0	110.7	F803 F827 T829 V835 F836 G925 G935 I937	F803-F933 HydrophobicContact CB-CD1 4.34Å; F803-F933 VanDerWaalsContact CB-O 3.24Å; F803-F933 WeakPolarHBondContact CB-O 3.45Å; F803-F933 HydrophobicContact CD2-CD1 4.07Å; F803-F933 HydrophobicContact CD2-CE1 4.3Å; F803-F933 HydrophobicContact CG-CD1 4.28Å; F827-F933 HydrophobicContact CB-CE2 4.37Å; F827-F933 HydrophobicContact CB-CZ 3.97Å; F827-F933 AromaticContact CD2-CE2 3.98Å; F827-F933 HydrophobicContact CD2-CE2 3.98Å; F827-F933 HydrophobicContact CD2-CZ 4.22Å; T829-F933 HydrophobicContact CG2-CE2 4.05Å; V835-F933 WeakPolarHBondContact O-CB 3.46Å; F836-F933 AromaticContact CD1-CD2 3.76Å; F836-F933 HydrophobicContact CD1-CD2 3.76Å; F836-F933 HydrophobicContact CD1-CE2 4.02Å; F836-F933 HydrophobicContact CD1-CG 4.09Å; F836-F933 AromaticContact CE1-CD2 3.53Å; F836-F933 HydrophobicContact CE1-CD2 3.53Å; F836-F933 AromaticContact CE1-CE2 3.44Å; F836-F933 HydrophobicContact CE1-CE2 3.44Å; F836-F933 VanDerWaalsContact CE1-CE2 3.44Å; F836-F933 HydrophobicContact CE1-CG 4.31Å; F836-F933 HydrophobicContact CE1-CZ 4.15Å; F836-F933 HydrophobicContact CZ-CE2 4.46Å; G925-F933 PolarHBondContact O-N 3.37Å; F933-G935 VanDerWaalsContact CE1-C 3.48Å; F933-I937 HydrophobicContact CD1-CD1 3.85Å; F933-I937 HydrophobicContact CD1-CG1 3.82Å; F933-I937 HydrophobicContact CE1-CD1 4.09Å; F933-I937 HydrophobicContact CE1-CG1 3.51Å; F933-I937 HydrophobicContact CZ-CG1 4.28Å
934	L	87	Confident	82.7	Confident	56 Å²	56	27.1 Å²	27.1	29%	0.293	18%	0.183	S	C	.	.			trans	-109	125.4	170.5	-177.2	150.6	0	0	0	108.3	F803 P806 T829	F803-L934 WeakPolarHBondContact O-CA 3.37Å; P806-L934 HydrophobicContact CG-CD1 4.16Å; T829-L934 WeakPolarHBondContact CB-O 3.27Å; T829-L934 PolarHBondContact OG1-O 2.84Å
935	G	89.5	Confident	82.5	Confident	17 Å²	17	31.5 Å²	31.5	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-146.3	-176.3	0	0	0	0	0	111.5	F803 K828 F933	F803-G935 PolarHBondContact N-O 2.04Å; F803-G935 PolarHBondContact O-N 2.81Å; K828-G935 WeakPolarHBondContact O-CA 3.21Å; F933-G935 VanDerWaalsContact CE1-C 3.48Å
936	C	91	Very high	82.8	Confident	8 Å²	8	32.7 Å²	32.7	5%	0.054	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135	-174.6	-100.1	0	0	0	0	110.8	S802 F827 K828 W882 C963	S802-C936 PolarHBondContact OG-SG 3.3Å; F827-C936 CarbonylContact C-O 3.42Å; F827-C936 WeakPolarHBondContact CA-O 3.16Å; K828-C936 HydrophobicContact CD-CB 4.33Å; K828-C936 HydrophobicContact CG-CB 3.68Å; K828-C936 PolarHBondContact N-O 3.44Å; K828-C936 PolarHBondContact O-N 2.9Å; W882-C936 HydrophobicContact CH2-CB 3.79Å; W882-C936 HydrophobicContact CZ2-CB 4.47Å; W882-C936 HydrophobicContact CZ3-CB 4.27Å; C936-C963 HydrophobicContact CB-CB 3.95Å; C936-C963 WeakPolarHBondContact CB-SG 3.32Å; C936-C963 WeakPolarHBondContact SG-CB 3.45Å; C936-C963 CovalentContact SG-SG 2.03Å; C936-C963 PolarHBondContact SG-SG 2.78Å
937	I	94.1	Very high	83.8	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.9	170	-57.9	179	0	0	0	108.2	A800 A801 F803 F825 Y826 F836 V924 F933 L940 L949	A800-I937 VanDerWaalsContact CA-O 3.29Å; A800-I937 WeakPolarHBondContact CA-O 3.41Å; A801-I937 PolarHBondContact N-O 3.14Å; A801-I937 PolarHBondContact O-N 2.78Å; A801-I937 VanDerWaalsContact O-N 3.14Å; F803-I937 HydrophobicContact CD2-CD1 4.42Å; F803-I937 HydrophobicContact CD2-CG1 4.24Å; F803-I937 HydrophobicContact CE2-CB 3.91Å; F803-I937 HydrophobicContact CE2-CD1 3.88Å; F803-I937 HydrophobicContact CE2-CG1 3.84Å; F803-I937 HydrophobicContact CZ-CD1 4.27Å; F825-I937 HydrophobicContact CB-CG2 4.18Å; F825-I937 HydrophobicContact CD2-CG2 4.04Å; F825-I937 HydrophobicContact CG-CG2 4.33Å; Y826-I937 CarbonylContact O-C 3.55Å; Y826-I937 WeakPolarHBondContact O-CA 3.09Å; F836-I937 HydrophobicContact CD1-CD1 4.27Å; V924-I937 HydrophobicContact CG1-CD1 4.05Å; F933-I937 HydrophobicContact CD1-CD1 3.85Å; F933-I937 HydrophobicContact CD1-CG1 3.82Å; F933-I937 HydrophobicContact CE1-CD1 4.09Å; F933-I937 HydrophobicContact CE1-CG1 3.51Å; F933-I937 HydrophobicContact CZ-CG1 4.28Å; I937-L940 HydrophobicContact CG2-CB 4.41Å; I937-L949 HydrophobicContact CB-CD1 4.34Å; I937-L949 HydrophobicContact CG2-CD1 3.99Å
938	R	93.3	Very high	85.3	Confident	1 Å²	1	37 Å²	37	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.9	-178.4	-179.8	172.2	76	110.3	-5.6	112.2	Y797 N799 A800 Y826 W882 L940 Y970	Y797-R938 WeakPolarHBondContact O-CD 3.47Å; Y797-R938 VanDerWaalsContact O-CG 3.29Å; Y797-R938 WeakPolarHBondContact O-CG 3.32Å; Y797-R938 PolarHBondContact O-NH1 2.9Å; Y797-R938 PolarHBondContact OH-NH2 2.89Å; N799-R938 CarbonylContact O-C 3.56Å; N799-R938 VanDerWaalsContact O-CA 3.32Å; N799-R938 WeakPolarHBondContact O-CA 3.45Å; N799-R938 WeakPolarHBondContact O-CG 3.3Å; A800-R938 HydrophobicContact CB-CB 3.76Å; A800-R938 HydrophobicContact CB-CG 3.82Å; Y826-R938 PolarHBondContact N-O 2.9Å; Y826-R938 PolarHBondContact O-N 2.84Å; W882-R938 HydrophobicContact CH2-CB 3.56Å; W882-R938 HydrophobicContact CH2-CG 4.49Å; W882-R938 HydrophobicContact CZ2-CB 4.44Å; W882-R938 HydrophobicContact CZ3-CB 3.64Å; R938-L940 VanDerWaalsContact C-N 3.26Å; R938-L940 PolarHBondContact O-N 3.46Å; R938-Y970 PolarHBondContact NH2-OH 3.02Å
939	S	93.8	Very high	87	Confident	11 Å²	11	33.3 Å²	33.3	8%	0.077	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52	45.1	175.6	-153.6	0	0	0	0	112	N796 N799 R941	N796-S939 WeakPolarHBondContact O-CB 3.47Å; N796-S939 PolarHBondContact O-OG 2.97Å; N799-S939 PolarHBondContact O-N 2.78Å; S939-R941 PolarHBondContact O-N 3.12Å; S939-R941 VanDerWaalsContact O-N 3.12Å
940	L	96.1	Very high	88.6	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	106.7	177.3	177.5	62.1	0	0	0	109.6	I823 S824 F825 L837 V924 I937 R938 M942 L947 L949	I823-L940 HydrophobicContact CG2-CD1 4.21Å; S824-L940 WeakPolarHBondContact O-CA 2.98Å; F825-L940 HydrophobicContact CB-CB 4.18Å; F825-L940 HydrophobicContact CB-CD1 3.8Å; F825-L940 HydrophobicContact CD1-CD1 3.74Å; F825-L940 HydrophobicContact CG-CD1 4.06Å; L837-L940 HydrophobicContact CD2-CD1 3.86Å; L837-L940 HydrophobicContact CD2-CD2 4.48Å; V924-L940 HydrophobicContact CB-CD2 4.48Å; V924-L940 HydrophobicContact CG1-CD2 3.85Å; V924-L940 HydrophobicContact CG2-CD2 3.74Å; I937-L940 HydrophobicContact CG2-CB 4.41Å; R938-L940 VanDerWaalsContact C-N 3.26Å; R938-L940 PolarHBondContact O-N 3.46Å; L940-M942 HydrophobicContact CD1-CG 4.48Å; L940-L947 HydrophobicContact CD2-CD1 4.04Å; L940-L947 HydrophobicContact CG-CD1 4.37Å; L940-L947 PolarHBondContact O-N 3.12Å; L940-L949 HydrophobicContact CB-CD1 3.98Å; L940-L949 HydrophobicContact CB-CD2 4.42Å; L940-L949 HydrophobicContact CB-CG 4.36Å; L940-L949 HydrophobicContact CD2-CD2 4.13Å
941	R	93.5	Very high	89.8	Confident	19 Å²	19	29.7 Å²	29.7	7%	0.072	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.6	176.9	-174	-178.1	-62.7	-98.4	10.7	110.1	P616 D617 I823 S824 S939 G944 V945	P616-R941 PolarHBondContact O-NH1 2.87Å; P616-R941 PolarHBondContact O-NH2 3.36Å; D617-R941 VanDerWaalsContact CA-NH1 3.34Å; D617-R941 PolarHBondContact O-NH1 2.88Å; I823-R941 WeakPolarHBondContact CA-O 3.31Å; S824-R941 PolarHBondContact N-O 2.78Å; S824-R941 PolarHBondContact O-N 2.79Å; S939-R941 PolarHBondContact O-N 3.12Å; S939-R941 VanDerWaalsContact O-N 3.12Å; R941-G944 PolarHBondContact NH1-O 2.9Å; R941-V945 CarbonylContact C-O 3.51Å; R941-V945 VanDerWaalsContact CA-O 3.31Å; R941-V945 WeakPolarHBondContact CA-O 3.15Å
942	M	91.8	Very high	90.9	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.039	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.4	174.9	-62.1	-172.8	78.7	0	0	109.8	F815 D822 I823 L922 L940 G944 V945 L947	F815-M942 HydrophobicContact CB-CE 4.17Å; F815-M942 HydrophobicContact CD1-CE 4.06Å; F815-M942 HydrophobicContact CD2-CB 4.19Å; F815-M942 HydrophobicContact CD2-CE 3.44Å; F815-M942 VanDerWaalsContact CD2-CE 3.44Å; F815-M942 HydrophobicContact CD2-SD 4.24Å; F815-M942 HydrophobicContact CE1-CE 4.31Å; F815-M942 HydrophobicContact CE2-CB 3.86Å; F815-M942 HydrophobicContact CE2-CE 3.75Å; F815-M942 HydrophobicContact CG-CE 3.61Å; F815-M942 HydrophobicContact CZ-CE 4.15Å; D822-M942 CarbonylContact O-C 3.59Å; D822-M942 VanDerWaalsContact O-CA 3.23Å; D822-M942 WeakPolarHBondContact O-CA 3.43Å; I823-M942 HydrophobicContact CD1-CE 3.69Å; I823-M942 HydrophobicContact CG1-CE 3.82Å; I823-M942 HydrophobicContact CG1-CG 4.34Å; I823-M942 HydrophobicContact CG2-CG 4.31Å; L922-M942 HydrophobicContact CD1-CE 4.38Å; L922-M942 HydrophobicContact CD1-SD 4.5Å; L922-M942 HydrophobicContact CD2-CE 4.15Å; L922-M942 HydrophobicContact CD2-SD 3.36Å; L922-M942 WeakPolarHBondContact CD2-SD 3.49Å; L940-M942 HydrophobicContact CD1-CG 4.48Å; M942-G944 VanDerWaalsContact C-N 3.31Å; M942-G944 PolarHBondContact O-N 3.32Å; M942-V945 PolarHBondContact N-O 2.81Å; M942-V945 PolarHBondContact O-N 2.79Å; M942-L947 HydrophobicContact CG-CD1 4.3Å; M942-L947 HydrophobicContact SD-CD1 3.76Å
943	N	88	Confident	91.6	Very high	38 Å²	38	27.4 Å²	27.4	20%	0.203	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	51.3	-177	-69.2	-4.3	0	0	0	112.4	F815 Q816 S820 A821 D822 V945	F815-N943 HydrophobicContact CE2-CB 4.3Å; F815-N943 WeakPolarHBondContact CE2-ND2 3.47Å; F815-N943 VanDerWaalsContact CZ-ND2 3.26Å; F815-N943 WeakPolarHBondContact CZ-ND2 3.48Å; Q816-N943 PolarHBondContact O-ND2 2.88Å; Q816-N943 VanDerWaalsContact O-ND2 3.09Å; S820-N943 PolarHBondContact O-ND2 2.84Å; A821-N943 WeakPolarHBondContact CA-OD1 3.45Å; D822-N943 PolarHBondContact N-OD1 2.89Å; D822-N943 PolarHBondContact O-N 3.49Å; N943-V945 PolarHBondContact O-N 3.12Å; N943-V945 VanDerWaalsContact O-N 3.12Å
944	G	87.6	Confident	91.5	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-11.8	-178.7	0	0	0	0	0	116.2	D617 R941 M942	D617-G944 WeakPolarHBondContact O-CA 3.42Å; R941-G944 PolarHBondContact NH1-O 2.9Å; M942-G944 VanDerWaalsContact C-N 3.31Å; M942-G944 PolarHBondContact O-N 3.32Å
945	V	90.6	Very high	91.6	Very high	92 Å²	92	34.9 Å²	34.9	56%	0.558	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.2	-179.9	-178.5	0	0	0	0	110.9	R941 M942 N943	R941-V945 CarbonylContact C-O 3.51Å; R941-V945 VanDerWaalsContact CA-O 3.31Å; R941-V945 WeakPolarHBondContact CA-O 3.15Å; M942-V945 PolarHBondContact N-O 2.81Å; M942-V945 PolarHBondContact O-N 2.79Å; N943-V945 PolarHBondContact O-N 3.12Å; N943-V945 VanDerWaalsContact O-N 3.12Å
946	T	92.6	Very high	91.3	Very high	24 Å²	24	35.6 Å²	35.6	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.3	173	-60.5	0	0	0	0	109.7	N796 N799 D948	N796-T946 HydrophobicContact CB-CG2 4.07Å; N799-T946 WeakPolarHBondContact ND2-CG2 2.94Å; T946-D948 PolarHBondContact O-N 2.91Å
947	L	94.2	Very high	90.6	Very high	28 Å²	28	40.8 Å²	40.8	15%	0.147	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-77.1	119.5	177.4	-63	-175.8	0	0	0	109.9	N799 F812 L922 L940 M942 L949	N799-L947 PolarHBondContact ND2-O 2.95Å; F812-L947 HydrophobicContact CD1-CB 4.28Å; F812-L947 HydrophobicContact CD1-CD1 4.31Å; F812-L947 HydrophobicContact CD1-CD2 4.28Å; F812-L947 HydrophobicContact CD2-CD1 4.25Å; F812-L947 HydrophobicContact CE1-CB 3.97Å; F812-L947 HydrophobicContact CG-CD1 4.1Å; F812-L947 HydrophobicContact CZ-CB 4.23Å; L922-L947 HydrophobicContact CD2-CD1 3.67Å; L940-L947 HydrophobicContact CD2-CD1 4.04Å; L940-L947 HydrophobicContact CG-CD1 4.37Å; L940-L947 PolarHBondContact O-N 3.12Å; M942-L947 HydrophobicContact CG-CD1 4.3Å; M942-L947 HydrophobicContact SD-CD1 3.76Å; L947-L949 PolarHBondContact O-N 2.66Å
948	D	94	Very high	89.5	Confident	73 Å²	73	43.5 Å²	43.5	39%	0.39	25%	0.252	S	S	.	.			trans	-68.5	92.3	-178.6	-163.2	-24.7	0	0	0	111.7	T946 E950 E951 R952	T946-D948 PolarHBondContact O-N 2.91Å; D948-E950 PolarHBondContact OD1-N 3.49Å; D948-E951 HydrophobicContact CB-CB 4.34Å; D948-E951 VanDerWaalsContact CG-CB 3.41Å; D948-E951 WeakPolarHBondContact OD1-CB 3.41Å; D948-E951 PolarHBondContact OD1-N 3.34Å; D948-E951 WeakPolarHBondContact OD2-CB 3.28Å; D948-R952 WeakPolarHBondContact O-CB 3.37Å; D948-R952 PolarHBondContact O-N 3.49Å
949	L	94.4	Very high	88.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.1	-38.2	178.9	-62.4	177.7	0	0	0	110.4	N799 A801 L810 F812 V924 I937 L940 L947 A953	N799-L949 WeakPolarHBondContact OD1-CA 3.48Å; N799-L949 WeakPolarHBondContact OD1-CB 3.48Å; N799-L949 PolarHBondContact OD1-N 2.96Å; A801-L949 HydrophobicContact CB-CB 3.89Å; L810-L949 HydrophobicContact CD1-CD2 4.34Å; F812-L949 HydrophobicContact CE2-CD2 4.04Å; F812-L949 HydrophobicContact CZ-CD2 3.9Å; V924-L949 HydrophobicContact CG1-CD2 4.28Å; I937-L949 HydrophobicContact CB-CD1 4.34Å; I937-L949 HydrophobicContact CG2-CD1 3.99Å; L940-L949 HydrophobicContact CB-CD1 3.98Å; L940-L949 HydrophobicContact CB-CD2 4.42Å; L940-L949 HydrophobicContact CB-CG 4.36Å; L940-L949 HydrophobicContact CD2-CD2 4.13Å; L947-L949 PolarHBondContact O-N 2.66Å; L949-A953 WeakPolarHBondContact O-CB 3.24Å; L949-A953 PolarHBondContact O-N 3.26Å
950	E	90.7	Very high	87.7	Confident	25 Å²	25	49.2 Å²	49.2	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-53.9	-177.5	169.1	166.4	-169.3	0	0	111.2	N799 D948 R952 A953 K954 S961	N799-E950 PolarHBondContact OD1-N 2.78Å; D948-E950 PolarHBondContact OD1-N 3.49Å; E950-R952 VanDerWaalsContact C-N 3.3Å; E950-R952 PolarHBondContact O-N 2.96Å; E950-A953 PolarHBondContact O-N 2.93Å; E950-K954 HydrophobicContact CG-CD 4.42Å; E950-K954 WeakPolarHBondContact O-CG 3.32Å; E950-K954 PolarHBondContact O-N 2.83Å; E950-K954 VanDerWaalsContact OE1-CE 3.28Å; E950-K954 WeakPolarHBondContact OE1-CE 3.46Å; E950-K954 IonicContact OE1-NZ 3.6Å; E950-K954 PolarHBondContact OE1-NZ 3.45Å; E950-S961 WeakPolarHBondContact CG-OG 3.23Å; E950-S961 PolarHBondContact OE1-OG 3.28Å
951	E	90.9	Very high	87	Confident	90 Å²	90	50.1 Å²	50.1	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-39.6	180	-169	58	-153.6	0	0	110.5	D948 A953 K954 V955	D948-E951 HydrophobicContact CB-CB 4.34Å; D948-E951 VanDerWaalsContact CG-CB 3.41Å; D948-E951 WeakPolarHBondContact OD1-CB 3.41Å; D948-E951 PolarHBondContact OD1-N 3.34Å; D948-E951 WeakPolarHBondContact OD2-CB 3.28Å; E951-A953 VanDerWaalsContact C-N 3.33Å; E951-A953 PolarHBondContact O-N 3.12Å; E951-K954 PolarHBondContact O-N 2.91Å; E951-V955 PolarHBondContact O-N 2.99Å
952	R	93.5	Very high	86.5	Confident	72 Å²	72	49.5 Å²	49.5	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-39.3	174.7	-176.7	54.2	62.8	113.9	19.3	112.4	L810 H811 F812 D948 E950 V955 T956	L810-R952 HydrophobicContact CB-CG 4.11Å; L810-R952 HydrophobicContact CD1-CB 4.47Å; L810-R952 HydrophobicContact CD1-CG 4.2Å; L810-R952 HydrophobicContact CD2-CG 4.14Å; L810-R952 HydrophobicContact CG-CG 4.37Å; H811-R952 PolarHBondContact NE2-NH1 2.86Å; H811-R952 PolarHBondContact O-NH1 2.93Å; F812-R952 HydrophobicContact CE1-CB 4.21Å; F812-R952 HydrophobicContact CE1-CG 4.31Å; F812-R952 HydrophobicContact CE2-CG 4.47Å; F812-R952 HydrophobicContact CZ-CB 3.95Å; F812-R952 HydrophobicContact CZ-CG 3.94Å; D948-R952 WeakPolarHBondContact O-CB 3.37Å; D948-R952 PolarHBondContact O-N 3.49Å; E950-R952 VanDerWaalsContact C-N 3.3Å; E950-R952 PolarHBondContact O-N 2.96Å; R952-V955 WeakPolarHBondContact O-CG2 3.13Å; R952-T956 WeakPolarHBondContact O-CB 3.14Å; R952-T956 PolarHBondContact O-N 3.38Å; R952-T956 PolarHBondContact O-OG1 2.88Å
953	A	88.3	Confident	86	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-68.1	-39.5	176.9	0	0	0	0	0	111.8	A801 L949 E950 E951 V955 T956 F959	A801-A953 HydrophobicContact CB-CB 4Å; L949-A953 WeakPolarHBondContact O-CB 3.24Å; L949-A953 PolarHBondContact O-N 3.26Å; E950-A953 PolarHBondContact O-N 2.93Å; E951-A953 VanDerWaalsContact C-N 3.33Å; E951-A953 PolarHBondContact O-N 3.12Å; A953-V955 VanDerWaalsContact C-N 3.31Å; A953-V955 PolarHBondContact O-N 2.81Å; A953-T956 PolarHBondContact O-N 3.37Å; A953-T956 VanDerWaalsContact O-N 3.16Å; A953-T956 VanDerWaalsContact O-O 3.06Å; A953-F959 HydrophobicContact CB-CB 3.95Å
954	K	87.4	Confident	85.2	Confident	109 Å²	109	52.2 Å²	52.2	47%	0.474	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-40.4	177.1	-75.5	172.3	-174.2	161.6	0	112.8	E950 E951 S961	E950-K954 HydrophobicContact CG-CD 4.42Å; E950-K954 WeakPolarHBondContact O-CG 3.32Å; E950-K954 PolarHBondContact O-N 2.83Å; E950-K954 VanDerWaalsContact OE1-CE 3.28Å; E950-K954 WeakPolarHBondContact OE1-CE 3.46Å; E950-K954 IonicContact OE1-NZ 3.6Å; E950-K954 PolarHBondContact OE1-NZ 3.45Å; E951-K954 PolarHBondContact O-N 2.91Å; K954-S961 WeakPolarHBondContact CE-OG 3.14Å
955	V	87.9	Confident	84.2	Confident	103 Å²	103	52.7 Å²	52.7	62%	0.624	31%	0.313	S	S	*	.	H	α-helix	trans	-84.9	-8.5	179.7	-57.2	0	0	0	0	113.7	E951 R952 A953	E951-V955 PolarHBondContact O-N 2.99Å; R952-V955 WeakPolarHBondContact O-CG2 3.13Å; A953-V955 VanDerWaalsContact C-N 3.31Å; A953-V955 PolarHBondContact O-N 2.81Å
956	T	83.6	Confident	83.2	Confident	33 Å²	33	48.5 Å²	48.5	20%	0.202	29%	0.287	C	S	.	.	S	Bend	trans	-102.9	118.1	-178.8	-52.7	0	0	0	0	110.8	L810 R952 A953 G958 F959	L810-T956 HydrophobicContact CD2-CG2 4.23Å; R952-T956 WeakPolarHBondContact O-CB 3.14Å; R952-T956 PolarHBondContact O-N 3.38Å; R952-T956 PolarHBondContact O-OG1 2.88Å; A953-T956 PolarHBondContact O-N 3.37Å; A953-T956 VanDerWaalsContact O-N 3.16Å; A953-T956 VanDerWaalsContact O-O 3.06Å; T956-G958 PolarHBondContact O-N 3.39Å; T956-F959 HydrophobicContact CG2-CD2 3.45Å; T956-F959 VanDerWaalsContact CG2-CD2 3.45Å; T956-F959 HydrophobicContact CG2-CE2 3.52Å; T956-F959 HydrophobicContact CG2-CG 4.46Å; T956-F959 PolarHBondContact O-N 2.91Å
957	S	75.7	Confident	82.6	Confident	117 Å²	117	48.8 Å²	48.8	82%	0.818	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	130.3	-178.9	56.3	0	0	0	0	112.7
958	G	72	Confident	81.5	Confident	59 Å²	59	51.3 Å²	51.3	61%	0.608	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	3	176.3	0	0	0	0	0	115.4	P804 T956	P804-G958 WeakPolarHBondContact CG-O 3.38Å; T956-G958 PolarHBondContact O-N 3.39Å
959	F	74.3	Confident	80.3	Confident	29 Å²	29	49 Å²	49	13%	0.127	30%	0.296	C	S	.	.			trans	-100.7	156.2	174.8	-73.8	-98.9	0	0	0	111.8	F803 S808 Y809 L810 A953 T956	F803-F959 AromaticContact CD1-CE1 3.8Å; F803-F959 HydrophobicContact CD1-CE1 3.8Å; F803-F959 AromaticContact CE1-CE1 3.92Å; F803-F959 HydrophobicContact CE1-CE1 3.92Å; S808-F959 WeakPolarHBondContact OG-CZ 3.48Å; Y809-F959 VanDerWaalsContact O-CZ 3.27Å; Y809-F959 WeakPolarHBondContact O-CZ 3.12Å; L810-F959 HydrophobicContact CD2-CD1 3.58Å; L810-F959 HydrophobicContact CD2-CD2 4.05Å; L810-F959 HydrophobicContact CD2-CE1 3.5Å; L810-F959 VanDerWaalsContact CD2-CE1 3.5Å; L810-F959 HydrophobicContact CD2-CE2 3.98Å; L810-F959 HydrophobicContact CD2-CG 3.84Å; L810-F959 HydrophobicContact CD2-CZ 3.7Å; L810-F959 HydrophobicContact CG-CD1 4.15Å; L810-F959 HydrophobicContact CG-CE1 3.85Å; L810-F959 HydrophobicContact CG-CZ 4.32Å; A953-F959 HydrophobicContact CB-CB 3.95Å; T956-F959 HydrophobicContact CG2-CD2 3.45Å; T956-F959 VanDerWaalsContact CG2-CD2 3.45Å; T956-F959 HydrophobicContact CG2-CE2 3.52Å; T956-F959 HydrophobicContact CG2-CG 4.46Å; T956-F959 PolarHBondContact O-N 2.91Å
960	I	73.9	Confident	79.4	Confident	102 Å²	102	50.1 Å²	50.1	52%	0.523	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.2	175	-57.3	168	0	0	0	107	S802	S802-I960 PolarHBondContact N-O 2.88Å
961	S	83.1	Confident	78.7	Confident	21 Å²	21	49.9 Å²	49.9	15%	0.147	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.3	173.2	134	0	0	0	0	109.2	E950 K954	E950-S961 WeakPolarHBondContact CG-OG 3.23Å; E950-S961 PolarHBondContact OE1-OG 3.28Å; K954-S961 WeakPolarHBondContact CE-OG 3.14Å
962	G	82.8	Confident	78.2	Confident	6 Å²	6	51.5 Å²	51.5	6%	0.062	32%	0.32	C	S	.	.	S	Bend	trans	82.4	179.6	-176.6	0	0	0	0	0	114.9	A800 S802	A800-G962 PolarHBondContact O-N 3.39Å; S802-G962 PolarHBondContact N-O 3.15Å; S802-G962 PolarHBondContact OG-O 2.84Å
963	C	80.8	Confident	77.7	Confident	14 Å²	14	49.9 Å²	49.9	10%	0.095	32%	0.317	C	S	.	.			trans	-147.7	141.7	-177.7	-73.1	0	0	0	0	110.1	A800 W882 C936	A800-C963 HydrophobicContact CB-CB 4.37Å; W882-C963 HydrophobicContact CH2-CB 4.05Å; W882-C963 HydrophobicContact CZ2-CB 3.83Å; C936-C963 HydrophobicContact CB-CB 3.95Å; C936-C963 WeakPolarHBondContact CB-SG 3.32Å; C936-C963 WeakPolarHBondContact SG-CB 3.45Å; C936-C963 CovalentContact SG-SG 2.03Å; C936-C963 PolarHBondContact SG-SG 2.78Å
964	S	71.8	Confident	77.5	Confident	90 Å²	90	50.4 Å²	50.4	63%	0.629	32%	0.321	S	S	*	.			trans	-102.1	159.6	173.9	58.9	0	0	0	0	112.4	K828	K828-S964 WeakPolarHBondContact CE-O 3.29Å; K828-S964 PolarHBondContact NZ-O 3.19Å; K828-S964 VanDerWaalsContact NZ-O 3.11Å
965	G	66	Low	77.4	Confident	18 Å²	18	50 Å²	50	19%	0.186	32%	0.32	C	S	.	.			trans	103.7	45.8	169.4	0	0	0	0	0	114.4	T968 E982	G965-T968 PolarHBondContact O-OG1 3.44Å; G965-E982 WeakPolarHBondContact CA-OE1 3.35Å; G965-E982 PolarHBondContact N-OE1 3Å
966	H	70.5	Confident	77.3	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-73.3	-37.7	179.3	-61.2	-74.4	0	0	0	113.3	W798 T968 S969 Y970 E982 R983 G986 Y987	W798-H966 AromaticContact CE3-CE1 3.93Å; W798-H966 AromaticContact CZ3-CE1 3.4Å; W798-H966 VanDerWaalsContact CZ3-CE1 3.4Å; W798-H966 WeakPolarHBondContact CZ3-CE1 3.19Å; W798-H966 AromaticContact CZ3-ND1 3.6Å; H966-T968 VanDerWaalsContact C-N 3.27Å; H966-T968 PolarHBondContact O-N 2.83Å; H966-S969 PolarHBondContact O-N 2.86Å; H966-S969 VanDerWaalsContact O-N 3.16Å; H966-Y970 HydrophobicContact CB-CD2 4.45Å; H966-Y970 WeakPolarHBondContact O-CD2 3.16Å; H966-Y970 PolarHBondContact O-N 2.76Å; H966-E982 IonicContact CD2-OE1 3.23Å; H966-E982 PolarHBondContact CD2-OE1 3.06Å; H966-E982 IonicContact CG-OE1 2.83Å; H966-E982 PolarHBondContact N-OE1 2.8Å; H966-E982 PolarHBondContact N-OE2 3.35Å; H966-R983 PolarHBondContact CD2-O 3.41Å; H966-R983 VanDerWaalsContact CD2-O 3.25Å; H966-G986 WeakPolarHBondContact CB-O 3.43Å; H966-G986 VanDerWaalsContact CD2-CA 3.5Å; H966-G986 WeakPolarHBondContact CD2-CA 3.31Å; H966-G986 PolarHBondContact CD2-N 2.83Å; H966-G986 VanDerWaalsContact CD2-N 3.28Å; H966-G986 PolarHBondContact CD2-O 2.78Å; H966-G986 PolarHBondContact NE2-N 3.01Å; H966-G986 VanDerWaalsContact NE2-N 3.1Å; H966-Y987 HydrophobicContact CB-CD1 4.48Å
967	C	78.6	Confident	77.4	Confident	29 Å²	29	49.9 Å²	49.9	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-67.4	-24.6	-176	-84.5	0	0	0	0	114	S969 G971 C980 L981 E982	C967-S969 VanDerWaalsContact C-N 3.29Å; C967-G971 VanDerWaalsContact O-CA 3.23Å; C967-G971 WeakPolarHBondContact O-CA 3.44Å; C967-G971 PolarHBondContact O-N 3.04Å; C967-C980 WeakPolarHBondContact CA-SG 3.49Å; C967-C980 HydrophobicContact CB-CB 3.92Å; C967-C980 WeakPolarHBondContact CB-SG 3.49Å; C967-C980 WeakPolarHBondContact SG-CB 3.28Å; C967-C980 CovalentContact SG-SG 2.05Å; C967-C980 PolarHBondContact SG-SG 3.17Å; C967-L981 PolarHBondContact SG-N 2.86Å; C967-E982 WeakPolarHBondContact CB-OE2 3.49Å; C967-E982 PolarHBondContact N-OE2 3.34Å; C967-E982 PolarHBondContact SG-N 3.41Å
968	T	71.1	Confident	78	Confident	81 Å²	81	45 Å²	45	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-66.3	-36.5	174.8	55	0	0	0	0	111	Q881 G965 H966	Q881-T968 PolarHBondContact NE2-OG1 3.35Å; Q881-T968 PolarHBondContact OE1-O 3.18Å; Q881-T968 VanDerWaalsContact OE1-O 3.05Å; Q881-T968 PolarHBondContact OE1-OG1 2.78Å; G965-T968 PolarHBondContact O-OG1 3.44Å; H966-T968 VanDerWaalsContact C-N 3.27Å; H966-T968 PolarHBondContact O-N 2.83Å
969	S	69.1	Low	78.8	Confident	25 Å²	25	48.7 Å²	48.7	18%	0.175	30%	0.299	C	S	.	.	H	α-helix	trans	-90.3	-36.7	-174.3	-52.3	0	0	0	0	113	Q881 W882 H966 C967	Q881-S969 WeakPolarHBondContact CA-OG 3.4Å; Q881-S969 PolarHBondContact OE1-OG 3.3Å; W882-S969 PolarHBondContact N-OG 2.75Å; W882-S969 VanDerWaalsContact N-OG 3.11Å; H966-S969 PolarHBondContact O-N 2.86Å; H966-S969 VanDerWaalsContact O-N 3.16Å; C967-S969 VanDerWaalsContact C-N 3.29Å
970	Y	74.9	Confident	79.4	Confident	24 Å²	24	48.7 Å²	48.7	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-111.4	-2.6	-173.2	-56.4	-68.3	0	0	0	113.8	H604 W882 R938 H966 T972 N973 Y987	H604-Y970 HydrophobicContact CB-CE1 4.31Å; W882-Y970 AromaticContact CD1-CE2 3.81Å; R938-Y970 PolarHBondContact NH2-OH 3.02Å; H966-Y970 HydrophobicContact CB-CD2 4.45Å; H966-Y970 WeakPolarHBondContact O-CD2 3.16Å; H966-Y970 PolarHBondContact O-N 2.76Å; Y970-T972 PolarHBondContact O-N 2.93Å; Y970-T972 VanDerWaalsContact O-N 3.13Å; Y970-N973 VanDerWaalsContact O-CB 3.31Å; Y970-N973 WeakPolarHBondContact O-CB 3.25Å; Y970-N973 PolarHBondContact O-N 2.79Å; Y970-Y987 VanDerWaalsContact CB-CZ 3.44Å; Y970-Y987 HydrophobicContact CD1-CE1 4.48Å; Y970-Y987 HydrophobicContact CD2-CD1 4.07Å; Y970-Y987 AromaticContact CD2-CE1 3.94Å; Y970-Y987 HydrophobicContact CD2-CE1 3.94Å; Y970-Y987 HydrophobicContact CG-CD1 4.17Å; Y970-Y987 AromaticContact CG-CE1 3.65Å; Y970-Y987 HydrophobicContact CG-CE1 3.65Å
971	G	76.5	Confident	79.9	Confident	20 Å²	20	47.1 Å²	47.1	21%	0.206	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60.8	-25.1	-177.1	0	0	0	0	0	113.9	C967 N973 C974	C967-G971 VanDerWaalsContact O-CA 3.23Å; C967-G971 WeakPolarHBondContact O-CA 3.44Å; C967-G971 PolarHBondContact O-N 3.04Å; G971-N973 PolarHBondContact O-N 3.2Å; G971-C974 WeakPolarHBondContact O-CB 3.18Å; G971-C974 PolarHBondContact O-N 3.01Å
972	T	80.9	Confident	79.7	Confident	123 Å²	123	50.2 Å²	50.2	76%	0.755	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.3	175	53.4	0	0	0	0	113.7	Y970 C974	Y970-T972 PolarHBondContact O-N 2.93Å; Y970-T972 VanDerWaalsContact O-N 3.13Å; T972-C974 PolarHBondContact O-N 2.73Å
973	N	82.3	Confident	79.1	Confident	38 Å²	38	54.7 Å²	54.7	20%	0.203	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74	-15.8	175.6	-63.5	-15.9	0	0	0	112.3	Y970 G971 E975 Y987 F1000	Y970-N973 VanDerWaalsContact O-CB 3.31Å; Y970-N973 WeakPolarHBondContact O-CB 3.25Å; Y970-N973 PolarHBondContact O-N 2.79Å; G971-N973 PolarHBondContact O-N 3.2Å; N973-E975 PolarHBondContact O-N 2.54Å; N973-E975 VanDerWaalsContact O-N 3.12Å; N973-Y987 PolarHBondContact ND2-OH 3.47Å; N973-Y987 VanDerWaalsContact ND2-OH 3.16Å; N973-F1000 HydrophobicContact CB-CD1 3.91Å; N973-F1000 HydrophobicContact CB-CE1 4.09Å; N973-F1000 WeakPolarHBondContact O-CB 3.24Å; N973-F1000 WeakPolarHBondContact O-CD1 3.24Å
974	C	85.3	Confident	78.4	Confident	14 Å²	14	61.1 Å²	61.1	10%	0.095	35%	0.345	C	S	.	.	S	Bend	trans	-77	95.5	173	-58.2	0	0	0	0	109.5	G971 T972 G978 C989	G971-C974 WeakPolarHBondContact O-CB 3.18Å; G971-C974 PolarHBondContact O-N 3.01Å; T972-C974 PolarHBondContact O-N 2.73Å; C974-G978 WeakPolarHBondContact CB-O 3.32Å; C974-C989 WeakPolarHBondContact CA-SG 3.47Å; C974-C989 HydrophobicContact CB-CB 3.82Å; C974-C989 WeakPolarHBondContact CB-SG 3.02Å; C974-C989 WeakPolarHBondContact SG-CB 3.24Å; C974-C989 CovalentContact SG-SG 2.04Å; C974-C989 PolarHBondContact SG-SG 3.08Å
975	E	84.9	Confident	78	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.463	33%	0.329	S	S	.	.			trans	-77.9	173	-175.9	-61.2	-171.9	177.4	0	0	112.8	N973 G977 G978 F1000 C1001 N1002	N973-E975 PolarHBondContact O-N 2.54Å; N973-E975 VanDerWaalsContact O-N 3.12Å; E975-G977 PolarHBondContact O-N 2.73Å; E975-G978 PolarHBondContact O-N 3.23Å; E975-F1000 WeakPolarHBondContact CB-O 3.34Å; E975-F1000 PolarHBondContact N-O 3.11Å; E975-C1001 WeakPolarHBondContact O-CB 3.46Å; E975-N1002 WeakPolarHBondContact OE2-CB 3.31Å
976	N	85.9	Confident	78.3	Confident	65 Å²	65	59 Å²	59	35%	0.348	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	30.1	170.9	-56.1	-58	0	0	0	115.5	T994 Y996 C1001	N976-T994 WeakPolarHBondContact O-CG2 3.34Å; N976-Y996 HydrophobicContact CB-CD1 4.32Å; N976-Y996 HydrophobicContact CB-CD2 3.51Å; N976-Y996 HydrophobicContact CB-CE1 4.35Å; N976-Y996 HydrophobicContact CB-CE2 3.6Å; N976-Y996 HydrophobicContact CB-CG 3.9Å; N976-C1001 WeakPolarHBondContact CB-O 3.26Å; N976-C1001 PolarHBondContact ND2-O 3.06Å
977	G	84.3	Confident	78.7	Confident	69 Å²	69	59.1 Å²	59.1	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	14.2	179.9	0	0	0	0	0	115	E975	E975-G977 PolarHBondContact O-N 2.73Å
978	G	88.3	Confident	78.9	Confident	14 Å²	14	58 Å²	58	14%	0.144	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.5	143.2	173	0	0	0	0	0	112.8	C974 E975	C974-G978 WeakPolarHBondContact CB-O 3.32Å; E975-G978 PolarHBondContact O-N 3.23Å
979	K	88.9	Confident	79.6	Confident	137 Å²	137	55.2 Å²	55.2	60%	0.596	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.3	-179	-178.9	-176.4	178	-174.8	0	111.2	D990	K979-D990 HydrophobicContact CB-CB 4.32Å; K979-D990 PolarHBondContact N-O 2.72Å; K979-D990 PolarHBondContact O-N 3Å
980	C	86.5	Confident	80.5	Confident	30 Å²	30	56.2 Å²	56.2	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	135	174.7	-170.4	0	0	0	0	112.1	C967	C967-C980 WeakPolarHBondContact CA-SG 3.49Å; C967-C980 HydrophobicContact CB-CB 3.92Å; C967-C980 WeakPolarHBondContact CB-SG 3.49Å; C967-C980 WeakPolarHBondContact SG-CB 3.28Å; C967-C980 CovalentContact SG-SG 2.05Å; C967-C980 PolarHBondContact SG-SG 3.17Å
981	L	84.7	Confident	81.1	Confident	69 Å²	69	55.7 Å²	55.7	36%	0.361	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.9	174	-54.3	179.7	0	0	0	110.1	C967 Y987 S988 D990	C967-L981 PolarHBondContact SG-N 2.86Å; L981-Y987 CarbonylContact O-C 3.59Å; L981-Y987 VanDerWaalsContact O-CA 3.24Å; L981-Y987 WeakPolarHBondContact O-CA 3.39Å; L981-Y987 WeakPolarHBondContact O-CB 3.37Å; L981-S988 PolarHBondContact N-O 2.98Å; L981-S988 PolarHBondContact O-N 3.19Å; L981-D990 HydrophobicContact CD1-CB 4.09Å; L981-D990 HydrophobicContact CG-CB 4.27Å
982	E	80	Confident	81.5	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.7	-179.3	-172.9	68.2	-156	0	0	111.8	G965 H966 C967	G965-E982 WeakPolarHBondContact CA-OE1 3.35Å; G965-E982 PolarHBondContact N-OE1 3Å; H966-E982 IonicContact CD2-OE1 3.23Å; H966-E982 PolarHBondContact CD2-OE1 3.06Å; H966-E982 IonicContact CG-OE1 2.83Å; H966-E982 PolarHBondContact N-OE1 2.8Å; H966-E982 PolarHBondContact N-OE2 3.35Å; C967-E982 WeakPolarHBondContact CB-OE2 3.49Å; C967-E982 PolarHBondContact N-OE2 3.34Å; C967-E982 PolarHBondContact SG-N 3.41Å
983	R	70.5	Confident	81.7	Confident	99 Å²	99	58.2 Å²	58.2	37%	0.374	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	166.1	173.4	-56.8	-173.6	178.7	-136.6	-13.9	110.8	D634 H966 H985 G986 S988	D634-R983 VanDerWaalsContact CB-NH1 3.26Å; D634-R983 IonicContact OD1-CZ 2.7Å; D634-R983 VanDerWaalsContact OD1-CZ 3.24Å; D634-R983 IonicContact OD1-NE 2.89Å; D634-R983 IonicContact OD1-NH1 3.29Å; D634-R983 IonicContact OD1-NH2 2.8Å; D634-R983 PolarHBondContact OD1-NH2 3.44Å; D634-R983 IonicContact OD2-CZ 3.59Å; D634-R983 IonicContact OD2-NH1 3.2Å; D634-R983 PolarHBondContact OD2-NH1 3.16Å; D634-R983 IonicContact OD2-NH2 3.66Å; D634-R983 PolarHBondContact OD2-NH2 2.77Å; H966-R983 PolarHBondContact CD2-O 3.41Å; H966-R983 VanDerWaalsContact CD2-O 3.25Å; R983-H985 VanDerWaalsContact C-N 3.34Å; R983-H985 PolarHBondContact O-N 2.81Å; R983-G986 CarbonylContact C-O 3.56Å; R983-G986 WeakPolarHBondContact CA-O 3.44Å; R983-G986 WeakPolarHBondContact CB-O 3.41Å; R983-G986 PolarHBondContact N-O 2.81Å; R983-S988 PolarHBondContact NE-OG 3.49Å; R983-S988 VanDerWaalsContact NE-OG 3.08Å; R983-S988 PolarHBondContact NH2-OG 2.83Å
984	Y	66.4	Low	82	Confident	149 Å²	149	56.7 Å²	56.7	58%	0.584	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.5	-179.7	179.9	-108.8	0	0	0	113.7
985	H	63	Low	82.2	Confident	63 Å²	63	56.1 Å²	56.1	29%	0.292	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	50.2	174.2	-67	-70.2	0	0	0	110.9	W798 R983	W798-H985 HydrophobicContact CD2-CB 4.43Å; W798-H985 HydrophobicContact CG-CB 4.27Å; W798-H985 VanDerWaalsContact CZ2-O 3.31Å; W798-H985 WeakPolarHBondContact CZ2-O 3.14Å; R983-H985 VanDerWaalsContact C-N 3.34Å; R983-H985 PolarHBondContact O-N 2.81Å
986	G	72.5	Confident	82.4	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	138	-148.5	174.4	0	0	0	0	0	115.4	W798 H966 R983	W798-G986 VanDerWaalsContact CH2-CA 3.47Å; H966-G986 WeakPolarHBondContact CB-O 3.43Å; H966-G986 VanDerWaalsContact CD2-CA 3.5Å; H966-G986 WeakPolarHBondContact CD2-CA 3.31Å; H966-G986 PolarHBondContact CD2-N 2.83Å; H966-G986 VanDerWaalsContact CD2-N 3.28Å; H966-G986 PolarHBondContact CD2-O 2.78Å; H966-G986 PolarHBondContact NE2-N 3.01Å; H966-G986 VanDerWaalsContact NE2-N 3.1Å; R983-G986 CarbonylContact C-O 3.56Å; R983-G986 WeakPolarHBondContact CA-O 3.44Å; R983-G986 WeakPolarHBondContact CB-O 3.41Å; R983-G986 PolarHBondContact N-O 2.81Å
987	Y	78.8	Confident	82.4	Confident	6 Å²	6	51 Å²	51	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	169.4	-179.7	74.5	-77	0	0	0	112	H604 H966 Y970 N973 L981 F1000	H604-Y987 AromaticContact CE1-CE1 3.68Å; H604-Y987 AromaticContact ND1-CE1 3.38Å; H604-Y987 WeakPolarHBondContact ND1-CE1 3.45Å; H966-Y987 HydrophobicContact CB-CD1 4.48Å; Y970-Y987 VanDerWaalsContact CB-CZ 3.44Å; Y970-Y987 HydrophobicContact CD1-CE1 4.48Å; Y970-Y987 HydrophobicContact CD2-CD1 4.07Å; Y970-Y987 AromaticContact CD2-CE1 3.94Å; Y970-Y987 HydrophobicContact CD2-CE1 3.94Å; Y970-Y987 HydrophobicContact CG-CD1 4.17Å; Y970-Y987 AromaticContact CG-CE1 3.65Å; Y970-Y987 HydrophobicContact CG-CE1 3.65Å; N973-Y987 PolarHBondContact ND2-OH 3.47Å; N973-Y987 VanDerWaalsContact ND2-OH 3.16Å; L981-Y987 CarbonylContact O-C 3.59Å; L981-Y987 VanDerWaalsContact O-CA 3.24Å; L981-Y987 WeakPolarHBondContact O-CA 3.39Å; L981-Y987 WeakPolarHBondContact O-CB 3.37Å; Y987-F1000 HydrophobicContact CE2-CE1 4.44Å; Y987-F1000 WeakPolarHBondContact OH-CE1 3.29Å
988	S	81.4	Confident	82.2	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.1	172.3	54.3	0	0	0	0	111	D634 L981 R983	D634-S988 WeakPolarHBondContact OD1-CB 3.29Å; L981-S988 PolarHBondContact N-O 2.98Å; L981-S988 PolarHBondContact O-N 3.19Å; R983-S988 PolarHBondContact NE-OG 3.49Å; R983-S988 VanDerWaalsContact NE-OG 3.08Å; R983-S988 PolarHBondContact NH2-OG 2.83Å
989	C	86.2	Confident	81.6	Confident	21 Å²	21	49.4 Å²	49.4	14%	0.142	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.1	174.6	-56.5	0	0	0	0	111.2	C974 T999	C974-C989 WeakPolarHBondContact CA-SG 3.47Å; C974-C989 HydrophobicContact CB-CB 3.82Å; C974-C989 WeakPolarHBondContact CB-SG 3.02Å; C974-C989 WeakPolarHBondContact SG-CB 3.24Å; C974-C989 CovalentContact SG-SG 2.04Å; C974-C989 PolarHBondContact SG-SG 3.08Å; C989-T999 WeakPolarHBondContact CB-O 3.31Å; C989-T999 PolarHBondContact SG-O 2.84Å
990	D	87.9	Confident	81.3	Confident	47 Å²	47	43.1 Å²	43.1	25%	0.251	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.8	170.3	176.1	16.7	0	0	0	110.2	K979 L981 S992	K979-D990 HydrophobicContact CB-CB 4.32Å; K979-D990 PolarHBondContact N-O 2.72Å; K979-D990 PolarHBondContact O-N 3Å; L981-D990 HydrophobicContact CD1-CB 4.09Å; L981-D990 HydrophobicContact CG-CB 4.27Å; D990-S992 WeakPolarHBondContact OD1-CB 3.5Å; D990-S992 PolarHBondContact OD1-N 2.58Å; D990-S992 PolarHBondContact OD1-OG 3.01Å
991	C	88	Confident	81.4	Confident	13 Å²	13	41.7 Å²	41.7	9%	0.088	22%	0.216	C	C	.	.			trans	-98.6	7.2	178.5	-44.2	0	0	0	0	112.9	N993 T994 Y996 G998 C1001 K1191	C991-N993 PolarHBondContact O-N 3.34Å; C991-N993 VanDerWaalsContact O-N 3.13Å; C991-T994 PolarHBondContact O-N 3.49Å; C991-T994 VanDerWaalsContact O-N 3.08Å; C991-T994 PolarHBondContact O-OG1 3.36Å; C991-Y996 WeakPolarHBondContact CB-O 3.49Å; C991-G998 PolarHBondContact SG-O 3.22Å; C991-C1001 WeakPolarHBondContact CA-SG 3.34Å; C991-C1001 HydrophobicContact CB-CB 3.88Å; C991-C1001 WeakPolarHBondContact CB-SG 3.5Å; C991-C1001 WeakPolarHBondContact SG-CA 3.4Å; C991-C1001 WeakPolarHBondContact SG-CB 3.39Å; C991-C1001 CovalentContact SG-SG 2.04Å; C991-C1001 PolarHBondContact SG-SG 2.86Å; C991-K1191 PolarHBondContact O-NZ 3.29Å
992	S	84.2	Confident	81.3	Confident	84 Å²	84	40.9 Å²	40.9	59%	0.587	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.9	-169.7	-57	0	0	0	0	113.7	D990	D990-S992 WeakPolarHBondContact OD1-CB 3.5Å; D990-S992 PolarHBondContact OD1-N 2.58Å; D990-S992 PolarHBondContact OD1-OG 3.01Å
993	N	85	Confident	81.4	Confident	112 Å²	112	42.2 Å²	42.2	60%	0.599	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	17.7	-178.8	-61.8	-36.8	0	0	0	113.7	C991	C991-N993 PolarHBondContact O-N 3.34Å; C991-N993 VanDerWaalsContact O-N 3.13Å
994	T	89.6	Confident	82.2	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-122.8	160.5	178.7	79.2	0	0	0	0	110.7	N976 C991 Y996 K1191	N976-T994 WeakPolarHBondContact O-CG2 3.34Å; C991-T994 PolarHBondContact O-N 3.49Å; C991-T994 VanDerWaalsContact O-N 3.08Å; C991-T994 PolarHBondContact O-OG1 3.36Å; T994-Y996 PolarHBondContact O-N 2.81Å; T994-Y996 PolarHBondContact OG1-N 3.1Å; T994-Y996 PolarHBondContact OG1-O 3.16Å; T994-K1191 WeakPolarHBondContact O-CD 3.26Å
995	A	90	Very high	83.3	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	18%	0.177	C	C	.	.	S	Bend	trans	-80	17.3	172.7	0	0	0	0	0	114.2	V1005 Q1183 A1188	A995-V1005 WeakPolarHBondContact O-CB 3.44Å; A995-V1005 PolarHBondContact O-N 2.69Å; A995-Q1183 HydrophobicContact CB-CB 3.96Å; A995-A1188 HydrophobicContact CB-CB 3.89Å
996	Y	89.4	Confident	84.6	Confident	28 Å²	28	28.6 Å²	28.6	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.3	-175.3	-57.7	-99.4	0	0	0	110.1	N976 C991 T994 C1001 K1003 D1004 R1181 K1191	N976-Y996 HydrophobicContact CB-CD1 4.32Å; N976-Y996 HydrophobicContact CB-CD2 3.51Å; N976-Y996 HydrophobicContact CB-CE1 4.35Å; N976-Y996 HydrophobicContact CB-CE2 3.6Å; N976-Y996 HydrophobicContact CB-CG 3.9Å; C991-Y996 WeakPolarHBondContact CB-O 3.49Å; T994-Y996 PolarHBondContact O-N 2.81Å; T994-Y996 PolarHBondContact OG1-N 3.1Å; T994-Y996 PolarHBondContact OG1-O 3.16Å; Y996-C1001 WeakPolarHBondContact CB-O 3.43Å; Y996-K1003 CarbonylContact C-O 3.54Å; Y996-K1003 WeakPolarHBondContact CA-O 3.13Å; Y996-D1004 WeakPolarHBondContact CD1-OD1 3.24Å; Y996-D1004 WeakPolarHBondContact CE1-OD1 3.1Å; Y996-R1181 HydrophobicContact CE1-CG 3.83Å; Y996-R1181 WeakPolarHBondContact OH-CD 3.3Å; Y996-K1191 PolarHBondContact O-NZ 3.09Å
997	D	85.8	Confident	85.5	Confident	29 Å²	29	28.5 Å²	28.5	16%	0.155	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-170.7	170.6	-84.2	-19	0	0	0	109.5	C1001 N1002 K1003 V1005 K1191 R1195	D997-C1001 CarbonylContact O-C 3.57Å; D997-C1001 VanDerWaalsContact O-CA 3.31Å; D997-C1001 WeakPolarHBondContact O-CA 3.36Å; D997-N1002 PolarHBondContact O-N 3.06Å; D997-K1003 HydrophobicContact CB-CB 4.45Å; D997-K1003 PolarHBondContact N-O 2.99Å; D997-K1003 VanDerWaalsContact O-CB 3.31Å; D997-K1003 WeakPolarHBondContact O-CB 3.31Å; D997-K1003 PolarHBondContact O-N 3.18Å; D997-V1005 HydrophobicContact CB-CG2 3.96Å; D997-V1005 WeakPolarHBondContact OD2-CG2 3.29Å; D997-K1191 WeakPolarHBondContact OD1-CE 3.44Å; D997-K1191 IonicContact OD1-NZ 2.67Å; D997-K1191 PolarHBondContact OD1-NZ 2.9Å; D997-R1195 IonicContact OD2-CZ 3.56Å; D997-R1195 IonicContact OD2-NE 3.24Å; D997-R1195 PolarHBondContact OD2-NE 2.87Å; D997-R1195 IonicContact OD2-NH2 3.65Å; D997-R1195 PolarHBondContact OD2-NH2 3.38Å
998	G	78.8	Confident	86.2	Confident	32 Å²	32	31.7 Å²	31.7	33%	0.33	18%	0.177	S	C	.	.	S	Bend	trans	90.2	164.1	178.7	0	0	0	0	0	111.9	C991 F1000 C1001	C991-G998 PolarHBondContact SG-O 3.22Å; G998-F1000 PolarHBondContact O-N 2.99Å; G998-F1000 VanDerWaalsContact O-N 3.15Å; G998-C1001 PolarHBondContact O-N 2.67Å
999	T	77.1	Confident	86.7	Confident	18 Å²	18	31.5 Å²	31.5	11%	0.11	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.5	-171.4	-53.3	0	0	0	0	113.6	K603 M631 E633 C989	K603-T999 HydrophobicContact CD-CG2 4.45Å; M631-T999 PolarHBondContact O-OG1 2.88Å; E633-T999 PolarHBondContact N-OG1 3.16Å; E633-T999 WeakPolarHBondContact O-CG2 3.29Å; C989-T999 WeakPolarHBondContact CB-O 3.31Å; C989-T999 PolarHBondContact SG-O 2.84Å
1000	F	82.6	Confident	86.9	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.018	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	13.5	178.4	-61	-59.8	0	0	0	112.7	K603 Q607 N973 E975 Y987 G998 N1002	K603-F1000 HydrophobicContact CG-CE2 4.31Å; K603-F1000 HydrophobicContact CG-CZ 3.62Å; K603-F1000 WeakPolarHBondContact O-CZ 3.4Å; Q607-F1000 WeakPolarHBondContact O-CE2 3.42Å; N973-F1000 HydrophobicContact CB-CD1 3.91Å; N973-F1000 HydrophobicContact CB-CE1 4.09Å; N973-F1000 WeakPolarHBondContact O-CB 3.24Å; N973-F1000 WeakPolarHBondContact O-CD1 3.24Å; E975-F1000 WeakPolarHBondContact CB-O 3.34Å; E975-F1000 PolarHBondContact N-O 3.11Å; Y987-F1000 HydrophobicContact CE2-CE1 4.44Å; Y987-F1000 WeakPolarHBondContact OH-CE1 3.29Å; G998-F1000 PolarHBondContact O-N 2.99Å; G998-F1000 VanDerWaalsContact O-N 3.15Å; F1000-N1002 VanDerWaalsContact C-N 3.27Å; F1000-N1002 PolarHBondContact O-N 3.32Å
1001	C	87.8	Confident	86.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	56.5	37.7	-176.2	-47.2	0	0	0	0	113.7	E975 N976 C991 Y996 D997 G998	E975-C1001 WeakPolarHBondContact O-CB 3.46Å; N976-C1001 WeakPolarHBondContact CB-O 3.26Å; N976-C1001 PolarHBondContact ND2-O 3.06Å; C991-C1001 WeakPolarHBondContact CA-SG 3.34Å; C991-C1001 HydrophobicContact CB-CB 3.88Å; C991-C1001 WeakPolarHBondContact CB-SG 3.5Å; C991-C1001 WeakPolarHBondContact SG-CA 3.4Å; C991-C1001 WeakPolarHBondContact SG-CB 3.39Å; C991-C1001 CovalentContact SG-SG 2.04Å; C991-C1001 PolarHBondContact SG-SG 2.86Å; Y996-C1001 WeakPolarHBondContact CB-O 3.43Å; D997-C1001 CarbonylContact O-C 3.57Å; D997-C1001 VanDerWaalsContact O-CA 3.31Å; D997-C1001 WeakPolarHBondContact O-CA 3.36Å; G998-C1001 PolarHBondContact O-N 2.67Å
1002	N	82	Confident	86.8	Confident	52 Å²	52	39.7 Å²	39.7	28%	0.278	22%	0.218	S	C	.	.			trans	-112.7	0.2	-177.2	66.1	-11.9	0	0	0	114.1	E975 D997 F1000	E975-N1002 WeakPolarHBondContact OE2-CB 3.31Å; D997-N1002 PolarHBondContact O-N 3.06Å; F1000-N1002 VanDerWaalsContact C-N 3.27Å; F1000-N1002 PolarHBondContact O-N 3.32Å
1003	K	83.2	Confident	87.1	Confident	114 Å²	114	36.5 Å²	36.5	50%	0.496	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.4	177.6	-175.5	-174.9	174.9	-170.6	0	110.2	Y996 D997 V1005	Y996-K1003 CarbonylContact C-O 3.54Å; Y996-K1003 WeakPolarHBondContact CA-O 3.13Å; D997-K1003 HydrophobicContact CB-CB 4.45Å; D997-K1003 PolarHBondContact N-O 2.99Å; D997-K1003 VanDerWaalsContact O-CB 3.31Å; D997-K1003 WeakPolarHBondContact O-CB 3.31Å; D997-K1003 PolarHBondContact O-N 3.18Å; K1003-V1005 PolarHBondContact O-N 3.11Å
1004	D	86.4	Confident	87.4	Confident	23 Å²	23	33 Å²	33	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	129.5	177.3	-67.6	2.1	0	0	0	112	Y996 R1181 A1216	Y996-D1004 WeakPolarHBondContact CD1-OD1 3.24Å; Y996-D1004 WeakPolarHBondContact CE1-OD1 3.1Å; D1004-R1181 HydrophobicContact CB-CG 3.8Å; D1004-R1181 WeakPolarHBondContact OD1-CD 3.29Å; D1004-R1181 IonicContact OD1-NH1 2.66Å; D1004-R1181 WeakPolarHBondContact OD2-CD 3.38Å; D1004-R1181 WeakPolarHBondContact OD2-CG 3.14Å; D1004-R1181 IonicContact OD2-CZ 3.59Å; D1004-R1181 IonicContact OD2-NE 3.2Å; D1004-R1181 PolarHBondContact OD2-NE 3.31Å; D1004-R1181 IonicContact OD2-NH1 2.77Å; D1004-R1181 PolarHBondContact OD2-NH1 2.75Å; D1004-A1216 HydrophobicContact CB-CB 4.08Å; D1004-A1216 WeakPolarHBondContact OD2-CB 3.45Å
1005	V	89.2	Confident	87.7	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	17%	0.171	C	C	.	.			trans	-90.2	123.4	167.5	-177.6	0	0	0	0	108.7	A995 D997 K1003 S1180 R1181 K1191 L1194	A995-V1005 WeakPolarHBondContact O-CB 3.44Å; A995-V1005 PolarHBondContact O-N 2.69Å; D997-V1005 HydrophobicContact CB-CG2 3.96Å; D997-V1005 WeakPolarHBondContact OD2-CG2 3.29Å; K1003-V1005 PolarHBondContact O-N 3.11Å; V1005-S1180 CarbonylContact O-C 3.57Å; V1005-S1180 WeakPolarHBondContact O-CA 3.47Å; V1005-R1181 PolarHBondContact O-N 3.43Å; V1005-K1191 HydrophobicContact CB-CB 4.47Å; V1005-K1191 HydrophobicContact CG1-CB 4.08Å; V1005-K1191 HydrophobicContact CG1-CG 4.43Å; V1005-K1191 HydrophobicContact CG2-CD 4.34Å; V1005-K1191 HydrophobicContact CG2-CG 4.34Å; V1005-L1194 HydrophobicContact CG1-CD1 3.79Å
1006	G	90.9	Very high	87.9	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.1	-179.3	0	0	0	0	0	112.8	L1179 E1211 S1212	G1006-L1179 CarbonylContact C-O 3.59Å; G1006-L1179 WeakPolarHBondContact CA-O 3.28Å; G1006-E1211 WeakPolarHBondContact O-CA 3.44Å; G1006-E1211 WeakPolarHBondContact O-CG 3.49Å; G1006-S1212 CarbonylContact C-O 3.58Å; G1006-S1212 VanDerWaalsContact CA-O 3.31Å; G1006-S1212 WeakPolarHBondContact CA-O 3.33Å; G1006-S1212 PolarHBondContact O-N 2.8Å
1007	A	92	Very high	88.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.8	176.7	0	0	0	0	0	111.3	F1009 C1178 L1179 L1190 L1194 L1209 V1210 S1212	A1007-F1009 HydrophobicContact CB-CE2 4.04Å; A1007-C1178 WeakPolarHBondContact O-CA 3.42Å; A1007-L1179 PolarHBondContact N-O 3.12Å; A1007-L1179 PolarHBondContact O-N 3.11Å; A1007-L1190 HydrophobicContact CB-CD2 3.9Å; A1007-L1194 HydrophobicContact CB-CD1 4.34Å; A1007-L1209 HydrophobicContact CB-CD1 3.49Å; A1007-L1209 VanDerWaalsContact CB-CD1 3.49Å; A1007-L1209 HydrophobicContact CB-CD2 4.27Å; A1007-L1209 HydrophobicContact CB-CG 3.8Å; A1007-V1210 CarbonylContact C-O 3.55Å; A1007-V1210 VanDerWaalsContact CA-O 3.27Å; A1007-V1210 WeakPolarHBondContact CA-O 3.22Å; A1007-S1212 PolarHBondContact N-O 2.97Å
1008	F	92.4	Very high	88.4	Confident	73 Å²	73	34.5 Å²	34.5	32%	0.32	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.9	168.5	-176.4	-105	0	0	0	109.8	E1010 V1210	F1008-E1010 HydrophobicContact CD1-CG 4.08Å; F1008-E1010 HydrophobicContact CE1-CG 3.57Å; F1008-V1210 PolarHBondContact N-O 3.12Å
1009	F	92.3	Very high	88.8	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	177.1	-73.2	-104.9	0	0	0	108.9	A1007 M1013 L1015 L1154 F1175 T1176 G1177 L1179 L1190 L1209	A1007-F1009 HydrophobicContact CB-CE2 4.04Å; F1009-M1013 HydrophobicContact CD1-CB 4.18Å; F1009-L1015 HydrophobicContact CE1-CB 4.34Å; F1009-L1015 HydrophobicContact CZ-CB 4.47Å; F1009-L1154 HydrophobicContact CE1-CB 4.06Å; F1009-L1154 HydrophobicContact CZ-CB 3.88Å; F1009-L1154 HydrophobicContact CZ-CD1 4.45Å; F1009-F1175 HydrophobicContact CB-CD1 3.71Å; F1009-F1175 HydrophobicContact CB-CE1 3.91Å; F1009-F1175 HydrophobicContact CD2-CD1 4.29Å; F1009-F1175 HydrophobicContact CD2-CE1 4.03Å; F1009-F1175 AromaticContact CG-CD1 3.99Å; F1009-F1175 HydrophobicContact CG-CD1 3.99Å; F1009-F1175 HydrophobicContact CG-CE1 4.15Å; F1009-T1176 VanDerWaalsContact O-CA 3.27Å; F1009-T1176 WeakPolarHBondContact O-CA 3.19Å; F1009-G1177 PolarHBondContact N-O 3.13Å; F1009-G1177 PolarHBondContact O-N 2.75Å; F1009-L1179 HydrophobicContact CD2-CB 4.4Å; F1009-L1179 HydrophobicContact CD2-CD1 4.11Å; F1009-L1179 HydrophobicContact CD2-CG 4.44Å; F1009-L1179 HydrophobicContact CE2-CB 4.01Å; F1009-L1179 HydrophobicContact CE2-CD1 3.78Å; F1009-L1179 HydrophobicContact CE2-CG 4.29Å; F1009-L1179 HydrophobicContact CZ-CD1 4.13Å; F1009-L1190 HydrophobicContact CE2-CD2 3.87Å; F1009-L1190 HydrophobicContact CZ-CD2 3.81Å; F1009-L1209 HydrophobicContact CE1-CD1 4.32Å; F1009-L1209 HydrophobicContact CE2-CD1 4.23Å; F1009-L1209 HydrophobicContact CZ-CD1 4Å
1010	E	89.6	Confident	88.8	Confident	111 Å²	111	38.1 Å²	38.1	52%	0.519	18%	0.183	S	C	.	.			trans	-89.9	169.2	166.5	-64.9	177.1	172.2	0	0	111.3	F1008 G1012 M1013	F1008-E1010 HydrophobicContact CD1-CG 4.08Å; F1008-E1010 HydrophobicContact CE1-CG 3.57Å; E1010-G1012 PolarHBondContact O-N 2.83Å; E1010-M1013 HydrophobicContact CB-CE 3.45Å; E1010-M1013 VanDerWaalsContact CB-CE 3.45Å; E1010-M1013 HydrophobicContact CB-CG 4.2Å; E1010-M1013 HydrophobicContact CB-SD 4.24Å; E1010-M1013 HydrophobicContact CG-CE 3.57Å; E1010-M1013 WeakPolarHBondContact O-CB 3.43Å; E1010-M1013 PolarHBondContact O-N 3.16Å
1011	E	86.9	Confident	87.8	Confident	110 Å²	110	40.9 Å²	40.9	51%	0.514	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	130.6	176.1	-70.8	-173.3	171.9	0	0	111.8	M1013 K1059 P1173 T1176	E1011-M1013 VanDerWaalsContact C-N 3.29Å; E1011-M1013 PolarHBondContact O-N 2.95Å; E1011-K1059 IonicContact OE1-NZ 3.86Å; E1011-K1059 PolarHBondContact OE1-NZ 2.88Å; E1011-P1173 HydrophobicContact CB-CB 4.34Å; E1011-P1173 HydrophobicContact CG-CB 4.15Å; E1011-P1173 HydrophobicContact CG-CG 4.31Å; E1011-T1176 WeakPolarHBondContact CG-OG1 3.38Å
1012	G	87.5	Confident	86.2	Confident	33 Å²	33	44.7 Å²	44.7	34%	0.34	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-11.6	179.2	0	0	0	0	0	115.5	E1010 P1173	E1010-G1012 PolarHBondContact O-N 2.83Å; G1012-P1173 PolarHBondContact N-O 3.36Å
1013	M	91	Very high	84.6	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.079	25%	0.254	C	S	.	.			trans	-67.6	147.7	174.1	-65.1	-163.6	-167.2	0	0	111.6	F1009 E1010 E1011 K1156 Q1206 E1208	F1009-M1013 HydrophobicContact CD1-CB 4.18Å; E1010-M1013 HydrophobicContact CB-CE 3.45Å; E1010-M1013 VanDerWaalsContact CB-CE 3.45Å; E1010-M1013 HydrophobicContact CB-CG 4.2Å; E1010-M1013 HydrophobicContact CB-SD 4.24Å; E1010-M1013 HydrophobicContact CG-CE 3.57Å; E1010-M1013 WeakPolarHBondContact O-CB 3.43Å; E1010-M1013 PolarHBondContact O-N 3.16Å; E1011-M1013 VanDerWaalsContact C-N 3.29Å; E1011-M1013 PolarHBondContact O-N 2.95Å; M1013-K1156 PolarHBondContact O-N 3.34Å; M1013-K1156 VanDerWaalsContact O-N 3.17Å; M1013-Q1206 WeakPolarHBondContact CA-O 3.3Å; M1013-E1208 VanDerWaalsContact CE-O 3.25Å; M1013-E1208 WeakPolarHBondContact CE-O 3.46Å
1014	W	92	Very high	82.7	Confident	39 Å²	39	47.2 Å²	47.2	15%	0.148	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.4	169.1	57.4	-86.7	0	0	0	112.7	R1016 L1154 K1156 I1158 H1204 I1205 Q1206	W1014-R1016 HydrophobicContact CE3-CB 3.85Å; W1014-R1016 HydrophobicContact CZ3-CB 3.54Å; W1014-L1154 VanDerWaalsContact CA-O 3.28Å; W1014-L1154 WeakPolarHBondContact CA-O 3.4Å; W1014-K1156 HydrophobicContact CB-CB 3.95Å; W1014-K1156 WeakPolarHBondContact CB-O 3.38Å; W1014-I1158 HydrophobicContact CD2-CD1 4.24Å; W1014-I1158 HydrophobicContact CD2-CG1 4.29Å; W1014-I1158 HydrophobicContact CG-CD1 4.21Å; W1014-I1158 HydrophobicContact CG-CG1 4.22Å; W1014-I1158 HydrophobicContact CZ2-CD1 4.17Å; W1014-H1204 HydrophobicContact CH2-CB 4.24Å; W1014-H1204 HydrophobicContact CZ3-CB 4.02Å; W1014-H1204 WeakPolarHBondContact CZ3-O 3.49Å; W1014-I1205 WeakPolarHBondContact O-CA 3.41Å; W1014-Q1206 HydrophobicContact CD2-CB 4Å; W1014-Q1206 HydrophobicContact CG-CB 4.18Å; W1014-Q1206 HydrophobicContact CZ2-CB 3.7Å; W1014-Q1206 PolarHBondContact N-O 2.9Å; W1014-Q1206 PolarHBondContact O-N 2.76Å
1015	L	94	Very high	80.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.9	170.1	-180	160.3	0	0	0	108.2	F1009 F1153 L1154 P1189 L1190 A1193 V1203 H1204 I1205 L1209	F1009-L1015 HydrophobicContact CE1-CB 4.34Å; F1009-L1015 HydrophobicContact CZ-CB 4.47Å; L1015-F1153 CarbonylContact O-C 3.51Å; L1015-F1153 VanDerWaalsContact O-CA 3.26Å; L1015-F1153 WeakPolarHBondContact O-CA 3.4Å; L1015-L1154 HydrophobicContact CB-CB 4.34Å; L1015-L1154 HydrophobicContact CD2-CD1 4.21Å; L1015-L1154 HydrophobicContact CD2-CG 4.49Å; L1015-L1154 PolarHBondContact N-O 3.41Å; L1015-L1154 PolarHBondContact O-N 3.16Å; L1015-P1189 HydrophobicContact CD2-CB 3.98Å; L1015-L1190 HydrophobicContact CD1-CD2 4.02Å; L1015-A1193 HydrophobicContact CD1-CB 3.47Å; L1015-A1193 VanDerWaalsContact CD1-CB 3.47Å; L1015-V1203 HydrophobicContact CD1-CG1 4.08Å; L1015-V1203 HydrophobicContact CD2-CG1 3.97Å; L1015-V1203 HydrophobicContact CG-CG1 3.74Å; L1015-H1204 CarbonylContact C-O 3.57Å; L1015-H1204 WeakPolarHBondContact CA-O 3.43Å; L1015-I1205 HydrophobicContact CD1-CG1 4.47Å; L1015-I1205 HydrophobicContact CG-CG1 4.31Å; L1015-L1209 HydrophobicContact CD1-CD2 4.23Å
1016	R	94.3	Very high	78	Confident	54 Å²	54	57.6 Å²	57.6	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.1	172.6	-178.7	-174.9	171.5	-174.6	-10.8	109.7	W1014 N1018 S1151 L1152 F1153 V1203 H1204	W1014-R1016 HydrophobicContact CE3-CB 3.85Å; W1014-R1016 HydrophobicContact CZ3-CB 3.54Å; R1016-N1018 PolarHBondContact NE-OD1 3.35Å; R1016-N1018 PolarHBondContact NH2-OD1 3.2Å; R1016-S1151 PolarHBondContact NE-OG 3.21Å; R1016-S1151 VanDerWaalsContact NE-OG 3.1Å; R1016-S1151 PolarHBondContact NH2-OG 2.86Å; R1016-S1151 VanDerWaalsContact NH2-OG 3.14Å; R1016-L1152 CarbonylContact C-O 3.56Å; R1016-L1152 VanDerWaalsContact CA-O 3.29Å; R1016-L1152 WeakPolarHBondContact CA-O 3.39Å; R1016-F1153 HydrophobicContact CB-CD1 3.89Å; R1016-F1153 HydrophobicContact CB-CE1 3.78Å; R1016-F1153 HydrophobicContact CB-CZ 4.45Å; R1016-F1153 HydrophobicContact CG-CD1 3.99Å; R1016-F1153 HydrophobicContact CG-CE1 3.55Å; R1016-F1153 HydrophobicContact CG-CE2 4.29Å; R1016-F1153 HydrophobicContact CG-CZ 3.72Å; R1016-V1203 CarbonylContact O-C 3.56Å; R1016-V1203 WeakPolarHBondContact O-CA 3.25Å; R1016-H1204 HydrophobicContact CB-CB 4.49Å; R1016-H1204 PolarHBondContact N-O 3.32Å; R1016-H1204 PolarHBondContact O-N 2.76Å
1017	Y	93.4	Very high	75.4	Confident	21 Å²	21	68.1 Å²	68.1	8%	0.082	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.1	168.6	-171.8	-78.3	0	0	0	109.4	F1019 S1151 L1152 I1187 P1189 A1192 H1202 V1203	Y1017-F1019 HydrophobicContact CD1-CD1 4.04Å; Y1017-F1019 HydrophobicContact CD1-CE1 4.25Å; Y1017-F1019 HydrophobicContact CE1-CD1 4.06Å; Y1017-S1151 CarbonylContact O-C 3.43Å; Y1017-S1151 WeakPolarHBondContact O-CA 3.32Å; Y1017-L1152 PolarHBondContact N-O 2.92Å; Y1017-L1152 PolarHBondContact O-N 3.25Å; Y1017-I1187 HydrophobicContact CD1-CG2 4.06Å; Y1017-I1187 HydrophobicContact CD2-CG2 4.11Å; Y1017-I1187 HydrophobicContact CE1-CD1 4.1Å; Y1017-I1187 HydrophobicContact CE1-CG2 3.64Å; Y1017-I1187 HydrophobicContact CE2-CG2 3.72Å; Y1017-I1187 HydrophobicContact CG-CG2 4.31Å; Y1017-I1187 VanDerWaalsContact CZ-CG2 3.47Å; Y1017-P1189 HydrophobicContact CD2-CB 4.06Å; Y1017-P1189 HydrophobicContact CD2-CG 4.33Å; Y1017-P1189 HydrophobicContact CG-CB 4.3Å; Y1017-P1189 HydrophobicContact CG-CG 4.33Å; Y1017-A1192 HydrophobicContact CE2-CB 4.16Å; Y1017-H1202 WeakPolarHBondContact CA-O 3.21Å; Y1017-H1202 HydrophobicContact CD2-CB 4.39Å; Y1017-H1202 HydrophobicContact CE1-CB 4.18Å; Y1017-H1202 HydrophobicContact CE2-CB 3.92Å; Y1017-V1203 HydrophobicContact CD2-CG2 3.61Å; Y1017-V1203 HydrophobicContact CE2-CG2 4.04Å
1018	N	92.1	Very high	72.7	Confident	21 Å²	21	75.3 Å²	75.3	11%	0.112	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.7	174.1	-67	-36.2	0	0	0	110	R1016 Q1020 S1151 H1202 H1204	R1016-N1018 PolarHBondContact NE-OD1 3.35Å; R1016-N1018 PolarHBondContact NH2-OD1 3.2Å; N1018-Q1020 PolarHBondContact O-N 3.49Å; N1018-S1151 PolarHBondContact OD1-OG 3.25Å; N1018-H1202 PolarHBondContact N-O 2.94Å; N1018-H1202 WeakPolarHBondContact O-CB 3.32Å; N1018-H1202 PolarHBondContact O-CD2 3.11Å; N1018-H1202 VanDerWaalsContact O-CD2 3.24Å; N1018-H1204 PolarHBondContact ND2-CD2 2.84Å; N1018-H1204 PolarHBondContact ND2-NE2 2.94Å
1019	F	88	Confident	69.9	Low	46 Å²	46	77 Å²	77	20%	0.202	43%	0.434	C	S	.	.	S	Bend	trans	-71.2	-17.1	179.5	-64.2	-62.1	0	0	0	114	Y1017 I1067 P1149 K1150 L1152 F1184 I1187	Y1017-F1019 HydrophobicContact CD1-CD1 4.04Å; Y1017-F1019 HydrophobicContact CD1-CE1 4.25Å; Y1017-F1019 HydrophobicContact CE1-CD1 4.06Å; F1019-I1067 HydrophobicContact CE2-CG2 3.81Å; F1019-I1067 HydrophobicContact CZ-CG2 4.22Å; F1019-P1149 HydrophobicContact CD2-CB 3.87Å; F1019-P1149 HydrophobicContact CE2-CB 3.91Å; F1019-K1150 PolarHBondContact N-O 3.06Å; F1019-K1150 VanDerWaalsContact N-O 3.16Å; F1019-L1152 HydrophobicContact CE2-CB 4.47Å; F1019-L1152 HydrophobicContact CZ-CB 3.95Å; F1019-F1184 AromaticContact CE1-CD1 3.66Å; F1019-F1184 HydrophobicContact CE1-CD1 3.66Å; F1019-F1184 AromaticContact CE1-CE1 3.92Å; F1019-F1184 HydrophobicContact CE1-CE1 3.92Å; F1019-F1184 AromaticContact CZ-CD1 3.74Å; F1019-F1184 HydrophobicContact CZ-CD1 3.74Å; F1019-F1184 AromaticContact CZ-CE1 3.76Å; F1019-F1184 HydrophobicContact CZ-CE1 3.76Å; F1019-I1187 HydrophobicContact CD1-CD1 3.55Å; F1019-I1187 HydrophobicContact CE1-CD1 3.7Å
1020	Q	78	Confident	67.1	Low	80 Å²	80	83.1 Å²	83.1	37%	0.374	48%	0.478	S	S	.	.	S	Bend	trans	-115.6	141.3	171	-88.1	177.6	-25.7	0	0	110.6	N1018 H1043	N1018-Q1020 PolarHBondContact O-N 3.49Å; Q1020-H1043 PolarHBondContact OE1-CE1 2.87Å; Q1020-H1043 VanDerWaalsContact OE1-CE1 3.25Å; Q1020-H1043 PolarHBondContact OE1-ND1 3.48Å
1021	A	60.3	Low	64.5	Low	61 Å²	61	82.9 Å²	82.9	50%	0.504	49%	0.488	S	S	.	.			trans	-61.8	143.9	171.4	0	0	0	0	0	110.1	A1023 H1202	A1021-A1023 PolarHBondContact O-N 3.49Å; A1021-H1202 WeakPolarHBondContact CA-NE2 3.49Å; A1021-H1202 WeakPolarHBondContact CB-NE2 3.07Å; A1021-H1202 PolarHBondContact N-CD2 2.75Å; A1021-H1202 PolarHBondContact N-NE2 2.88Å
1022	P	54	Low	61.8	Low	80 Å²	80	89.4 Å²	89.4	52%	0.519	51%	0.508	S	S	.	.			trans	-56.3	127.2	164.7	23.8	-30.6	0	0	0	108.2	T1024	P1022-T1024 VanDerWaalsContact C-N 3.34Å; P1022-T1024 PolarHBondContact O-N 3.31Å
1023	A	49	Very low	59.3	Low	93 Å²	93	94.3 Å²	94.3	77%	0.769	53%	0.531	S	S	*	.			trans	-54.7	103.8	169.3	0	0	0	0	0	107	A1021 N1025	A1021-A1023 PolarHBondContact O-N 3.49Å; A1023-N1025 PolarHBondContact O-N 2.81Å; A1023-N1025 VanDerWaalsContact O-N 3.12Å
1024	T	43.2	Very low	56.6	Low	126 Å²	126	100 Å²	100	77%	0.773	56%	0.562	S	S	*	*			trans	-60.1	122.7	175.8	41.6	0	0	0	0	105.8	P1022 A1026	P1022-T1024 VanDerWaalsContact C-N 3.34Å; P1022-T1024 PolarHBondContact O-N 3.31Å; T1024-A1026 PolarHBondContact O-N 2.83Å
1025	N	39.1	Very low	53.6	Low	151 Å²	151	105.2 Å²	105.2	81%	0.807	59%	0.592	S	S	*	*			trans	-59.7	81.7	178.6	-74.9	-46.6	0	0	0	109.3	A1023 R1027	A1023-N1025 PolarHBondContact O-N 2.81Å; A1023-N1025 VanDerWaalsContact O-N 3.12Å; N1025-R1027 PolarHBondContact O-N 2.72Å
1026	A	37.1	Very low	50.6	Low	93 Å²	93	109.5 Å²	109.5	77%	0.769	63%	0.628	S	S	*	*			trans	-75.2	61.3	162	0	0	0	0	0	108	T1024 D1028	T1024-A1026 PolarHBondContact O-N 2.83Å; A1026-D1028 PolarHBondContact O-N 2.79Å; A1026-D1028 VanDerWaalsContact O-N 3.09Å
1027	R	36.5	Very low	47.6	Very low	221 Å²	221	112.6 Å²	112.6	83%	0.834	66%	0.655	S	S	*	*			trans	-75.5	79.1	152.8	-80.5	-172.9	173.5	-175.1	-1.1	105.9	N1025	N1025-R1027 PolarHBondContact O-N 2.72Å
1028	D	36.3	Very low	44.7	Very low	151 Å²	151	118.1 Å²	118.1	81%	0.807	69%	0.686	S	S	*	*			trans	170.9	88.1	150.1	-89.4	-16.7	0	0	0	109	A1026	A1026-D1028 PolarHBondContact O-N 2.79Å; A1026-D1028 VanDerWaalsContact O-N 3.09Å
1029	S	33.4	Very low	42.1	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	72%	0.72	S	S	*	*			trans	175.5	91.4	137.5	-81.1	0	0	0	0	108.8	S1031	S1029-S1031 PolarHBondContact O-N 3.47Å
1030	S	33	Very low	39.7	Very low	131 Å²	131	130.2 Å²	130.2	92%	0.916	74%	0.743	S	S	*	*			trans	-59.5	98.5	157.7	54.6	0	0	0	0	109.1
1031	S	35.4	Very low	38.1	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	76%	0.76	S	S	*	*			trans	-146.7	119.8	160.1	61.8	0	0	0	0	110.1	S1029	S1029-S1031 PolarHBondContact O-N 3.47Å
1032	R	31.1	Very low	37.4	Very low	246 Å²	246	134.6 Å²	134.6	93%	0.928	77%	0.768	S	S	*	*			trans	-72.5	124.2	178.2	-64.8	165.2	167.4	140.5	-4.8	109.1
1033	V	34.8	Very low	37.6	Very low	137 Å²	137	133.4 Å²	133.4	83%	0.83	76%	0.755	S	S	*	*			trans	-162.4	99.2	144.2	-177.1	0	0	0	0	105.4
1034	D	33.1	Very low	38.8	Very low	134 Å²	134	133.4 Å²	133.4	72%	0.717	75%	0.747	S	S	*	*				63.5	110.8	101.3	-105.9	-17.2	0	0	0	115.8
1035	N	30.1	Very low	40.9	Very low	149 Å²	149	131 Å²	131	80%	0.797	73%	0.729	S	S	*	*			trans	58.6	79.3	146.4	-57.1	-38.5	0	0	0	119.5
1036	A	31.5	Very low	43.3	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	70%	0.699	S	S	*	*			trans	-124.3	134.4	138.1	0	0	0	0	0	107.6	D1038	A1036-D1038 PolarHBondContact O-N 2.9Å
1037	P	30.9	Very low	45.9	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	68%	0.678	S	S	*	*			trans	-62.2	133.6	-172.1	26.4	-31.6	0	0	0	109	Q1039	P1037-Q1039 PolarHBondContact O-N 3.34Å
1038	D	32.5	Very low	48.7	Very low	136 Å²	136	117.1 Å²	117.1	73%	0.727	66%	0.661	S	S	*	*			trans	-17.8	79	161.4	-155.9	23	0	0	0	112.2	A1036 Q1040	A1036-D1038 PolarHBondContact O-N 2.9Å; D1038-Q1040 PolarHBondContact O-N 3.44Å
1039	Q	36.9	Very low	51.5	Low	178 Å²	178	110 Å²	110	83%	0.832	62%	0.623	S	S	*	*			trans	-71	79.7	157.8	-78.4	-176.1	1.7	0	0	102.9	P1037 N1041	P1037-Q1039 PolarHBondContact O-N 3.34Å; Q1039-N1041 VanDerWaalsContact C-N 3.34Å; Q1039-N1041 PolarHBondContact O-N 2.91Å
1040	Q	38.3	Very low	54.4	Low	144 Å²	144	107.5 Å²	107.5	67%	0.673	60%	0.599	S	S	*	*			trans	-38.6	113.4	153.8	-74.9	178.6	-1.7	0	0	104.2	D1038 S1042	D1038-Q1040 PolarHBondContact O-N 3.44Å; Q1040-S1042 PolarHBondContact O-N 3.38Å
1041	N	43.3	Very low	57.4	Low	136 Å²	136	101.3 Å²	101.3	73%	0.727	56%	0.556	S	S	*	*			trans	-62.1	71.2	168.8	-95.5	-27.8	0	0	0	105.9	Q1039 H1043	Q1039-N1041 VanDerWaalsContact C-N 3.34Å; Q1039-N1041 PolarHBondContact O-N 2.91Å; N1041-H1043 PolarHBondContact O-N 2.92Å
1042	S	45.7	Very low	60.2	Low	97 Å²	97	100.9 Å²	100.9	68%	0.678	54%	0.538	S	S	*	.			trans	-68.3	106.9	178	54.3	0	0	0	0	104.4	Q1040	Q1040-S1042 PolarHBondContact O-N 3.38Å
1043	H	57.8	Low	63.2	Low	55 Å²	55	89.4 Å²	89.4	26%	0.255	50%	0.495	S	S	.	.			trans	-51.6	126.6	171.1	-58.6	-79.5	0	0	0	107.8	Q1020 N1041 D1045 F1070 S1148	Q1020-H1043 PolarHBondContact OE1-CE1 2.87Å; Q1020-H1043 VanDerWaalsContact OE1-CE1 3.25Å; Q1020-H1043 PolarHBondContact OE1-ND1 3.48Å; N1041-H1043 PolarHBondContact O-N 2.92Å; H1043-D1045 PolarHBondContact O-N 3.27Å; H1043-F1070 AromaticContact CE1-CD2 3.55Å; H1043-F1070 AromaticContact CE1-CE2 3.29Å; H1043-F1070 WeakPolarHBondContact CE1-CE2 3.01Å; H1043-F1070 AromaticContact CE1-CZ 3.89Å; H1043-F1070 AromaticContact ND1-CD2 3.65Å; H1043-F1070 AromaticContact ND1-CE2 3.45Å; H1043-F1070 WeakPolarHBondContact ND1-CE2 3.21Å; H1043-F1070 AromaticContact NE2-CD2 3.93Å; H1043-S1148 VanDerWaalsContact CB-CB 3.46Å; H1043-S1148 WeakPolarHBondContact CB-OG 3.41Å
1044	P	74.2	Confident	66	Low	93 Å²	93	82.9 Å²	82.9	60%	0.604	46%	0.455	S	S	*	.			trans	-67.8	112.8	-175.4	25	-31.6	0	0	0	109.1	P1149	P1044-P1149 WeakPolarHBondContact O-CD 3.28Å
1045	D	87	Confident	68.9	Low	74 Å²	74	76.5 Å²	76.5	40%	0.396	42%	0.421	S	S	.	.			trans	-71.5	131.4	171.1	-60.2	-32.4	0	0	0	108.9	H1043 L1145 F1146 N1147 S1148	H1043-D1045 PolarHBondContact O-N 3.27Å; D1045-L1145 HydrophobicContact CB-CB 4.31Å; D1045-L1145 HydrophobicContact CB-CD1 4.31Å; D1045-F1146 WeakPolarHBondContact CA-O 3.38Å; D1045-N1147 WeakPolarHBondContact OD1-CA 3.33Å; D1045-S1148 PolarHBondContact OD1-N 3.48Å
1046	L	90.5	Very high	71.9	Confident	33 Å²	33	70 Å²	70	17%	0.173	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-98.7	115.1	-174.9	-58.2	175.1	0	0	0	110.7	Q1048 R1119 F1146 P1149 F1184	L1046-Q1048 VanDerWaalsContact C-N 3.3Å; L1046-R1119 PolarHBondContact O-NH2 3.27Å; L1046-F1146 HydrophobicContact CB-CB 4.22Å; L1046-F1146 PolarHBondContact N-O 3.06Å; L1046-F1146 PolarHBondContact O-N 3.3Å; L1046-P1149 HydrophobicContact CD1-CG 3.71Å; L1046-P1149 HydrophobicContact CG-CG 4.02Å; L1046-F1184 HydrophobicContact CD1-CE1 4.09Å; L1046-F1184 HydrophobicContact CD1-CZ 3.74Å
1047	A	92.5	Very high	74.9	Confident	39 Å²	39	65.9 Å²	65.9	32%	0.322	35%	0.353	S	S	.	.	S	Bend	trans	-79.6	-17.7	166.7	0	0	0	0	0	112.5	R1119 E1121 L1145	A1047-R1119 PolarHBondContact O-NH1 3.38Å; A1047-E1121 PolarHBondContact O-N 3.3Å; A1047-L1145 HydrophobicContact CB-CD2 3.75Å
1048	Q	94.3	Very high	77.8	Confident	103 Å²	103	65.2 Å²	65.2	48%	0.481	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.1	-179.6	163.5	172.4	19.6	0	0	110.7	L1046 R1119 H1120	L1046-Q1048 VanDerWaalsContact C-N 3.3Å; Q1048-R1119 WeakPolarHBondContact CA-O 3.42Å; Q1048-R1119 WeakPolarHBondContact CB-O 3.37Å; Q1048-R1119 VanDerWaalsContact CG-O 3.25Å; Q1048-R1119 WeakPolarHBondContact CG-O 3.42Å; Q1048-H1120 PolarHBondContact OE1-CD2 3.42Å
1049	E	94.4	Very high	80.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.7	169.4	65.5	-78.2	175.1	0	0	111.1	Y1089 T1118 R1119 F1184 N1185	E1049-Y1089 WeakPolarHBondContact OE1-CE1 3.47Å; E1049-Y1089 PolarHBondContact OE1-OH 2.86Å; E1049-Y1089 VanDerWaalsContact OE1-OH 3.06Å; E1049-T1118 WeakPolarHBondContact O-CA 3.48Å; E1049-R1119 VanDerWaalsContact CD-NE 3.32Å; E1049-R1119 PolarHBondContact N-O 3.21Å; E1049-R1119 PolarHBondContact O-N 3.45Å; E1049-R1119 VanDerWaalsContact OE1-CB 3.28Å; E1049-R1119 WeakPolarHBondContact OE1-CB 3.42Å; E1049-R1119 WeakPolarHBondContact OE1-CD 3.47Å; E1049-R1119 IonicContact OE1-CZ 3.46Å; E1049-R1119 IonicContact OE1-NE 3.5Å; E1049-R1119 PolarHBondContact OE1-NE 3.25Å; E1049-R1119 IonicContact OE1-NH2 3.62Å; E1049-R1119 IonicContact OE2-CZ 2.71Å; E1049-R1119 VanDerWaalsContact OE2-CZ 3.29Å; E1049-R1119 IonicContact OE2-NE 3.09Å; E1049-R1119 PolarHBondContact OE2-NE 2.99Å; E1049-R1119 IonicContact OE2-NH2 2.81Å; E1049-R1119 PolarHBondContact OE2-NH2 2.71Å; E1049-F1184 HydrophobicContact CB-CE2 3.72Å; E1049-F1184 HydrophobicContact CB-CZ 3.88Å; E1049-F1184 HydrophobicContact CG-CE2 3.97Å; E1049-F1184 HydrophobicContact CG-CZ 4.43Å; E1049-N1185 WeakPolarHBondContact CA-OD1 3.38Å
1050	E	94.5	Very high	83.3	Confident	56 Å²	56	55.9 Å²	55.9	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.1	175.1	179.8	166.4	-147	0	0	110	R1052 I1117 T1118 F1184 N1185	E1050-R1052 VanDerWaalsContact CD-NE 3.33Å; E1050-R1052 VanDerWaalsContact CD-NH2 3.32Å; E1050-R1052 HydrophobicContact CG-CG 4.24Å; E1050-R1052 IonicContact OE1-CZ 3.87Å; E1050-R1052 IonicContact OE1-NE 2.87Å; E1050-R1052 PolarHBondContact OE1-NE 3.5Å; E1050-R1052 IonicContact OE1-NH2 3.6Å; E1050-R1052 PolarHBondContact OE1-NH2 2.78Å; E1050-R1052 IonicContact OE2-CZ 3.29Å; E1050-R1052 IonicContact OE2-NE 2.97Å; E1050-R1052 IonicContact OE2-NH2 3.8Å; E1050-R1052 PolarHBondContact OE2-NH2 2.78Å; E1050-I1117 CarbonylContact C-O 3.57Å; E1050-I1117 WeakPolarHBondContact CA-O 3.37Å; E1050-T1118 HydrophobicContact CB-CG2 4.41Å; E1050-F1184 CarbonylContact O-C 3.53Å; E1050-F1184 WeakPolarHBondContact O-CA 3.36Å; E1050-N1185 PolarHBondContact N-OD1 3.39Å; E1050-N1185 PolarHBondContact O-N 2.62Å
1051	I	95.8	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.7	-178.5	-44.5	-161.8	0	0	0	108.3	F1053 L1065 I1067 L1075 N1116 I1117 Q1183 F1184	I1051-F1053 HydrophobicContact CG2-CD1 4.06Å; I1051-F1053 HydrophobicContact CG2-CE1 4.34Å; I1051-L1065 HydrophobicContact CD1-CD2 4.33Å; I1051-L1065 HydrophobicContact CG2-CD1 3.85Å; I1051-I1067 HydrophobicContact CD1-CD1 4.02Å; I1051-L1075 HydrophobicContact CD1-CD2 3.24Å; I1051-L1075 HydrophobicContact CD1-CG 4.3Å; I1051-N1116 CarbonylContact O-C 3.56Å; I1051-N1116 WeakPolarHBondContact O-CA 3.48Å; I1051-N1116 PolarHBondContact O-OD1 2.98Å; I1051-I1117 HydrophobicContact CB-CB 4.29Å; I1051-I1117 PolarHBondContact N-O 3.02Å; I1051-I1117 PolarHBondContact O-N 3.27Å; I1051-Q1183 WeakPolarHBondContact CA-O 3.33Å; I1051-F1184 HydrophobicContact CD1-CD2 3.75Å; I1051-F1184 HydrophobicContact CD1-CE2 3.89Å; I1051-F1184 HydrophobicContact CG1-CD2 3.72Å; I1051-F1184 HydrophobicContact CG1-CE2 4.06Å
1052	R	94.3	Very high	88.3	Confident	98 Å²	98	44.5 Å²	44.5	37%	0.37	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.9	175.6	-58.7	-179.9	-175.7	176.8	4.3	108	E1050 V1115 N1116 R1181 V1182 Q1183	E1050-R1052 VanDerWaalsContact CD-NE 3.33Å; E1050-R1052 VanDerWaalsContact CD-NH2 3.32Å; E1050-R1052 HydrophobicContact CG-CG 4.24Å; E1050-R1052 IonicContact OE1-CZ 3.87Å; E1050-R1052 IonicContact OE1-NE 2.87Å; E1050-R1052 PolarHBondContact OE1-NE 3.5Å; E1050-R1052 IonicContact OE1-NH2 3.6Å; E1050-R1052 PolarHBondContact OE1-NH2 2.78Å; E1050-R1052 IonicContact OE2-CZ 3.29Å; E1050-R1052 IonicContact OE2-NE 2.97Å; E1050-R1052 IonicContact OE2-NH2 3.8Å; E1050-R1052 PolarHBondContact OE2-NH2 2.78Å; R1052-V1115 WeakPolarHBondContact CA-O 3.18Å; R1052-N1116 HydrophobicContact CG-CB 4.35Å; R1052-R1181 CarbonylContact C-O 3.59Å; R1052-V1182 WeakPolarHBondContact O-CA 3.29Å; R1052-Q1183 HydrophobicContact CB-CB 4.49Å; R1052-Q1183 PolarHBondContact N-O 2.77Å; R1052-Q1183 PolarHBondContact O-N 2.98Å
1053	F	94.6	Very high	90.5	Very high	5 Å²	5	40 Å²	40	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	165.9	167.9	64.8	-80.5	0	0	0	109.8	I1051 F1055 L1064 V1077 V1115 L1179 S1180 R1181 V1182	I1051-F1053 HydrophobicContact CG2-CD1 4.06Å; I1051-F1053 HydrophobicContact CG2-CE1 4.34Å; F1053-F1055 HydrophobicContact CD2-CD1 4.39Å; F1053-F1055 HydrophobicContact CE2-CB 4.49Å; F1053-F1055 AromaticContact CE2-CD1 3.87Å; F1053-F1055 HydrophobicContact CE2-CD1 3.87Å; F1053-L1064 HydrophobicContact CE2-CB 3.97Å; F1053-L1064 HydrophobicContact CE2-CD1 3.88Å; F1053-L1064 HydrophobicContact CZ-CB 4.21Å; F1053-L1064 HydrophobicContact CZ-CD1 4.21Å; F1053-V1077 HydrophobicContact CE1-CB 4.49Å; F1053-V1077 HydrophobicContact CE1-CG1 4.37Å; F1053-V1077 HydrophobicContact CE1-CG2 4.4Å; F1053-V1077 HydrophobicContact CZ-CB 4.17Å; F1053-V1077 HydrophobicContact CZ-CG1 3.8Å; F1053-V1115 HydrophobicContact CD1-CB 4.32Å; F1053-V1115 HydrophobicContact CE1-CB 3.92Å; F1053-V1115 HydrophobicContact CE1-CG1 3.99Å; F1053-V1115 HydrophobicContact CE2-CB 4.36Å; F1053-V1115 HydrophobicContact CE2-CG2 4.27Å; F1053-V1115 HydrophobicContact CZ-CB 3.95Å; F1053-V1115 HydrophobicContact CZ-CG1 4.17Å; F1053-V1115 HydrophobicContact CZ-CG2 4.1Å; F1053-V1115 PolarHBondContact N-O 3.28Å; F1053-V1115 PolarHBondContact O-N 2.87Å; F1053-V1115 VanDerWaalsContact O-O 3.13Å; F1053-L1179 HydrophobicContact CD2-CD2 4.01Å; F1053-L1179 HydrophobicContact CE2-CD2 4.39Å; F1053-S1180 CarbonylContact C-O 3.55Å; F1053-S1180 WeakPolarHBondContact CA-O 3.39Å; F1053-R1181 WeakPolarHBondContact CA-O 3.46Å; F1053-V1182 HydrophobicContact CB-CB 4.27Å; F1053-V1182 HydrophobicContact CB-CG2 3.74Å
1054	S	93.5	Very high	92.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.5	163.8	59.3	0	0	0	0	111	H1113 L1179 S1180 R1181 G1215	S1054-H1113 CarbonylContact C-O 3.56Å; S1054-H1113 WeakPolarHBondContact CA-O 3.45Å; S1054-H1113 WeakPolarHBondContact CB-O 3.39Å; S1054-L1179 CarbonylContact O-C 3.49Å; S1054-L1179 WeakPolarHBondContact O-CA 3.45Å; S1054-S1180 PolarHBondContact N-O 3.17Å; S1054-S1180 PolarHBondContact O-N 3.13Å; S1054-S1180 WeakPolarHBondContact OG-CB 3.22Å; S1054-R1181 VanDerWaalsContact CB-NH2 3.33Å; S1054-R1181 PolarHBondContact OG-NE 2.95Å; S1054-R1181 VanDerWaalsContact OG-NE 3.09Å; S1054-R1181 PolarHBondContact OG-NH2 2.84Å; S1054-G1215 WeakPolarHBondContact CB-O 3.45Å; S1054-G1215 PolarHBondContact OG-O 3.47Å
1055	F	94.3	Very high	93.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.2	-178.8	74.4	-80.8	0	0	0	111.4	F1053 T1057 L1064 V1079 L1085 M1107 P1112 H1113 V1115 C1178 L1179	F1053-F1055 HydrophobicContact CD2-CD1 4.39Å; F1053-F1055 HydrophobicContact CE2-CB 4.49Å; F1053-F1055 AromaticContact CE2-CD1 3.87Å; F1053-F1055 HydrophobicContact CE2-CD1 3.87Å; F1055-T1057 HydrophobicContact CD2-CG2 4.02Å; F1055-T1057 HydrophobicContact CE2-CG2 4.07Å; F1055-L1064 HydrophobicContact CB-CD2 4.27Å; F1055-L1064 HydrophobicContact CD1-CD1 3.7Å; F1055-L1064 HydrophobicContact CD2-CD1 3.93Å; F1055-L1064 HydrophobicContact CD2-CD2 3.87Å; F1055-L1064 HydrophobicContact CE1-CD1 3.69Å; F1055-L1064 HydrophobicContact CE2-CD1 3.93Å; F1055-L1064 HydrophobicContact CE2-CD2 4.4Å; F1055-L1064 HydrophobicContact CG-CD1 3.81Å; F1055-L1064 HydrophobicContact CG-CD2 4.06Å; F1055-L1064 HydrophobicContact CZ-CD1 3.8Å; F1055-V1079 HydrophobicContact CE2-CG2 4.08Å; F1055-V1079 HydrophobicContact CZ-CG2 4.34Å; F1055-L1085 HydrophobicContact CE1-CD1 4.29Å; F1055-L1085 HydrophobicContact CZ-CD1 4.26Å; F1055-M1107 HydrophobicContact CE2-CB 4.34Å; F1055-M1107 HydrophobicContact CZ-CB 3.9Å; F1055-P1112 CarbonylContact O-C 3.54Å; F1055-P1112 WeakPolarHBondContact O-CA 3.04Å; F1055-H1113 HydrophobicContact CD1-CB 4.15Å; F1055-H1113 HydrophobicContact CE1-CB 3.7Å; F1055-H1113 HydrophobicContact CZ-CB 3.98Å; F1055-H1113 PolarHBondContact N-O 2.83Å; F1055-H1113 PolarHBondContact O-N 2.95Å; F1055-V1115 HydrophobicContact CD1-CG2 4.22Å; F1055-V1115 HydrophobicContact CE1-CG2 3.86Å; F1055-C1178 CarbonylContact C-O 3.54Å; F1055-C1178 WeakPolarHBondContact CA-O 3.41Å; F1055-L1179 HydrophobicContact CB-CD2 3.75Å
1056	S	94.1	Very high	93.6	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.1	164.8	169.9	0	0	0	0	108.5	G1110 G1177 C1178	S1056-G1110 VanDerWaalsContact OG-C 3.24Å; S1056-G1110 PolarHBondContact OG-O 2.61Å; S1056-G1177 CarbonylContact O-C 3.55Å; S1056-G1177 VanDerWaalsContact O-CA 3.22Å; S1056-G1177 WeakPolarHBondContact O-CA 3.46Å; S1056-C1178 PolarHBondContact N-O 2.91Å; S1056-C1178 PolarHBondContact O-N 3.37Å
1057	T	93.6	Very high	93.8	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.152	C	C	.	.			trans	-151.4	154.4	176	-174.4	0	0	0	0	110.6	F1055 K1059 A1108 N1109 G1110 F1175 T1176	F1055-T1057 HydrophobicContact CD2-CG2 4.02Å; F1055-T1057 HydrophobicContact CE2-CG2 4.07Å; T1057-K1059 PolarHBondContact OG1-N 2.83Å; T1057-K1059 PolarHBondContact OG1-O 2.91Å; T1057-A1108 HydrophobicContact CG2-CB 4.04Å; T1057-A1108 CarbonylContact O-C 3.42Å; T1057-A1108 WeakPolarHBondContact O-CA 3.13Å; T1057-N1109 PolarHBondContact O-N 3.47Å; T1057-G1110 WeakPolarHBondContact O-CA 2.98Å; T1057-G1110 PolarHBondContact O-N 2.87Å; T1057-F1175 HydrophobicContact CG2-CE2 4.21Å; T1057-T1176 WeakPolarHBondContact CB-O 3.35Å; T1057-T1176 PolarHBondContact OG1-O 2.85Å
1058	T	92.7	Very high	93.9	Very high	106 Å²	106	26.5 Å²	26.5	65%	0.65	14%	0.138	S	C	*	.	S	Bend	trans	-110.1	4.9	169	54	0	0	0	0	111.8
1059	K	92.1	Very high	93.7	Very high	77 Å²	77	22 Å²	22	34%	0.335	12%	0.118	S	C	.	.			trans	-114.8	134.8	-175.8	-62.2	-164	-171.3	167.9	0	112.3	E1011 T1057 C1062 T1176	E1011-K1059 IonicContact OE1-NZ 3.86Å; E1011-K1059 PolarHBondContact OE1-NZ 2.88Å; T1057-K1059 PolarHBondContact OG1-N 2.83Å; T1057-K1059 PolarHBondContact OG1-O 2.91Å; K1059-C1062 PolarHBondContact O-SG 2.63Å; K1059-C1062 VanDerWaalsContact O-SG 3.33Å; K1059-T1176 HydrophobicContact CD-CG2 4.45Å; K1059-T1176 PolarHBondContact NZ-OG1 3.28Å
1060	A	92.1	Very high	93.4	Very high	41 Å²	41	27.1 Å²	27.1	34%	0.339	14%	0.14	S	C	.	.			trans	-144.4	146.4	172.8	0	0	0	0	0	109.7	V1079 K1080 A1108	A1060-V1079 HydrophobicContact CB-CG1 3.85Å; A1060-K1080 WeakPolarHBondContact CB-O 3.2Å; A1060-A1108 HydrophobicContact CB-CB 3.95Å
1061	P	92.9	Very high	93.1	Very high	42 Å²	42	27.4 Å²	27.4	27%	0.273	15%	0.146	S	C	.	.	S	Bend	cis	-76.9	155.7	-3.1	33.6	-35.8	0	0	0	112.7	V1079 P1081 Y1170	P1061-V1079 WeakPolarHBondContact CA-O 3.31Å; P1061-V1079 WeakPolarHBondContact CB-O 3.26Å; P1061-P1081 HydrophobicContact CB-CG 4Å; P1061-P1081 HydrophobicContact CG-CG 4.05Å; P1061-Y1170 HydrophobicContact CB-CD1 3.41Å; P1061-Y1170 VanDerWaalsContact CB-CD1 3.41Å; P1061-Y1170 HydrophobicContact CB-CD2 4.49Å; P1061-Y1170 HydrophobicContact CB-CE1 3.91Å; P1061-Y1170 HydrophobicContact CB-CG 3.75Å; P1061-Y1170 HydrophobicContact CG-CD1 3.44Å; P1061-Y1170 VanDerWaalsContact CG-CD1 3.44Å; P1061-Y1170 HydrophobicContact CG-CE1 3.97Å; P1061-Y1170 HydrophobicContact CG-CG 4.21Å
1062	C	92.7	Very high	92.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.8	174	59.7	0	0	0	0	111.5	K1059 L1078 V1079 F1175	K1059-C1062 PolarHBondContact O-SG 2.63Å; K1059-C1062 VanDerWaalsContact O-SG 3.33Å; C1062-L1078 CarbonylContact O-C 3.56Å; C1062-L1078 WeakPolarHBondContact O-CA 3.33Å; C1062-L1078 WeakPolarHBondContact O-CB 3.44Å; C1062-V1079 PolarHBondContact N-O 3.09Å; C1062-V1079 VanDerWaalsContact N-O 3.1Å; C1062-V1079 PolarHBondContact O-N 3.01Å; C1062-F1175 HydrophobicContact CB-CB 4.1Å; C1062-F1175 HydrophobicContact CB-CD2 4.37Å
1063	I	93.1	Very high	92.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.4	175.7	-60	164.2	0	0	0	108.6	L1078 V1157 I1167 N1171 F1175	I1063-L1078 HydrophobicContact CG1-CB 4.38Å; I1063-V1157 HydrophobicContact CD1-CG2 3.93Å; I1063-V1157 HydrophobicContact CG2-CG2 4.06Å; I1063-I1167 HydrophobicContact CD1-CG2 3.71Å; I1063-I1167 WeakPolarHBondContact CD1-O 3.28Å; I1063-N1171 HydrophobicContact CD1-CB 3.81Å; I1063-F1175 VanDerWaalsContact O-CB 3.25Å; I1063-F1175 WeakPolarHBondContact O-CB 3.46Å
1064	L	93.8	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-47	-179.9	-57.5	176.3	0	0	0	110.9	F1053 F1055 V1077 V1079 L1085 L1154 F1175	F1053-L1064 HydrophobicContact CE2-CB 3.97Å; F1053-L1064 HydrophobicContact CE2-CD1 3.88Å; F1053-L1064 HydrophobicContact CZ-CB 4.21Å; F1053-L1064 HydrophobicContact CZ-CD1 4.21Å; F1055-L1064 HydrophobicContact CB-CD2 4.27Å; F1055-L1064 HydrophobicContact CD1-CD1 3.7Å; F1055-L1064 HydrophobicContact CD2-CD1 3.93Å; F1055-L1064 HydrophobicContact CD2-CD2 3.87Å; F1055-L1064 HydrophobicContact CE1-CD1 3.69Å; F1055-L1064 HydrophobicContact CE2-CD1 3.93Å; F1055-L1064 HydrophobicContact CE2-CD2 4.4Å; F1055-L1064 HydrophobicContact CG-CD1 3.81Å; F1055-L1064 HydrophobicContact CG-CD2 4.06Å; F1055-L1064 HydrophobicContact CZ-CD1 3.8Å; L1064-V1077 HydrophobicContact CD1-CG1 4.49Å; L1064-V1077 PolarHBondContact N-O 3.44Å; L1064-V1079 HydrophobicContact CD1-CG2 3.93Å; L1064-V1079 HydrophobicContact CD2-CG2 4.37Å; L1064-V1079 HydrophobicContact CG-CG2 4.22Å; L1064-L1085 HydrophobicContact CD1-CD1 3.77Å; L1064-L1154 WeakPolarHBondContact O-CD2 3.36Å; L1064-F1175 HydrophobicContact CD2-CD2 3.35Å; L1064-F1175 HydrophobicContact CD2-CE2 3.37Å; L1064-F1175 HydrophobicContact CD2-CG 4.26Å; L1064-F1175 HydrophobicContact CD2-CZ 4.31Å
1065	L	95.2	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.2	-177.3	178.9	149.5	0	0	0	109.9	I1051 I1067 A1076 V1077 L1152 F1153 L1154 V1182	I1051-L1065 HydrophobicContact CD1-CD2 4.33Å; I1051-L1065 HydrophobicContact CG2-CD1 3.85Å; L1065-I1067 HydrophobicContact CD2-CD1 4.04Å; L1065-I1067 HydrophobicContact CD2-CG1 3.76Å; L1065-A1076 CarbonylContact O-C 3.56Å; L1065-A1076 WeakPolarHBondContact O-CA 3.26Å; L1065-V1077 PolarHBondContact N-O 2.65Å; L1065-V1077 PolarHBondContact O-N 2.98Å; L1065-L1152 HydrophobicContact CD1-CD1 4.14Å; L1065-L1152 HydrophobicContact CD1-CG 4.49Å; L1065-L1152 HydrophobicContact CG-CG 4.44Å; L1065-F1153 WeakPolarHBondContact CA-O 3.24Å; L1065-L1154 HydrophobicContact CB-CD2 4.12Å; L1065-L1154 HydrophobicContact CD1-CD2 4.18Å; L1065-L1154 HydrophobicContact CG-CD2 4.21Å; L1065-V1182 HydrophobicContact CD1-CG1 4.28Å
1066	Y	95.4	Very high	92.6	Very high	7 Å²	7	28 Å²	28	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.3	175	178.1	-99.9	0	0	0	110.4	F1074 L1075 A1076 L1152 F1153 V1157 I1167	Y1066-F1074 HydrophobicContact CD2-CD2 4.36Å; Y1066-F1074 HydrophobicContact CE2-CB 3.88Å; Y1066-F1074 AromaticContact CE2-CD2 3.61Å; Y1066-F1074 HydrophobicContact CE2-CD2 3.61Å; Y1066-F1074 HydrophobicContact CE2-CE2 4.38Å; Y1066-F1074 AromaticContact CE2-CG 3.9Å; Y1066-F1074 HydrophobicContact CE2-CG 3.9Å; Y1066-L1075 CarbonylContact C-O 3.49Å; Y1066-L1075 WeakPolarHBondContact CA-O 3.18Å; Y1066-A1076 HydrophobicContact CD2-CB 3.82Å; Y1066-A1076 HydrophobicContact CE2-CB 4.46Å; Y1066-L1152 CarbonylContact O-C 3.28Å; Y1066-L1152 WeakPolarHBondContact O-CA 3.32Å; Y1066-F1153 AromaticContact CD1-CD2 3.9Å; Y1066-F1153 HydrophobicContact CD1-CD2 3.9Å; Y1066-F1153 PolarHBondContact N-O 2.61Å; Y1066-F1153 PolarHBondContact O-N 2.83Å; Y1066-V1157 HydrophobicContact CD1-CB 4.37Å; Y1066-V1157 HydrophobicContact CD1-CG1 3.4Å; Y1066-V1157 VanDerWaalsContact CD1-CG1 3.4Å; Y1066-V1157 HydrophobicContact CD1-CG2 4.01Å; Y1066-V1157 HydrophobicContact CE1-CG1 3.71Å; Y1066-V1157 HydrophobicContact CG-CG1 4.06Å; Y1066-V1157 HydrophobicContact CG-CG2 3.84Å; Y1066-I1167 HydrophobicContact CD2-CG1 4.46Å; Y1066-I1167 HydrophobicContact CD2-CG2 4.07Å; Y1066-I1167 HydrophobicContact CE2-CG1 4.23Å; Y1066-I1167 HydrophobicContact CE2-CG2 4.07Å
1067	I	95	Very high	92.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	176.6	-54.3	-178.5	0	0	0	108.4	F1019 I1051 L1065 F1074 L1075 F1146 S1151 L1152 F1184	F1019-I1067 HydrophobicContact CE2-CG2 3.81Å; F1019-I1067 HydrophobicContact CZ-CG2 4.22Å; I1051-I1067 HydrophobicContact CD1-CD1 4.02Å; L1065-I1067 HydrophobicContact CD2-CD1 4.04Å; L1065-I1067 HydrophobicContact CD2-CG1 3.76Å; I1067-F1074 VanDerWaalsContact O-CA 3.26Å; I1067-F1074 WeakPolarHBondContact O-CA 3.39Å; I1067-F1074 WeakPolarHBondContact O-CB 3.21Å; I1067-L1075 HydrophobicContact CB-CB 4.41Å; I1067-L1075 HydrophobicContact CD1-CD2 4.43Å; I1067-L1075 PolarHBondContact N-O 2.97Å; I1067-L1075 PolarHBondContact O-N 2.88Å; I1067-F1146 HydrophobicContact CB-CE1 4.17Å; I1067-F1146 HydrophobicContact CB-CZ 4.15Å; I1067-F1146 HydrophobicContact CG2-CE1 3.79Å; I1067-F1146 HydrophobicContact CG2-CZ 3.74Å; I1067-S1151 CarbonylContact C-O 3.54Å; I1067-S1151 WeakPolarHBondContact CA-O 3.4Å; I1067-L1152 HydrophobicContact CD1-CD1 4.12Å; I1067-L1152 HydrophobicContact CG1-CB 4.24Å; I1067-L1152 HydrophobicContact CG1-CD1 4.18Å; I1067-L1152 HydrophobicContact CG1-CG 4.09Å; I1067-F1184 HydrophobicContact CD1-CD2 3.34Å; I1067-F1184 HydrophobicContact CD1-CE2 3.27Å; I1067-F1184 HydrophobicContact CD1-CG 4.07Å; I1067-F1184 HydrophobicContact CD1-CZ 3.92Å
1068	S	93.1	Very high	92.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	159.9	174.1	63	0	0	0	0	111.5	K1150 S1151 E1159	S1068-K1150 PolarHBondContact O-N 2.03Å; S1068-S1151 PolarHBondContact N-O 3.43Å; S1068-S1151 PolarHBondContact O-N 2.83Å; S1068-S1151 PolarHBondContact OG-N 2.59Å; S1068-S1151 PolarHBondContact OG-O 2.89Å; S1068-E1159 WeakPolarHBondContact CB-OE2 3.25Å; S1068-E1159 PolarHBondContact OG-OE2 2.76Å
1069	S	91.4	Very high	92.8	Very high	10 Å²	10	22.2 Å²	22.2	7%	0.07	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	174.2	169.1	61.9	0	0	0	0	111.7	T1071 D1073 N1147 S1148	S1069-T1071 VanDerWaalsContact C-N 3.25Å; S1069-T1071 VanDerWaalsContact OG-C 3.24Å; S1069-T1071 PolarHBondContact OG-N 2.82Å; S1069-T1071 PolarHBondContact OG-O 2.9Å; S1069-T1071 PolarHBondContact OG-OG1 2.94Å; S1069-D1073 WeakPolarHBondContact CB-O 3.42Å; S1069-D1073 PolarHBondContact N-O 3.09Å; S1069-D1073 WeakPolarHBondContact OG-CA 3.48Å; S1069-D1073 PolarHBondContact OG-N 2.86Å; S1069-D1073 PolarHBondContact OG-O 3.07Å; S1069-N1147 WeakPolarHBondContact CB-O 3.28Å; S1069-S1148 CarbonylContact C-O 3.55Å; S1069-S1148 VanDerWaalsContact CA-O 3.26Å; S1069-S1148 WeakPolarHBondContact CA-O 3.38Å; S1069-S1148 WeakPolarHBondContact CB-O 3.44Å
1070	F	88.3	Confident	92.8	Very high	107 Å²	107	20.3 Å²	20.3	47%	0.469	12%	0.116	S	C	.	.	S	Bend	trans	-76.7	-15	163.5	-67.4	-76.5	0	0	0	112.7	H1043 S1148 K1150	H1043-F1070 AromaticContact CE1-CD2 3.55Å; H1043-F1070 AromaticContact CE1-CE2 3.29Å; H1043-F1070 WeakPolarHBondContact CE1-CE2 3.01Å; H1043-F1070 AromaticContact CE1-CZ 3.89Å; H1043-F1070 AromaticContact ND1-CD2 3.65Å; H1043-F1070 AromaticContact ND1-CE2 3.45Å; H1043-F1070 WeakPolarHBondContact ND1-CE2 3.21Å; H1043-F1070 AromaticContact NE2-CD2 3.93Å; F1070-S1148 WeakPolarHBondContact CD2-O 3.31Å; F1070-S1148 PolarHBondContact N-O 3.24Å; F1070-K1150 HydrophobicContact CD1-CB 4.37Å; F1070-K1150 HydrophobicContact CD1-CD 3.93Å; F1070-K1150 HydrophobicContact CD1-CG 4.11Å; F1070-K1150 HydrophobicContact CD2-CB 3.86Å; F1070-K1150 HydrophobicContact CD2-CG 4.31Å; F1070-K1150 HydrophobicContact CE1-CB 4.33Å; F1070-K1150 HydrophobicContact CE1-CD 3.84Å; F1070-K1150 HydrophobicContact CE1-CG 3.73Å; F1070-K1150 HydrophobicContact CE2-CB 3.79Å; F1070-K1150 HydrophobicContact CE2-CG 3.94Å; F1070-K1150 HydrophobicContact CG-CB 4.16Å; F1070-K1150 HydrophobicContact CG-CD 4.46Å; F1070-K1150 HydrophobicContact CG-CG 4.4Å; F1070-K1150 HydrophobicContact CZ-CB 4.05Å; F1070-K1150 HydrophobicContact CZ-CD 4.29Å; F1070-K1150 HydrophobicContact CZ-CG 3.65Å
1071	T	87.2	Confident	92.8	Very high	62 Å²	62	22.1 Å²	22.1	38%	0.38	12%	0.124	S	C	.	.	S	Bend	trans	-91	-159.2	170.5	68.3	0	0	0	0	109.6	S1069 D1073 N1147	S1069-T1071 VanDerWaalsContact C-N 3.25Å; S1069-T1071 VanDerWaalsContact OG-C 3.24Å; S1069-T1071 PolarHBondContact OG-N 2.82Å; S1069-T1071 PolarHBondContact OG-O 2.9Å; S1069-T1071 PolarHBondContact OG-OG1 2.94Å; T1071-D1073 VanDerWaalsContact C-N 3.29Å; T1071-D1073 WeakPolarHBondContact OG1-CB 3.11Å; T1071-D1073 PolarHBondContact OG1-N 2.82Å; T1071-D1073 PolarHBondContact OG1-OD2 2.81Å; T1071-N1147 HydrophobicContact CG2-CB 3.91Å; T1071-N1147 PolarHBondContact OG1-O 3.42Å
1072	T	86.7	Confident	92.7	Very high	99 Å²	99	24.9 Å²	24.9	61%	0.607	14%	0.14	S	C	*	.	S	Bend	trans	-89.6	2.6	172.4	50.5	0	0	0	0	113.1	N1090	T1072-N1090 PolarHBondContact O-ND2 2.58Å
1073	D	92.1	Very high	92.7	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	14%	0.141	C	C	.	.			trans	-75.7	143.4	-174.4	-57.3	-10.1	0	0	0	110.1	S1069 T1071 N1090 L1091 F1146 N1147	S1069-D1073 WeakPolarHBondContact CB-O 3.42Å; S1069-D1073 PolarHBondContact N-O 3.09Å; S1069-D1073 WeakPolarHBondContact OG-CA 3.48Å; S1069-D1073 PolarHBondContact OG-N 2.86Å; S1069-D1073 PolarHBondContact OG-O 3.07Å; T1071-D1073 VanDerWaalsContact C-N 3.29Å; T1071-D1073 WeakPolarHBondContact OG1-CB 3.11Å; T1071-D1073 PolarHBondContact OG1-N 2.82Å; T1071-D1073 PolarHBondContact OG1-OD2 2.81Å; D1073-N1090 CarbonylContact C-O 3.51Å; D1073-N1090 WeakPolarHBondContact CA-O 3.05Å; D1073-N1090 VanDerWaalsContact CB-O 3.29Å; D1073-N1090 WeakPolarHBondContact CB-O 3.45Å; D1073-L1091 VanDerWaalsContact OD1-C 3.31Å; D1073-F1146 HydrophobicContact CB-CD2 3.66Å; D1073-F1146 HydrophobicContact CB-CE2 3.71Å; D1073-N1147 VanDerWaalsContact OD2-CB 3.3Å; D1073-N1147 WeakPolarHBondContact OD2-CB 3.31Å; D1073-N1147 PolarHBondContact OD2-N 3.46Å; D1073-N1147 PolarHBondContact OD2-ND2 3.19Å
1074	F	93.9	Very high	92.7	Very high	9 Å²	9	25 Å²	25	4%	0.039	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	161.6	174.7	73.1	-92	0	0	0	112.3	Y1066 I1067 A1076 R1088 N1090 P1097 D1164 I1167	Y1066-F1074 HydrophobicContact CD2-CD2 4.36Å; Y1066-F1074 HydrophobicContact CE2-CB 3.88Å; Y1066-F1074 AromaticContact CE2-CD2 3.61Å; Y1066-F1074 HydrophobicContact CE2-CD2 3.61Å; Y1066-F1074 HydrophobicContact CE2-CE2 4.38Å; Y1066-F1074 AromaticContact CE2-CG 3.9Å; Y1066-F1074 HydrophobicContact CE2-CG 3.9Å; I1067-F1074 VanDerWaalsContact O-CA 3.26Å; I1067-F1074 WeakPolarHBondContact O-CA 3.39Å; I1067-F1074 WeakPolarHBondContact O-CB 3.21Å; F1074-A1076 HydrophobicContact CD2-CB 4.3Å; F1074-A1076 HydrophobicContact CE2-CB 4.3Å; F1074-R1088 HydrophobicContact CE2-CB 4.26Å; F1074-N1090 HydrophobicContact CD1-CB 3.64Å; F1074-N1090 HydrophobicContact CE1-CB 3.45Å; F1074-N1090 VanDerWaalsContact CE1-CB 3.45Å; F1074-N1090 HydrophobicContact CG-CB 4.34Å; F1074-N1090 HydrophobicContact CZ-CB 4.03Å; F1074-N1090 PolarHBondContact N-O 3.29Å; F1074-N1090 PolarHBondContact O-N 3.21Å; F1074-P1097 HydrophobicContact CE1-CG 4.1Å; F1074-P1097 HydrophobicContact CZ-CB 4.04Å; F1074-P1097 HydrophobicContact CZ-CG 3.75Å; F1074-D1164 HydrophobicContact CE1-CB 3.83Å; F1074-D1164 HydrophobicContact CE2-CB 4.37Å; F1074-D1164 HydrophobicContact CZ-CB 3.56Å; F1074-I1167 HydrophobicContact CE2-CG1 4.33Å
1075	L	94.8	Very high	92.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.9	169.5	169.6	56.1	0	0	0	109.4	I1051 Y1066 I1067 I1087 R1088 Y1089 F1146	I1051-L1075 HydrophobicContact CD1-CD2 3.24Å; I1051-L1075 HydrophobicContact CD1-CG 4.3Å; Y1066-L1075 CarbonylContact C-O 3.49Å; Y1066-L1075 WeakPolarHBondContact CA-O 3.18Å; I1067-L1075 HydrophobicContact CB-CB 4.41Å; I1067-L1075 HydrophobicContact CD1-CD2 4.43Å; I1067-L1075 PolarHBondContact N-O 2.97Å; I1067-L1075 PolarHBondContact O-N 2.88Å; L1075-I1087 HydrophobicContact CD1-CG2 3.91Å; L1075-R1088 WeakPolarHBondContact CA-O 3.32Å; L1075-R1088 WeakPolarHBondContact CD1-O 3.5Å; L1075-Y1089 HydrophobicContact CB-CD1 4.41Å; L1075-Y1089 HydrophobicContact CB-CE1 4.2Å; L1075-Y1089 HydrophobicContact CD1-CD1 3.94Å; L1075-Y1089 HydrophobicContact CD1-CD2 3.71Å; L1075-Y1089 HydrophobicContact CD1-CE1 3.61Å; L1075-Y1089 HydrophobicContact CD1-CE2 3.37Å; L1075-Y1089 HydrophobicContact CD1-CG 3.99Å; L1075-Y1089 HydrophobicContact CD2-CE1 3.7Å; L1075-Y1089 HydrophobicContact CD2-CE2 4.49Å; L1075-Y1089 WeakPolarHBondContact CD2-OH 3.38Å; L1075-Y1089 HydrophobicContact CG-CE1 4.05Å; L1075-F1146 HydrophobicContact CB-CE1 4.03Å; L1075-F1146 HydrophobicContact CB-CZ 4.41Å
1076	A	95.2	Very high	92.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.5	176.9	0	0	0	0	0	111.9	L1065 Y1066 F1074 I1087 R1088 I1167	L1065-A1076 CarbonylContact O-C 3.56Å; L1065-A1076 WeakPolarHBondContact O-CA 3.26Å; Y1066-A1076 HydrophobicContact CD2-CB 3.82Å; Y1066-A1076 HydrophobicContact CE2-CB 4.46Å; F1074-A1076 HydrophobicContact CD2-CB 4.3Å; F1074-A1076 HydrophobicContact CE2-CB 4.3Å; A1076-I1087 CarbonylContact O-C 3.54Å; A1076-I1087 WeakPolarHBondContact O-CA 3.29Å; A1076-R1088 HydrophobicContact CB-CB 4.32Å; A1076-R1088 PolarHBondContact N-O 3.27Å; A1076-R1088 PolarHBondContact O-N 3.16Å; A1076-I1167 HydrophobicContact CB-CD1 3.39Å; A1076-I1167 HydrophobicContact CB-CG1 4.34Å
1077	V	95.6	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123	168.2	-169	0	0	0	0	108.3	F1053 L1064 L1065 L1085 Q1086 I1087 I1117	F1053-V1077 HydrophobicContact CE1-CB 4.49Å; F1053-V1077 HydrophobicContact CE1-CG1 4.37Å; F1053-V1077 HydrophobicContact CE1-CG2 4.4Å; F1053-V1077 HydrophobicContact CZ-CB 4.17Å; F1053-V1077 HydrophobicContact CZ-CG1 3.8Å; L1064-V1077 HydrophobicContact CD1-CG1 4.49Å; L1064-V1077 PolarHBondContact N-O 3.44Å; L1065-V1077 PolarHBondContact N-O 2.65Å; L1065-V1077 PolarHBondContact O-N 2.98Å; V1077-L1085 HydrophobicContact CG1-CD1 3.78Å; V1077-L1085 HydrophobicContact CG1-CG 4.36Å; V1077-Q1086 WeakPolarHBondContact CA-O 3.4Å; V1077-I1087 HydrophobicContact CG1-CG1 4.26Å; V1077-I1087 HydrophobicContact CG2-CG1 4.39Å; V1077-I1117 HydrophobicContact CG2-CD1 3.64Å
1078	L	94.3	Very high	92.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.4	-172.2	66.6	86.6	0	0	0	112	C1062 I1063 K1080 Q1086 R1088 I1167 Y1170	C1062-L1078 CarbonylContact O-C 3.56Å; C1062-L1078 WeakPolarHBondContact O-CA 3.33Å; C1062-L1078 WeakPolarHBondContact O-CB 3.44Å; I1063-L1078 HydrophobicContact CG1-CB 4.38Å; L1078-K1080 HydrophobicContact CD1-CG 3.89Å; L1078-Q1086 HydrophobicContact CD1-CB 3.97Å; L1078-Q1086 HydrophobicContact CG-CB 4.31Å; L1078-Q1086 PolarHBondContact N-O 3.17Å; L1078-Q1086 PolarHBondContact O-N 2.82Å; L1078-R1088 HydrophobicContact CD2-CG 4.47Å; L1078-I1167 HydrophobicContact CD2-CD1 3.63Å; L1078-Y1170 HydrophobicContact CD1-CD2 3.83Å; L1078-Y1170 HydrophobicContact CD1-CE2 4.04Å; L1078-Y1170 HydrophobicContact CD2-CD2 4.05Å
1079	V	93.8	Very high	92.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.1	171.1	-174.9	0	0	0	0	108	F1055 A1060 P1061 C1062 L1064 G1083 L1085 A1108	F1055-V1079 HydrophobicContact CE2-CG2 4.08Å; F1055-V1079 HydrophobicContact CZ-CG2 4.34Å; A1060-V1079 HydrophobicContact CB-CG1 3.85Å; P1061-V1079 WeakPolarHBondContact CA-O 3.31Å; P1061-V1079 WeakPolarHBondContact CB-O 3.26Å; C1062-V1079 PolarHBondContact N-O 3.09Å; C1062-V1079 VanDerWaalsContact N-O 3.1Å; C1062-V1079 PolarHBondContact O-N 3.01Å; L1064-V1079 HydrophobicContact CD1-CG2 3.93Å; L1064-V1079 HydrophobicContact CD2-CG2 4.37Å; L1064-V1079 HydrophobicContact CG-CG2 4.22Å; V1079-G1083 WeakPolarHBondContact CG1-O 3.28Å; V1079-L1085 HydrophobicContact CG2-CD1 4.43Å; V1079-A1108 HydrophobicContact CG1-CB 4.3Å
1080	K	92.9	Very high	93	Very high	38 Å²	38	26.5 Å²	26.5	17%	0.165	15%	0.148	C	C	.	.			trans	-70.3	165.4	178.2	-70	-163.4	-61.4	-172.8	0	111.2	A1060 L1078 T1082 G1083 S1084 Q1086 D1101	A1060-K1080 WeakPolarHBondContact CB-O 3.2Å; L1078-K1080 HydrophobicContact CD1-CG 3.89Å; K1080-T1082 PolarHBondContact O-N 3.42Å; K1080-G1083 WeakPolarHBondContact O-CA 3.49Å; K1080-G1083 PolarHBondContact O-N 3.05Å; K1080-S1084 WeakPolarHBondContact CE-OG 3.49Å; K1080-S1084 PolarHBondContact N-O 2.8Å; K1080-Q1086 HydrophobicContact CD-CB 4.27Å; K1080-Q1086 HydrophobicContact CG-CB 4.02Å; K1080-D1101 VanDerWaalsContact CE-OD1 3.28Å; K1080-D1101 WeakPolarHBondContact CE-OD1 3.37Å; K1080-D1101 IonicContact NZ-OD1 3.9Å; K1080-D1101 PolarHBondContact NZ-OD1 2.95Å; K1080-D1101 IonicContact NZ-OD2 3.39Å; K1080-D1101 PolarHBondContact NZ-OD2 2.94Å
1081	P	91.6	Very high	93.2	Very high	79 Å²	79	21.4 Å²	21.4	51%	0.513	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.2	175.9	-25.8	34.5	0	0	0	114.5	P1061 G1083 Y1170	P1061-P1081 HydrophobicContact CB-CG 4Å; P1061-P1081 HydrophobicContact CG-CG 4.05Å; P1081-G1083 PolarHBondContact O-N 3Å; P1081-Y1170 HydrophobicContact CG-CE1 3.82Å
1082	T	91.3	Very high	93.3	Very high	99 Å²	99	19.1 Å²	19.1	61%	0.607	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.7	173.7	50.5	0	0	0	0	113.7	K1080 S1084	K1080-T1082 PolarHBondContact O-N 3.42Å; T1082-S1084 VanDerWaalsContact C-N 3.3Å; T1082-S1084 PolarHBondContact OG1-OG 2.79Å
1083	G	91.4	Very high	93.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	84.8	-4.9	-173	0	0	0	0	0	114.6	V1079 K1080 P1081 N1106 M1107	V1079-G1083 WeakPolarHBondContact CG1-O 3.28Å; K1080-G1083 WeakPolarHBondContact O-CA 3.49Å; K1080-G1083 PolarHBondContact O-N 3.05Å; P1081-G1083 PolarHBondContact O-N 3Å; G1083-N1106 VanDerWaalsContact CA-OD1 3.25Å; G1083-N1106 WeakPolarHBondContact CA-OD1 3.46Å; G1083-M1107 PolarHBondContact O-N 3.41Å
1084	S	93.8	Very high	93	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	12%	0.118	C	C	.	.			trans	-77.8	144.3	179.6	65.1	0	0	0	0	111.4	K1080 T1082 D1103	K1080-S1084 WeakPolarHBondContact CE-OG 3.49Å; K1080-S1084 PolarHBondContact N-O 2.8Å; T1082-S1084 VanDerWaalsContact C-N 3.3Å; T1082-S1084 PolarHBondContact OG1-OG 2.79Å; S1084-D1103 WeakPolarHBondContact CB-O 3.23Å
1085	L	94.7	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139	178.8	-173.9	74	0	0	0	110.4	F1055 L1064 V1077 V1079 V1102 M1107 V1115 L1128	F1055-L1085 HydrophobicContact CE1-CD1 4.29Å; F1055-L1085 HydrophobicContact CZ-CD1 4.26Å; L1064-L1085 HydrophobicContact CD1-CD1 3.77Å; V1077-L1085 HydrophobicContact CG1-CD1 3.78Å; V1077-L1085 HydrophobicContact CG1-CG 4.36Å; V1079-L1085 HydrophobicContact CG2-CD1 4.43Å; L1085-V1102 HydrophobicContact CB-CB 4.12Å; L1085-V1102 HydrophobicContact CD2-CB 4.3Å; L1085-V1102 HydrophobicContact CD2-CG1 4.32Å; L1085-V1102 HydrophobicContact CG-CB 4.44Å; L1085-V1102 PolarHBondContact O-N 2.86Å; L1085-M1107 HydrophobicContact CB-CG 4.32Å; L1085-V1115 HydrophobicContact CD2-CG1 4.35Å; L1085-V1115 HydrophobicContact CD2-CG2 3.86Å; L1085-L1128 HydrophobicContact CD2-CD1 4.05Å
1086	Q	95.1	Very high	92.3	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.7	175.2	-177.3	-180	80.8	0	0	110.4	V1077 L1078 K1080 R1088 N1099 I1100 D1101	V1077-Q1086 WeakPolarHBondContact CA-O 3.4Å; L1078-Q1086 HydrophobicContact CD1-CB 3.97Å; L1078-Q1086 HydrophobicContact CG-CB 4.31Å; L1078-Q1086 PolarHBondContact N-O 3.17Å; L1078-Q1086 PolarHBondContact O-N 2.82Å; K1080-Q1086 HydrophobicContact CD-CB 4.27Å; K1080-Q1086 HydrophobicContact CG-CB 4.02Å; Q1086-R1088 HydrophobicContact CG-CG 4.05Å; Q1086-N1099 HydrophobicContact CG-CB 4.44Å; Q1086-I1100 VanDerWaalsContact CA-O 3.3Å; Q1086-I1100 WeakPolarHBondContact CA-O 3.19Å; Q1086-D1101 WeakPolarHBondContact CG-OD1 3.5Å; Q1086-D1101 PolarHBondContact NE2-OD1 2.97Å
1087	I	95.5	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.7	172.6	-55.7	160.1	0	0	0	108	L1075 A1076 V1077 Y1089 N1099 I1100 V1102 I1117 L1126	L1075-I1087 HydrophobicContact CD1-CG2 3.91Å; A1076-I1087 CarbonylContact O-C 3.54Å; A1076-I1087 WeakPolarHBondContact O-CA 3.29Å; V1077-I1087 HydrophobicContact CG1-CG1 4.26Å; V1077-I1087 HydrophobicContact CG2-CG1 4.39Å; I1087-Y1089 HydrophobicContact CG2-CD2 4.02Å; I1087-Y1089 HydrophobicContact CG2-CE2 3.76Å; I1087-N1099 CarbonylContact O-C 3.6Å; I1087-N1099 WeakPolarHBondContact O-CA 3.39Å; I1087-I1100 HydrophobicContact CB-CB 4.3Å; I1087-I1100 PolarHBondContact N-O 2.9Å; I1087-I1100 PolarHBondContact O-N 3.41Å; I1087-V1102 HydrophobicContact CD1-CG2 3.85Å; I1087-V1102 HydrophobicContact CG1-CG2 4.22Å; I1087-I1117 HydrophobicContact CD1-CD1 3.65Å; I1087-I1117 HydrophobicContact CD1-CG1 3.83Å; I1087-I1117 HydrophobicContact CG1-CD1 3.91Å; I1087-I1117 HydrophobicContact CG2-CD1 4.35Å; I1087-L1126 HydrophobicContact CD1-CD1 3.71Å; I1087-L1126 HydrophobicContact CD1-CD2 3.69Å; I1087-L1126 HydrophobicContact CD1-CG 4.22Å
1088	R	94.9	Very high	92.1	Very high	14 Å²	14	41.5 Å²	41.5	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.4	-177.9	-51.3	-178.5	69	116.9	-12	110.1	F1074 L1075 A1076 L1078 Q1086 Y1098 N1099 D1164 E1166	F1074-R1088 HydrophobicContact CE2-CB 4.26Å; L1075-R1088 WeakPolarHBondContact CA-O 3.32Å; L1075-R1088 WeakPolarHBondContact CD1-O 3.5Å; A1076-R1088 HydrophobicContact CB-CB 4.32Å; A1076-R1088 PolarHBondContact N-O 3.27Å; A1076-R1088 PolarHBondContact O-N 3.16Å; L1078-R1088 HydrophobicContact CD2-CG 4.47Å; Q1086-R1088 HydrophobicContact CG-CG 4.05Å; R1088-Y1098 WeakPolarHBondContact CA-O 3.28Å; R1088-N1099 VanDerWaalsContact CG-OD1 3.24Å; R1088-N1099 WeakPolarHBondContact CG-OD1 3.31Å; R1088-N1099 VanDerWaalsContact CZ-OD1 3.26Å; R1088-N1099 PolarHBondContact NE-OD1 3.28Å; R1088-D1164 IonicContact CZ-OD1 3.35Å; R1088-D1164 IonicContact NE-OD1 3.66Å; R1088-D1164 IonicContact NH2-OD1 2.75Å; R1088-D1164 PolarHBondContact NH2-OD1 2.92Å; R1088-D1164 IonicContact NH2-OD2 3.32Å; R1088-E1166 IonicContact NH1-OE2 2.82Å
1089	Y	95.1	Very high	92.1	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.6	173.8	-85.3	-87.5	0	0	0	110.8	E1049 L1075 I1087 L1091 P1097 Y1098 I1124 L1138	E1049-Y1089 WeakPolarHBondContact OE1-CE1 3.47Å; E1049-Y1089 PolarHBondContact OE1-OH 2.86Å; E1049-Y1089 VanDerWaalsContact OE1-OH 3.06Å; L1075-Y1089 HydrophobicContact CB-CD1 4.41Å; L1075-Y1089 HydrophobicContact CB-CE1 4.2Å; L1075-Y1089 HydrophobicContact CD1-CD1 3.94Å; L1075-Y1089 HydrophobicContact CD1-CD2 3.71Å; L1075-Y1089 HydrophobicContact CD1-CE1 3.61Å; L1075-Y1089 HydrophobicContact CD1-CE2 3.37Å; L1075-Y1089 HydrophobicContact CD1-CG 3.99Å; L1075-Y1089 HydrophobicContact CD2-CE1 3.7Å; L1075-Y1089 HydrophobicContact CD2-CE2 4.49Å; L1075-Y1089 WeakPolarHBondContact CD2-OH 3.38Å; L1075-Y1089 HydrophobicContact CG-CE1 4.05Å; I1087-Y1089 HydrophobicContact CG2-CD2 4.02Å; I1087-Y1089 HydrophobicContact CG2-CE2 3.76Å; Y1089-L1091 HydrophobicContact CD1-CD1 4.39Å; Y1089-L1091 HydrophobicContact CD1-CD2 4.01Å; Y1089-L1091 HydrophobicContact CD1-CG 4.2Å; Y1089-P1097 CarbonylContact O-C 3.57Å; Y1089-P1097 WeakPolarHBondContact O-CA 3.38Å; Y1089-Y1098 PolarHBondContact N-O 2.79Å; Y1089-Y1098 PolarHBondContact O-N 3.24Å; Y1089-I1124 HydrophobicContact CD2-CD1 3.57Å; Y1089-I1124 HydrophobicContact CE2-CD1 3.58Å; Y1089-I1124 HydrophobicContact CE2-CG1 4.21Å; Y1089-I1124 HydrophobicContact CE2-CG2 4.49Å; Y1089-I1124 HydrophobicContact CG-CD1 4.31Å; Y1089-L1138 HydrophobicContact CG-CD2 4.46Å
1090	N	94.2	Very high	92.1	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	106.7	162.7	-176.5	20.1	0	0	0	107.6	T1072 D1073 F1074 P1097	T1072-N1090 PolarHBondContact O-ND2 2.58Å; D1073-N1090 CarbonylContact C-O 3.51Å; D1073-N1090 WeakPolarHBondContact CA-O 3.05Å; D1073-N1090 VanDerWaalsContact CB-O 3.29Å; D1073-N1090 WeakPolarHBondContact CB-O 3.45Å; F1074-N1090 HydrophobicContact CD1-CB 3.64Å; F1074-N1090 HydrophobicContact CE1-CB 3.45Å; F1074-N1090 VanDerWaalsContact CE1-CB 3.45Å; F1074-N1090 HydrophobicContact CG-CB 4.34Å; F1074-N1090 HydrophobicContact CZ-CB 4.03Å; F1074-N1090 PolarHBondContact N-O 3.29Å; F1074-N1090 PolarHBondContact O-N 3.21Å; N1090-P1097 HydrophobicContact CB-CB 4.26Å; N1090-P1097 HydrophobicContact CB-CG 4.37Å
1091	L	93.4	Very high	92	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.			trans	-109.8	1.7	-179.5	-58.6	-175.1	0	0	0	112.6	D1073 Y1089 L1138 D1143 F1146	D1073-L1091 VanDerWaalsContact OD1-C 3.31Å; Y1089-L1091 HydrophobicContact CD1-CD1 4.39Å; Y1089-L1091 HydrophobicContact CD1-CD2 4.01Å; Y1089-L1091 HydrophobicContact CD1-CG 4.2Å; L1091-L1138 HydrophobicContact CD1-CD1 3.66Å; L1091-D1143 WeakPolarHBondContact O-CB 3.27Å; L1091-F1146 HydrophobicContact CD2-CB 3.72Å; L1091-F1146 HydrophobicContact CD2-CD1 4.44Å; L1091-F1146 HydrophobicContact CD2-CD2 4.12Å; L1091-F1146 HydrophobicContact CD2-CG 3.86Å
1092	G	88.3	Confident	91.7	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	98.6	165.8	-167.1	0	0	0	0	0	113.4	T1094 S1142 D1143	G1092-T1094 VanDerWaalsContact C-N 3.28Å; G1092-T1094 PolarHBondContact O-N 3.36Å; G1092-S1142 WeakPolarHBondContact O-CA 3.42Å; G1092-D1143 WeakPolarHBondContact CA-OD2 3.41Å; G1092-D1143 PolarHBondContact O-N 2.79Å
1093	G	86.2	Confident	90.7	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	20%	0.204	S	C	.	.	S	Bend	trans	80.7	-23.3	178.4	0	0	0	0	0	116.7	S1141 D1143	G1093-S1141 CarbonylContact C-O 3.5Å; G1093-S1141 VanDerWaalsContact C-O 3.24Å; G1093-S1141 WeakPolarHBondContact CA-O 3.22Å; G1093-D1143 PolarHBondContact N-OD2 2.99Å
1094	T	88	Confident	90.1	Very high	32 Å²	32	48.5 Å²	48.5	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-100.2	153.9	175.5	59.8	0	0	0	0	112.8	G1092 E1096 P1139	G1092-T1094 VanDerWaalsContact C-N 3.28Å; G1092-T1094 PolarHBondContact O-N 3.36Å; T1094-E1096 WeakPolarHBondContact CB-O 3.23Å; T1094-E1096 PolarHBondContact OG1-O 2.91Å; T1094-P1139 HydrophobicContact CG2-CB 4.2Å; T1094-P1139 HydrophobicContact CG2-CG 4.23Å
1095	R	86.1	Confident	89.7	Confident	260 Å²	260	54.4 Å²	54.4	98%	0.981	26%	0.263	S	S	*	.	S	Bend	trans	-74.3	-32	175.1	-72.6	-174.2	179.3	-170.2	0.2	113
1096	E	87.7	Confident	89.5	Confident	158 Å²	158	58.3 Å²	58.3	74%	0.738	28%	0.284	S	S	*	.	S	Bend	trans	-130.8	154.2	-179.7	-66.6	-178.5	-177	0	0	109.4	T1094	T1094-E1096 WeakPolarHBondContact CB-O 3.23Å; T1094-E1096 PolarHBondContact OG1-O 2.91Å
1097	P	91.6	Very high	89.3	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.143	28%	0.284	C	S	.	.			trans	-61.2	144.6	175.4	-21.9	33.2	0	0	0	112.6	F1074 Y1089 N1090	F1074-P1097 HydrophobicContact CE1-CG 4.1Å; F1074-P1097 HydrophobicContact CZ-CB 4.04Å; F1074-P1097 HydrophobicContact CZ-CG 3.75Å; Y1089-P1097 CarbonylContact O-C 3.57Å; Y1089-P1097 WeakPolarHBondContact O-CA 3.38Å; N1090-P1097 HydrophobicContact CB-CB 4.26Å; N1090-P1097 HydrophobicContact CB-CG 4.37Å
1098	Y	94	Very high	89.2	Confident	60 Å²	60	58.6 Å²	58.6	24%	0.235	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123	173.1	179.7	-110.3	0	0	0	110.4	R1088 Y1089 I1100 H1137 L1138 P1139	R1088-Y1098 WeakPolarHBondContact CA-O 3.28Å; Y1089-Y1098 PolarHBondContact N-O 2.79Å; Y1089-Y1098 PolarHBondContact O-N 3.24Å; Y1098-I1100 HydrophobicContact CD1-CG1 4.1Å; Y1098-I1100 HydrophobicContact CE1-CD1 3.93Å; Y1098-I1100 HydrophobicContact CE1-CG1 3.51Å; Y1098-H1137 PolarHBondContact OH-O 3.35Å; Y1098-L1138 HydrophobicContact CD1-CD2 3.61Å; Y1098-L1138 HydrophobicContact CE1-CD2 4.36Å; Y1098-L1138 HydrophobicContact CG-CD2 4.06Å; Y1098-P1139 HydrophobicContact CD2-CG 3.73Å; Y1098-P1139 HydrophobicContact CE2-CG 4.34Å; Y1098-P1139 HydrophobicContact CG-CG 4.26Å
1099	N	93.8	Very high	89	Confident	63 Å²	63	61.2 Å²	61.2	34%	0.337	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.6	-175.6	-56.2	-37.4	0	0	0	110.7	Q1086 I1087 R1088	Q1086-N1099 HydrophobicContact CG-CB 4.44Å; I1087-N1099 CarbonylContact O-C 3.6Å; I1087-N1099 WeakPolarHBondContact O-CA 3.39Å; R1088-N1099 VanDerWaalsContact CG-OD1 3.24Å; R1088-N1099 WeakPolarHBondContact CG-OD1 3.31Å; R1088-N1099 VanDerWaalsContact CZ-OD1 3.26Å; R1088-N1099 PolarHBondContact NE-OD1 3.28Å
1100	I	93.7	Very high	88.7	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.7	171.4	-56.1	168.3	0	0	0	107.2	Q1086 I1087 Y1098 V1102 I1124 Y1136	Q1086-I1100 VanDerWaalsContact CA-O 3.3Å; Q1086-I1100 WeakPolarHBondContact CA-O 3.19Å; I1087-I1100 HydrophobicContact CB-CB 4.3Å; I1087-I1100 PolarHBondContact N-O 2.9Å; I1087-I1100 PolarHBondContact O-N 3.41Å; Y1098-I1100 HydrophobicContact CD1-CG1 4.1Å; Y1098-I1100 HydrophobicContact CE1-CD1 3.93Å; Y1098-I1100 HydrophobicContact CE1-CG1 3.51Å; I1100-V1102 HydrophobicContact CG2-CG2 3.88Å; I1100-I1124 HydrophobicContact CD1-CB 4.41Å; I1100-I1124 HydrophobicContact CD1-CD1 3.9Å; I1100-I1124 HydrophobicContact CD1-CG2 4.14Å; I1100-Y1136 HydrophobicContact CD1-CD2 4.05Å; I1100-Y1136 HydrophobicContact CD1-CG 3.85Å; I1100-Y1136 HydrophobicContact CG1-CD1 4.33Å; I1100-Y1136 HydrophobicContact CG1-CG 4.16Å; I1100-Y1136 HydrophobicContact CG2-CD1 3.73Å; I1100-Y1136 HydrophobicContact CG2-CD2 3.85Å; I1100-Y1136 HydrophobicContact CG2-CE1 3.55Å; I1100-Y1136 HydrophobicContact CG2-CE2 3.66Å; I1100-Y1136 HydrophobicContact CG2-CG 3.87Å; I1100-Y1136 VanDerWaalsContact CG2-CZ 3.5Å
1101	D	91.3	Very high	88.5	Confident	71 Å²	71	67.2 Å²	67.2	38%	0.38	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.3	171.1	-76.8	-31.6	0	0	0	109.5	K1080 Q1086	K1080-D1101 VanDerWaalsContact CE-OD1 3.28Å; K1080-D1101 WeakPolarHBondContact CE-OD1 3.37Å; K1080-D1101 IonicContact NZ-OD1 3.9Å; K1080-D1101 PolarHBondContact NZ-OD1 2.95Å; K1080-D1101 IonicContact NZ-OD2 3.39Å; K1080-D1101 PolarHBondContact NZ-OD2 2.94Å; Q1086-D1101 WeakPolarHBondContact CG-OD1 3.5Å; Q1086-D1101 PolarHBondContact NE2-OD1 2.97Å
1102	V	85.5	Confident	88.3	Confident	6 Å²	6	68.7 Å²	68.7	4%	0.036	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.8	-170.2	-177.1	0	0	0	0	109.9	L1085 I1087 I1100 L1126 L1128	L1085-V1102 HydrophobicContact CB-CB 4.12Å; L1085-V1102 HydrophobicContact CD2-CB 4.3Å; L1085-V1102 HydrophobicContact CD2-CG1 4.32Å; L1085-V1102 HydrophobicContact CG-CB 4.44Å; L1085-V1102 PolarHBondContact O-N 2.86Å; I1087-V1102 HydrophobicContact CD1-CG2 3.85Å; I1087-V1102 HydrophobicContact CG1-CG2 4.22Å; I1100-V1102 HydrophobicContact CG2-CG2 3.88Å; V1102-L1126 HydrophobicContact CB-CD2 3.92Å; V1102-L1126 HydrophobicContact CG1-CD2 3.43Å; V1102-L1126 VanDerWaalsContact CG1-CD2 3.43Å; V1102-L1126 HydrophobicContact CG1-CG 4.49Å; V1102-L1126 HydrophobicContact CG2-CD2 3.2Å; V1102-L1128 HydrophobicContact CG1-CD2 3.97Å
1103	D	71.3	Confident	88.5	Confident	47 Å²	47	68.6 Å²	68.6	25%	0.251	34%	0.344	S	S	.	.			trans	56.4	153.7	-177.3	-156	-33.4	0	0	0	112	S1084 R1105 M1107 L1128	S1084-D1103 WeakPolarHBondContact CB-O 3.23Å; D1103-R1105 WeakPolarHBondContact OD1-CG 3.43Å; D1103-R1105 PolarHBondContact OD1-N 3.39Å; D1103-R1105 IonicContact OD1-NE 3.74Å; D1103-R1105 PolarHBondContact OD1-NE 3.06Å; D1103-R1105 IonicContact OD2-CZ 3.29Å; D1103-R1105 IonicContact OD2-NE 3.51Å; D1103-R1105 PolarHBondContact OD2-NE 2.03Å; D1103-R1105 IonicContact OD2-NH2 3.01Å; D1103-R1105 PolarHBondContact OD2-NH2 3.47Å; D1103-M1107 HydrophobicContact CB-CE 3.72Å; D1103-L1128 HydrophobicContact CB-CD2 4.49Å
1104	H	78.3	Confident	88.7	Confident	173 Å²	173	67.5 Å²	67.5	80%	0.801	33%	0.328	S	S	*	.	S	Bend	trans	-96.7	-2.3	174.4	-61.9	-51.2	0	0	0	112.1
1105	R	85.5	Confident	89	Confident	128 Å²	128	66.2 Å²	66.2	48%	0.483	32%	0.32	S	S	.	.	S	Bend	trans	-68.6	147.1	175.7	-77.2	-179.6	-97.1	-157.4	1	112.6	D1103 M1107 Y1131	D1103-R1105 WeakPolarHBondContact OD1-CG 3.43Å; D1103-R1105 PolarHBondContact OD1-N 3.39Å; D1103-R1105 IonicContact OD1-NE 3.74Å; D1103-R1105 PolarHBondContact OD1-NE 3.06Å; D1103-R1105 IonicContact OD2-CZ 3.29Å; D1103-R1105 IonicContact OD2-NE 3.51Å; D1103-R1105 PolarHBondContact OD2-NE 2.03Å; D1103-R1105 IonicContact OD2-NH2 3.01Å; D1103-R1105 PolarHBondContact OD2-NH2 3.47Å; R1105-M1107 HydrophobicContact CB-CE 3.69Å; R1105-M1107 PolarHBondContact O-N 3.15Å; R1105-Y1131 PolarHBondContact NH1-OH 3.08Å; R1105-Y1131 PolarHBondContact NH2-OH 2.84Å
1106	N	90.4	Very high	89.5	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.444	28%	0.284	S	S	.	.			trans	-77.2	108.2	173.2	-178.5	3.8	0	0	0	109.8	G1083 A1108 N1109	G1083-N1106 VanDerWaalsContact CA-OD1 3.25Å; G1083-N1106 WeakPolarHBondContact CA-OD1 3.46Å; N1106-A1108 WeakPolarHBondContact OD1-CA 3.45Å; N1106-A1108 WeakPolarHBondContact OD1-CB 3.5Å; N1106-A1108 PolarHBondContact OD1-N 2.97Å; N1106-N1109 PolarHBondContact O-ND2 3.25Å
1107	M	90.7	Very high	89.9	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.03	25%	0.248	C	C	.	.	S	Bend	trans	-86.1	-9.1	177	-54.4	-59.8	165.1	0	0	112.8	F1055 G1083 L1085 D1103 R1105 N1109 H1113 L1128	F1055-M1107 HydrophobicContact CE2-CB 4.34Å; F1055-M1107 HydrophobicContact CZ-CB 3.9Å; G1083-M1107 PolarHBondContact O-N 3.41Å; L1085-M1107 HydrophobicContact CB-CG 4.32Å; D1103-M1107 HydrophobicContact CB-CE 3.72Å; R1105-M1107 HydrophobicContact CB-CE 3.69Å; R1105-M1107 PolarHBondContact O-N 3.15Å; M1107-N1109 PolarHBondContact O-N 3.46Å; M1107-H1113 PolarHBondContact O-CD2 3.33Å; M1107-H1113 VanDerWaalsContact O-CD2 3.28Å; M1107-L1128 HydrophobicContact CE-CD2 3.55Å; M1107-L1128 HydrophobicContact SD-CD2 4.17Å
1108	A	92.4	Very high	90.1	Very high	10 Å²	10	48.7 Å²	48.7	8%	0.083	25%	0.25	C	S	.	.			trans	-87.6	49.6	171.2	0	0	0	0	0	110.9	T1057 A1060 V1079 N1106	T1057-A1108 HydrophobicContact CG2-CB 4.04Å; T1057-A1108 CarbonylContact O-C 3.42Å; T1057-A1108 WeakPolarHBondContact O-CA 3.13Å; A1060-A1108 HydrophobicContact CB-CB 3.95Å; V1079-A1108 HydrophobicContact CG1-CB 4.3Å; N1106-A1108 WeakPolarHBondContact OD1-CA 3.45Å; N1106-A1108 WeakPolarHBondContact OD1-CB 3.5Å; N1106-A1108 PolarHBondContact OD1-N 2.97Å
1109	N	91.4	Very high	90.2	Very high	68 Å²	68	45.8 Å²	45.8	36%	0.364	24%	0.239	S	C	.	.	S	Bend	trans	-103.1	4.2	-174.5	61.1	30.3	0	0	0	113.4	T1057 N1106 M1107 Q1111 H1113	T1057-N1109 PolarHBondContact O-N 3.47Å; N1106-N1109 PolarHBondContact O-ND2 3.25Å; M1107-N1109 PolarHBondContact O-N 3.46Å; N1109-Q1111 VanDerWaalsContact C-N 3.26Å; N1109-Q1111 PolarHBondContact O-N 2.78Å; N1109-Q1111 WeakPolarHBondContact OD1-CA 3.38Å; N1109-Q1111 WeakPolarHBondContact OD1-CB 3.16Å; N1109-Q1111 WeakPolarHBondContact OD1-CG 3.42Å; N1109-Q1111 PolarHBondContact OD1-N 2.77Å; N1109-H1113 PolarHBondContact ND2-NE2 3.3Å; N1109-H1113 PolarHBondContact OD1-NE2 3.01Å
1110	G	88.6	Confident	90.3	Very high	31 Å²	31	47.3 Å²	47.3	32%	0.32	24%	0.244	S	C	.	.	S	Bend	trans	79	-1.6	-177.1	0	0	0	0	0	115.3	S1056 T1057	S1056-G1110 VanDerWaalsContact OG-C 3.24Å; S1056-G1110 PolarHBondContact OG-O 2.61Å; T1057-G1110 WeakPolarHBondContact O-CA 2.98Å; T1057-G1110 PolarHBondContact O-N 2.87Å
1111	Q	89.6	Confident	90.3	Very high	123 Å²	123	52 Å²	52	58%	0.575	27%	0.266	S	S	*	.	S	Bend	trans	-87.5	152.2	173.2	-57.5	-177.1	-4.1	0	0	110.6	N1109 H1113	N1109-Q1111 VanDerWaalsContact C-N 3.26Å; N1109-Q1111 PolarHBondContact O-N 2.78Å; N1109-Q1111 WeakPolarHBondContact OD1-CA 3.38Å; N1109-Q1111 WeakPolarHBondContact OD1-CB 3.16Å; N1109-Q1111 WeakPolarHBondContact OD1-CG 3.42Å; N1109-Q1111 PolarHBondContact OD1-N 2.77Å; Q1111-H1113 PolarHBondContact O-CD2 3.25Å; Q1111-H1113 PolarHBondContact O-N 3.34Å
1112	P	90	Very high	90.4	Very high	32 Å²	32	52.1 Å²	52.1	21%	0.208	26%	0.263	C	S	.	.			trans	-73.5	125.4	174.3	28.8	-33.1	0	0	0	111	F1055 G1215 A1216	F1055-P1112 CarbonylContact O-C 3.54Å; F1055-P1112 WeakPolarHBondContact O-CA 3.04Å; P1112-G1215 WeakPolarHBondContact CB-O 3.4Å; P1112-A1216 WeakPolarHBondContact CB-O 3.47Å; P1112-A1216 WeakPolarHBondContact CG-O 3.33Å
1113	H	91.7	Very high	90.9	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.056	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.7	174.4	-68.6	-70.3	0	0	0	110.6	S1054 F1055 M1107 N1109 Q1111 D1129	S1054-H1113 CarbonylContact C-O 3.56Å; S1054-H1113 WeakPolarHBondContact CA-O 3.45Å; S1054-H1113 WeakPolarHBondContact CB-O 3.39Å; F1055-H1113 HydrophobicContact CD1-CB 4.15Å; F1055-H1113 HydrophobicContact CE1-CB 3.7Å; F1055-H1113 HydrophobicContact CZ-CB 3.98Å; F1055-H1113 PolarHBondContact N-O 2.83Å; F1055-H1113 PolarHBondContact O-N 2.95Å; M1107-H1113 PolarHBondContact O-CD2 3.33Å; M1107-H1113 VanDerWaalsContact O-CD2 3.28Å; N1109-H1113 PolarHBondContact ND2-NE2 3.3Å; N1109-H1113 PolarHBondContact OD1-NE2 3.01Å; Q1111-H1113 PolarHBondContact O-CD2 3.25Å; Q1111-H1113 PolarHBondContact O-N 3.34Å; H1113-D1129 WeakPolarHBondContact CA-OD1 3.48Å; H1113-D1129 IonicContact CE1-OD2 3.82Å; H1113-D1129 IonicContact CG-OD2 3.92Å; H1113-D1129 IonicContact ND1-OD1 2.72Å; H1113-D1129 IonicContact ND1-OD2 3.84Å; H1113-D1129 PolarHBondContact ND1-OD2 3.22Å
1114	S	92.1	Very high	92.2	Very high	29 Å²	29	51.3 Å²	51.3	20%	0.203	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.1	-179.9	-54.8	0	0	0	0	110.9	L1128 D1129 R1181	S1114-L1128 CarbonylContact O-C 3.56Å; S1114-L1128 WeakPolarHBondContact O-CA 3.49Å; S1114-D1129 PolarHBondContact N-OD1 3.31Å; S1114-D1129 PolarHBondContact O-N 2.79Å; S1114-R1181 PolarHBondContact OG-NH2 3.2Å
1115	V	93.7	Very high	93	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.2	-176.4	-176.2	0	0	0	0	108.6	R1052 F1053 F1055 L1085 I1117 L1126 L1128	R1052-V1115 WeakPolarHBondContact CA-O 3.18Å; F1053-V1115 HydrophobicContact CD1-CB 4.32Å; F1053-V1115 HydrophobicContact CE1-CB 3.92Å; F1053-V1115 HydrophobicContact CE1-CG1 3.99Å; F1053-V1115 HydrophobicContact CE2-CB 4.36Å; F1053-V1115 HydrophobicContact CE2-CG2 4.27Å; F1053-V1115 HydrophobicContact CZ-CB 3.95Å; F1053-V1115 HydrophobicContact CZ-CG1 4.17Å; F1053-V1115 HydrophobicContact CZ-CG2 4.1Å; F1053-V1115 PolarHBondContact N-O 3.28Å; F1053-V1115 PolarHBondContact O-N 2.87Å; F1053-V1115 VanDerWaalsContact O-O 3.13Å; F1055-V1115 HydrophobicContact CD1-CG2 4.22Å; F1055-V1115 HydrophobicContact CE1-CG2 3.86Å; L1085-V1115 HydrophobicContact CD2-CG1 4.35Å; L1085-V1115 HydrophobicContact CD2-CG2 3.86Å; V1115-I1117 HydrophobicContact CG1-CD1 3.82Å; V1115-I1117 HydrophobicContact CG1-CG1 3.88Å; V1115-L1126 HydrophobicContact CG1-CD1 4.02Å; V1115-L1128 HydrophobicContact CG2-CD1 3.8Å
1116	N	95.2	Very high	93.5	Very high	42 Å²	42	41.7 Å²	41.7	23%	0.225	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.8	169	-174.4	-4.7	0	0	0	109.4	I1051 R1052 L1126 K1127	I1051-N1116 CarbonylContact O-C 3.56Å; I1051-N1116 WeakPolarHBondContact O-CA 3.48Å; I1051-N1116 PolarHBondContact O-OD1 2.98Å; R1052-N1116 HydrophobicContact CG-CB 4.35Å; N1116-L1126 CarbonylContact O-C 3.58Å; N1116-L1126 WeakPolarHBondContact O-CA 3.5Å; N1116-K1127 HydrophobicContact CB-CB 4.23Å; N1116-K1127 PolarHBondContact N-O 2.8Å; N1116-K1127 PolarHBondContact O-N 2.81Å
1117	I	96.7	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.4	179.4	-59.4	158.2	0	0	0	107.3	E1050 I1051 V1077 I1087 V1115 I1124 F1125 L1126	E1050-I1117 CarbonylContact C-O 3.57Å; E1050-I1117 WeakPolarHBondContact CA-O 3.37Å; I1051-I1117 HydrophobicContact CB-CB 4.29Å; I1051-I1117 PolarHBondContact N-O 3.02Å; I1051-I1117 PolarHBondContact O-N 3.27Å; V1077-I1117 HydrophobicContact CG2-CD1 3.64Å; I1087-I1117 HydrophobicContact CD1-CD1 3.65Å; I1087-I1117 HydrophobicContact CD1-CG1 3.83Å; I1087-I1117 HydrophobicContact CG1-CD1 3.91Å; I1087-I1117 HydrophobicContact CG2-CD1 4.35Å; V1115-I1117 HydrophobicContact CG1-CD1 3.82Å; V1115-I1117 HydrophobicContact CG1-CG1 3.88Å; I1117-I1124 HydrophobicContact CG2-CG2 3.93Å; I1117-F1125 CarbonylContact C-O 3.56Å; I1117-F1125 WeakPolarHBondContact CA-O 3.39Å; I1117-L1126 HydrophobicContact CG1-CD1 3.68Å
1118	T	97.1	Very high	93.7	Very high	30 Å²	30	42.2 Å²	42.2	18%	0.184	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.1	173.4	-44.3	0	0	0	0	108.5	E1049 E1050 I1124 F1125	E1049-T1118 WeakPolarHBondContact O-CA 3.48Å; E1050-T1118 HydrophobicContact CB-CG2 4.41Å; T1118-I1124 CarbonylContact O-C 3.28Å; T1118-F1125 PolarHBondContact N-O 2.92Å; T1118-F1125 PolarHBondContact O-N 3.34Å
1119	R	96.2	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	172.7	-173.2	-178.2	65.9	86.9	2.6	109.5	L1046 A1047 Q1048 E1049 E1121 T1123 I1124 T1144	L1046-R1119 PolarHBondContact O-NH2 3.27Å; A1047-R1119 PolarHBondContact O-NH1 3.38Å; Q1048-R1119 WeakPolarHBondContact CA-O 3.42Å; Q1048-R1119 WeakPolarHBondContact CB-O 3.37Å; Q1048-R1119 VanDerWaalsContact CG-O 3.25Å; Q1048-R1119 WeakPolarHBondContact CG-O 3.42Å; E1049-R1119 VanDerWaalsContact CD-NE 3.32Å; E1049-R1119 PolarHBondContact N-O 3.21Å; E1049-R1119 PolarHBondContact O-N 3.45Å; E1049-R1119 VanDerWaalsContact OE1-CB 3.28Å; E1049-R1119 WeakPolarHBondContact OE1-CB 3.42Å; E1049-R1119 WeakPolarHBondContact OE1-CD 3.47Å; E1049-R1119 IonicContact OE1-CZ 3.46Å; E1049-R1119 IonicContact OE1-NE 3.5Å; E1049-R1119 PolarHBondContact OE1-NE 3.25Å; E1049-R1119 IonicContact OE1-NH2 3.62Å; E1049-R1119 IonicContact OE2-CZ 2.71Å; E1049-R1119 VanDerWaalsContact OE2-CZ 3.29Å; E1049-R1119 IonicContact OE2-NE 3.09Å; E1049-R1119 PolarHBondContact OE2-NE 2.99Å; E1049-R1119 IonicContact OE2-NH2 2.81Å; E1049-R1119 PolarHBondContact OE2-NH2 2.71Å; R1119-E1121 PolarHBondContact NH1-O 3.39Å; R1119-T1123 CarbonylContact C-O 3.39Å; R1119-T1123 WeakPolarHBondContact CA-O 3.42Å; R1119-I1124 HydrophobicContact CB-CG1 4.09Å; R1119-I1124 HydrophobicContact CG-CG1 3.73Å; R1119-T1144 PolarHBondContact NH1-O 2.77Å
1120	H	95.6	Very high	93.1	Very high	95 Å²	95	47 Å²	47	44%	0.44	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.9	166.5	-173.2	-98.8	0	0	0	107.9	Q1048 K1122 T1123	Q1048-H1120 PolarHBondContact OE1-CD2 3.42Å; H1120-K1122 PolarHBondContact O-N 2.73Å; H1120-T1123 PolarHBondContact N-O 3Å; H1120-T1123 PolarHBondContact O-N 2.79Å
1121	E	93.1	Very high	93	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-108.8	-174.1	-56.2	-175.4	148.7	0	0	112.2	A1047 R1119 T1144	A1047-E1121 PolarHBondContact O-N 3.3Å; R1119-E1121 PolarHBondContact NH1-O 3.39Å; E1121-T1144 HydrophobicContact CB-CG2 4.36Å
1122	K	93.2	Very high	93	Very high	74 Å²	74	49.9 Å²	49.9	32%	0.322	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.7	179.6	-63	-166.9	178.8	-176.6	0	114	H1120 H1137 L1138 S1140 T1144	H1120-K1122 PolarHBondContact O-N 2.73Å; K1122-H1137 CarbonylContact O-C 3.59Å; K1122-H1137 WeakPolarHBondContact O-CA 3.04Å; K1122-L1138 HydrophobicContact CB-CB 4.31Å; K1122-L1138 PolarHBondContact O-N 3.03Å; K1122-S1140 PolarHBondContact NZ-O 3.25Å; K1122-T1144 HydrophobicContact CD-CG2 4.25Å; K1122-T1144 VanDerWaalsContact CE-CG2 3.5Å; K1122-T1144 HydrophobicContact CG-CG2 3.63Å
1123	T	97	Very high	93	Very high	36 Å²	36	52 Å²	52	22%	0.221	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	-174.3	-56.2	0	0	0	0	110.2	R1119 H1120 F1125 H1137	R1119-T1123 CarbonylContact C-O 3.39Å; R1119-T1123 WeakPolarHBondContact CA-O 3.42Å; H1120-T1123 PolarHBondContact N-O 3Å; H1120-T1123 PolarHBondContact O-N 2.79Å; T1123-F1125 HydrophobicContact CG2-CD2 4.24Å; T1123-F1125 HydrophobicContact CG2-CE1 4.19Å; T1123-F1125 HydrophobicContact CG2-CE2 3.61Å; T1123-F1125 HydrophobicContact CG2-CZ 3.58Å; T1123-H1137 PolarHBondContact OG1-CD2 3.45Å; T1123-H1137 PolarHBondContact OG1-NE2 3.23Å
1124	I	96.7	Very high	93.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.6	178	-61.1	162.3	0	0	0	107.9	Y1089 I1100 I1117 T1118 R1119 S1135 Y1136 L1138	Y1089-I1124 HydrophobicContact CD2-CD1 3.57Å; Y1089-I1124 HydrophobicContact CE2-CD1 3.58Å; Y1089-I1124 HydrophobicContact CE2-CG1 4.21Å; Y1089-I1124 HydrophobicContact CE2-CG2 4.49Å; Y1089-I1124 HydrophobicContact CG-CD1 4.31Å; I1100-I1124 HydrophobicContact CD1-CB 4.41Å; I1100-I1124 HydrophobicContact CD1-CD1 3.9Å; I1100-I1124 HydrophobicContact CD1-CG2 4.14Å; I1117-I1124 HydrophobicContact CG2-CG2 3.93Å; T1118-I1124 CarbonylContact O-C 3.28Å; R1119-I1124 HydrophobicContact CB-CG1 4.09Å; R1119-I1124 HydrophobicContact CG-CG1 3.73Å; I1124-S1135 CarbonylContact O-C 3.58Å; I1124-S1135 WeakPolarHBondContact O-CA 2.99Å; I1124-Y1136 PolarHBondContact N-O 3.1Å; I1124-Y1136 PolarHBondContact O-N 2.92Å; I1124-L1138 HydrophobicContact CD1-CD2 4.02Å; I1124-L1138 HydrophobicContact CD1-CG 4.01Å
1125	F	96.9	Very high	93.3	Very high	94 Å²	94	56.3 Å²	56.3	41%	0.412	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.5	170.5	-61	-82.9	0	0	0	109.1	I1117 T1118 T1123	I1117-F1125 CarbonylContact C-O 3.56Å; I1117-F1125 WeakPolarHBondContact CA-O 3.39Å; T1118-F1125 PolarHBondContact N-O 2.92Å; T1118-F1125 PolarHBondContact O-N 3.34Å; T1123-F1125 HydrophobicContact CG2-CD2 4.24Å; T1123-F1125 HydrophobicContact CG2-CE1 4.19Å; T1123-F1125 HydrophobicContact CG2-CE2 3.61Å; T1123-F1125 HydrophobicContact CG2-CZ 3.58Å
1126	L	94.8	Very high	93.4	Very high	5 Å²	5	59 Å²	59	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.9	177.9	171.1	65.2	0	0	0	109.9	I1087 V1102 V1115 N1116 I1117 S1133 V1134 Y1136	I1087-L1126 HydrophobicContact CD1-CD1 3.71Å; I1087-L1126 HydrophobicContact CD1-CD2 3.69Å; I1087-L1126 HydrophobicContact CD1-CG 4.22Å; V1102-L1126 HydrophobicContact CB-CD2 3.92Å; V1102-L1126 HydrophobicContact CG1-CD2 3.43Å; V1102-L1126 VanDerWaalsContact CG1-CD2 3.43Å; V1102-L1126 HydrophobicContact CG1-CG 4.49Å; V1102-L1126 HydrophobicContact CG2-CD2 3.2Å; V1115-L1126 HydrophobicContact CG1-CD1 4.02Å; N1116-L1126 CarbonylContact O-C 3.58Å; N1116-L1126 WeakPolarHBondContact O-CA 3.5Å; I1117-L1126 HydrophobicContact CG1-CD1 3.68Å; L1126-S1133 CarbonylContact O-C 3.55Å; L1126-S1133 WeakPolarHBondContact O-CA 3.4Å; L1126-V1134 PolarHBondContact N-O 2.94Å; L1126-V1134 PolarHBondContact O-N 3.14Å; L1126-Y1136 HydrophobicContact CB-CD2 4.4Å; L1126-Y1136 HydrophobicContact CB-CE2 4.15Å; L1126-Y1136 HydrophobicContact CD2-CE2 4.04Å
1127	K	93.4	Very high	93.4	Very high	90 Å²	90	62.2 Å²	62.2	39%	0.391	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.9	168.4	-168.5	180	177.7	178.6	0	109.1	N1116 Y1131	N1116-K1127 HydrophobicContact CB-CB 4.23Å; N1116-K1127 PolarHBondContact N-O 2.8Å; N1116-K1127 PolarHBondContact O-N 2.81Å; K1127-Y1131 WeakPolarHBondContact CG-O 3.47Å
1128	L	91.8	Very high	93.2	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.5	174.4	-177.8	67.6	0	0	0	108.6	L1085 V1102 D1103 M1107 S1114 V1115 H1130 Y1131	L1085-L1128 HydrophobicContact CD2-CD1 4.05Å; V1102-L1128 HydrophobicContact CG1-CD2 3.97Å; D1103-L1128 HydrophobicContact CB-CD2 4.49Å; M1107-L1128 HydrophobicContact CE-CD2 3.55Å; M1107-L1128 HydrophobicContact SD-CD2 4.17Å; S1114-L1128 CarbonylContact O-C 3.56Å; S1114-L1128 WeakPolarHBondContact O-CA 3.49Å; V1115-L1128 HydrophobicContact CG2-CD1 3.8Å; L1128-H1130 PolarHBondContact O-N 2.97Å; L1128-Y1131 VanDerWaalsContact O-CB 3.31Å; L1128-Y1131 WeakPolarHBondContact O-CB 3.43Å; L1128-Y1131 VanDerWaalsContact O-CD2 3.3Å; L1128-Y1131 WeakPolarHBondContact O-CD2 3.38Å; L1128-Y1131 PolarHBondContact O-N 3.02Å
1129	D	89.8	Confident	93	Very high	34 Å²	34	63.3 Å²	63.3	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	-126.9	-177.2	-60.2	-34.9	0	0	0	112	H1113 S1114 Y1131	H1113-D1129 WeakPolarHBondContact CA-OD1 3.48Å; H1113-D1129 IonicContact CE1-OD2 3.82Å; H1113-D1129 IonicContact CG-OD2 3.92Å; H1113-D1129 IonicContact ND1-OD1 2.72Å; H1113-D1129 IonicContact ND1-OD2 3.84Å; H1113-D1129 PolarHBondContact ND1-OD2 3.22Å; S1114-D1129 PolarHBondContact N-OD1 3.31Å; S1114-D1129 PolarHBondContact O-N 2.79Å; D1129-Y1131 HydrophobicContact CB-CD2 4.39Å
1130	H	82.3	Confident	92.7	Very high	146 Å²	146	68.7 Å²	68.7	68%	0.676	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	6.5	179.3	-58.7	85	0	0	0	112.2	L1128	L1128-H1130 PolarHBondContact O-N 2.97Å
1131	Y	86.8	Confident	92.5	Very high	106 Å²	106	67.8 Å²	67.8	42%	0.416	37%	0.365	S	S	.	.	S	Bend	trans	-71.6	149.4	178.3	-64.8	-69.6	0	0	0	110.9	R1105 K1127 L1128 D1129	R1105-Y1131 PolarHBondContact NH1-OH 3.08Å; R1105-Y1131 PolarHBondContact NH2-OH 2.84Å; K1127-Y1131 WeakPolarHBondContact CG-O 3.47Å; L1128-Y1131 VanDerWaalsContact O-CB 3.31Å; L1128-Y1131 WeakPolarHBondContact O-CB 3.43Å; L1128-Y1131 VanDerWaalsContact O-CD2 3.3Å; L1128-Y1131 WeakPolarHBondContact O-CD2 3.38Å; L1128-Y1131 PolarHBondContact O-N 3.02Å; D1129-Y1131 HydrophobicContact CB-CD2 4.39Å
1132	P	88.8	Confident	92.4	Very high	107 Å²	107	63.3 Å²	63.3	70%	0.695	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-55.9	145.5	173.3	-23.6	33.5	0	0	0	111.5	V1134	P1132-V1134 PolarHBondContact O-N 3.08Å
1133	S	91	Very high	92.4	Very high	76 Å²	76	63.5 Å²	63.5	53%	0.531	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.9	128.7	176.6	-57.2	0	0	0	0	110.7	L1126	L1126-S1133 CarbonylContact O-C 3.55Å; L1126-S1133 WeakPolarHBondContact O-CA 3.4Å
1134	V	93.9	Very high	92.1	Very high	71 Å²	71	64 Å²	64	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.2	177.6	-176	0	0	0	0	109.2	L1126 P1132 Y1136	L1126-V1134 PolarHBondContact N-O 2.94Å; L1126-V1134 PolarHBondContact O-N 3.14Å; P1132-V1134 PolarHBondContact O-N 3.08Å; V1134-Y1136 HydrophobicContact CB-CE2 3.96Å; V1134-Y1136 HydrophobicContact CG1-CD2 4.35Å; V1134-Y1136 HydrophobicContact CG1-CE1 4.43Å; V1134-Y1136 HydrophobicContact CG1-CE2 3.64Å
1135	S	95.7	Very high	92	Very high	62 Å²	62	67.1 Å²	67.1	43%	0.434	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.1	177.2	62.1	0	0	0	0	111.9	I1124	I1124-S1135 CarbonylContact O-C 3.58Å; I1124-S1135 WeakPolarHBondContact O-CA 2.99Å
1136	Y	95.6	Very high	91.8	Very high	60 Å²	60	62.6 Å²	62.6	24%	0.235	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	158	171.1	-60.1	-89	0	0	0	109.7	I1100 I1124 L1126 V1134	I1100-Y1136 HydrophobicContact CD1-CD2 4.05Å; I1100-Y1136 HydrophobicContact CD1-CG 3.85Å; I1100-Y1136 HydrophobicContact CG1-CD1 4.33Å; I1100-Y1136 HydrophobicContact CG1-CG 4.16Å; I1100-Y1136 HydrophobicContact CG2-CD1 3.73Å; I1100-Y1136 HydrophobicContact CG2-CD2 3.85Å; I1100-Y1136 HydrophobicContact CG2-CE1 3.55Å; I1100-Y1136 HydrophobicContact CG2-CE2 3.66Å; I1100-Y1136 HydrophobicContact CG2-CG 3.87Å; I1100-Y1136 VanDerWaalsContact CG2-CZ 3.5Å; I1124-Y1136 PolarHBondContact N-O 3.1Å; I1124-Y1136 PolarHBondContact O-N 2.92Å; L1126-Y1136 HydrophobicContact CB-CD2 4.4Å; L1126-Y1136 HydrophobicContact CB-CE2 4.15Å; L1126-Y1136 HydrophobicContact CD2-CE2 4.04Å; V1134-Y1136 HydrophobicContact CB-CE2 3.96Å; V1134-Y1136 HydrophobicContact CG1-CD2 4.35Å; V1134-Y1136 HydrophobicContact CG1-CE1 4.43Å; V1134-Y1136 HydrophobicContact CG1-CE2 3.64Å
1137	H	94.5	Very high	91.6	Very high	109 Å²	109	64.2 Å²	64.2	51%	0.505	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128	-179	-66.6	83.4	0	0	0	110	Y1098 K1122 T1123	Y1098-H1137 PolarHBondContact OH-O 3.35Å; K1122-H1137 CarbonylContact O-C 3.59Å; K1122-H1137 WeakPolarHBondContact O-CA 3.04Å; T1123-H1137 PolarHBondContact OG1-CD2 3.45Å; T1123-H1137 PolarHBondContact OG1-NE2 3.23Å
1138	L	92.9	Very high	91.4	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.042	35%	0.346	C	S	.	.			trans	-59.7	148.2	171.4	-73.3	172.1	0	0	0	110.2	Y1089 L1091 Y1098 K1122 I1124	Y1089-L1138 HydrophobicContact CG-CD2 4.46Å; L1091-L1138 HydrophobicContact CD1-CD1 3.66Å; Y1098-L1138 HydrophobicContact CD1-CD2 3.61Å; Y1098-L1138 HydrophobicContact CE1-CD2 4.36Å; Y1098-L1138 HydrophobicContact CG-CD2 4.06Å; K1122-L1138 HydrophobicContact CB-CB 4.31Å; K1122-L1138 PolarHBondContact O-N 3.03Å; I1124-L1138 HydrophobicContact CD1-CD2 4.02Å; I1124-L1138 HydrophobicContact CD1-CG 4.01Å
1139	P	93.1	Very high	91.4	Very high	46 Å²	46	61 Å²	61	30%	0.299	35%	0.347	S	S	.	.			trans	-54.9	147.2	176.4	-24.6	33.9	0	0	0	111.7	T1094 Y1098 S1141 S1142	T1094-P1139 HydrophobicContact CG2-CB 4.2Å; T1094-P1139 HydrophobicContact CG2-CG 4.23Å; Y1098-P1139 HydrophobicContact CD2-CG 3.73Å; Y1098-P1139 HydrophobicContact CE2-CG 4.34Å; Y1098-P1139 HydrophobicContact CG-CG 4.26Å; P1139-S1141 PolarHBondContact O-N 3.18Å; P1139-S1142 VanDerWaalsContact O-CB 3.23Å; P1139-S1142 WeakPolarHBondContact O-CB 3.39Å; P1139-S1142 PolarHBondContact O-N 3.01Å
1140	S	88.9	Confident	91.5	Very high	112 Å²	112	61 Å²	61	78%	0.783	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.3	-178.8	-49.8	0	0	0	0	113.5	K1122	K1122-S1140 PolarHBondContact NZ-O 3.25Å
1141	S	91.5	Very high	92	Very high	76 Å²	76	54 Å²	54	53%	0.531	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.3	177	60.4	0	0	0	0	114.7	G1093 P1139	G1093-S1141 CarbonylContact C-O 3.5Å; G1093-S1141 VanDerWaalsContact C-O 3.24Å; G1093-S1141 WeakPolarHBondContact CA-O 3.22Å; P1139-S1141 PolarHBondContact O-N 3.18Å
1142	S	92.2	Very high	92.4	Very high	7 Å²	7	49 Å²	49	5%	0.049	29%	0.293	C	S	.	.	S	Bend	trans	-71.6	141.7	175.6	-173.7	0	0	0	0	110.3	G1092 P1139	G1092-S1142 WeakPolarHBondContact O-CA 3.42Å; P1139-S1142 VanDerWaalsContact O-CB 3.23Å; P1139-S1142 WeakPolarHBondContact O-CB 3.39Å; P1139-S1142 PolarHBondContact O-N 3.01Å
1143	D	93.6	Very high	92.7	Very high	78 Å²	78	44 Å²	44	42%	0.417	26%	0.26	S	S	.	.			trans	-66.7	160.4	165.6	-65.1	-27.9	0	0	0	110.4	L1091 G1092 G1093	L1091-D1143 WeakPolarHBondContact O-CB 3.27Å; G1092-D1143 WeakPolarHBondContact CA-OD2 3.41Å; G1092-D1143 PolarHBondContact O-N 2.79Å; G1093-D1143 PolarHBondContact N-OD2 2.99Å
1144	T	90.6	Very high	92.9	Very high	47 Å²	47	40.4 Å²	40.4	29%	0.288	24%	0.236	S	C	.	.	S	Bend	trans	-105.2	-11.5	-176.5	55.8	0	0	0	0	113.7	R1119 E1121 K1122	R1119-T1144 PolarHBondContact NH1-O 2.77Å; E1121-T1144 HydrophobicContact CB-CG2 4.36Å; K1122-T1144 HydrophobicContact CD-CG2 4.25Å; K1122-T1144 VanDerWaalsContact CE-CG2 3.5Å; K1122-T1144 HydrophobicContact CG-CG2 3.63Å
1145	L	93.5	Very high	92.6	Very high	65 Å²	65	37.1 Å²	37.1	34%	0.34	22%	0.216	S	C	.	.			trans	-102.4	132.7	-179.3	-64.2	179.6	0	0	0	109.4	D1045 A1047 N1147	D1045-L1145 HydrophobicContact CB-CB 4.31Å; D1045-L1145 HydrophobicContact CB-CD1 4.31Å; A1047-L1145 HydrophobicContact CB-CD2 3.75Å; L1145-N1147 PolarHBondContact O-N 3.06Å; L1145-N1147 PolarHBondContact O-ND2 3.12Å
1146	F	93.4	Very high	92.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-85.7	99.7	164.9	-170.4	176.8	0	0	0	107.4	D1045 L1046 I1067 D1073 L1075 L1091 S1148 P1149	D1045-F1146 WeakPolarHBondContact CA-O 3.38Å; L1046-F1146 HydrophobicContact CB-CB 4.22Å; L1046-F1146 PolarHBondContact N-O 3.06Å; L1046-F1146 PolarHBondContact O-N 3.3Å; I1067-F1146 HydrophobicContact CB-CE1 4.17Å; I1067-F1146 HydrophobicContact CB-CZ 4.15Å; I1067-F1146 HydrophobicContact CG2-CE1 3.79Å; I1067-F1146 HydrophobicContact CG2-CZ 3.74Å; D1073-F1146 HydrophobicContact CB-CD2 3.66Å; D1073-F1146 HydrophobicContact CB-CE2 3.71Å; L1075-F1146 HydrophobicContact CB-CE1 4.03Å; L1075-F1146 HydrophobicContact CB-CZ 4.41Å; L1091-F1146 HydrophobicContact CD2-CB 3.72Å; L1091-F1146 HydrophobicContact CD2-CD1 4.44Å; L1091-F1146 HydrophobicContact CD2-CD2 4.12Å; L1091-F1146 HydrophobicContact CD2-CG 3.86Å; F1146-S1148 PolarHBondContact O-N 3.28Å; F1146-P1149 HydrophobicContact CD1-CG 4.44Å; F1146-P1149 HydrophobicContact CD2-CG 4.43Å; F1146-P1149 HydrophobicContact CG-CG 4.31Å
1147	N	90.6	Very high	92.1	Very high	38 Å²	38	34 Å²	34	20%	0.203	20%	0.196	C	C	.	.			trans	-78.7	128.7	-167.3	-55.4	-71.3	0	0	0	110.8	D1045 S1069 T1071 D1073 L1145	D1045-N1147 WeakPolarHBondContact OD1-CA 3.33Å; S1069-N1147 WeakPolarHBondContact CB-O 3.28Å; T1071-N1147 HydrophobicContact CG2-CB 3.91Å; T1071-N1147 PolarHBondContact OG1-O 3.42Å; D1073-N1147 VanDerWaalsContact OD2-CB 3.3Å; D1073-N1147 WeakPolarHBondContact OD2-CB 3.31Å; D1073-N1147 PolarHBondContact OD2-N 3.46Å; D1073-N1147 PolarHBondContact OD2-ND2 3.19Å; L1145-N1147 PolarHBondContact O-N 3.06Å; L1145-N1147 PolarHBondContact O-ND2 3.12Å
1148	S	89.6	Confident	91.6	Very high	21 Å²	21	32.8 Å²	32.8	15%	0.147	19%	0.192	C	C	.	.	S	Bend	trans	47.9	60.4	171	-52.7	0	0	0	0	116.1	H1043 D1045 S1069 F1070 F1146 K1150	H1043-S1148 VanDerWaalsContact CB-CB 3.46Å; H1043-S1148 WeakPolarHBondContact CB-OG 3.41Å; D1045-S1148 PolarHBondContact OD1-N 3.48Å; S1069-S1148 CarbonylContact C-O 3.55Å; S1069-S1148 VanDerWaalsContact CA-O 3.26Å; S1069-S1148 WeakPolarHBondContact CA-O 3.38Å; S1069-S1148 WeakPolarHBondContact CB-O 3.44Å; F1070-S1148 WeakPolarHBondContact CD2-O 3.31Å; F1070-S1148 PolarHBondContact N-O 3.24Å; F1146-S1148 PolarHBondContact O-N 3.28Å; S1148-K1150 PolarHBondContact O-N 3.1Å
1149	P	91.7	Very high	91	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	134.5	175.6	-22.5	33.3	0	0	0	112	F1019 P1044 L1046 F1146	F1019-P1149 HydrophobicContact CD2-CB 3.87Å; F1019-P1149 HydrophobicContact CE2-CB 3.91Å; P1044-P1149 WeakPolarHBondContact O-CD 3.28Å; L1046-P1149 HydrophobicContact CD1-CG 3.71Å; L1046-P1149 HydrophobicContact CG-CG 4.02Å; F1146-P1149 HydrophobicContact CD1-CG 4.44Å; F1146-P1149 HydrophobicContact CD2-CG 4.43Å; F1146-P1149 HydrophobicContact CG-CG 4.31Å
1150	K	91.4	Very high	89.9	Confident	33 Å²	33	36.5 Å²	36.5	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-54.5	-171.3	175.1	-172.5	176.4	-169.2	0	112.1	F1019 S1068 F1070 S1148 E1159	F1019-K1150 PolarHBondContact N-O 3.06Å; F1019-K1150 VanDerWaalsContact N-O 3.16Å; S1068-K1150 PolarHBondContact O-N 2.03Å; F1070-K1150 HydrophobicContact CD1-CB 4.37Å; F1070-K1150 HydrophobicContact CD1-CD 3.93Å; F1070-K1150 HydrophobicContact CD1-CG 4.11Å; F1070-K1150 HydrophobicContact CD2-CB 3.86Å; F1070-K1150 HydrophobicContact CD2-CG 4.31Å; F1070-K1150 HydrophobicContact CE1-CB 4.33Å; F1070-K1150 HydrophobicContact CE1-CD 3.84Å; F1070-K1150 HydrophobicContact CE1-CG 3.73Å; F1070-K1150 HydrophobicContact CE2-CB 3.79Å; F1070-K1150 HydrophobicContact CE2-CG 3.94Å; F1070-K1150 HydrophobicContact CG-CB 4.16Å; F1070-K1150 HydrophobicContact CG-CD 4.46Å; F1070-K1150 HydrophobicContact CG-CG 4.4Å; F1070-K1150 HydrophobicContact CZ-CB 4.05Å; F1070-K1150 HydrophobicContact CZ-CD 4.29Å; F1070-K1150 HydrophobicContact CZ-CG 3.65Å; S1148-K1150 PolarHBondContact O-N 3.1Å; K1150-E1159 IonicContact NZ-OE1 3.9Å; K1150-E1159 PolarHBondContact NZ-OE1 2.97Å; K1150-E1159 IonicContact NZ-OE2 2.68Å
1151	S	93.2	Very high	89.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.6	-173.4	-62.2	0	0	0	0	112.8	R1016 Y1017 N1018 I1067 S1068	R1016-S1151 PolarHBondContact NE-OG 3.21Å; R1016-S1151 VanDerWaalsContact NE-OG 3.1Å; R1016-S1151 PolarHBondContact NH2-OG 2.86Å; R1016-S1151 VanDerWaalsContact NH2-OG 3.14Å; Y1017-S1151 CarbonylContact O-C 3.43Å; Y1017-S1151 WeakPolarHBondContact O-CA 3.32Å; N1018-S1151 PolarHBondContact OD1-OG 3.25Å; I1067-S1151 CarbonylContact C-O 3.54Å; I1067-S1151 WeakPolarHBondContact CA-O 3.4Å; S1068-S1151 PolarHBondContact N-O 3.43Å; S1068-S1151 PolarHBondContact O-N 2.83Å; S1068-S1151 PolarHBondContact OG-N 2.59Å; S1068-S1151 PolarHBondContact OG-O 2.89Å
1152	L	94.9	Very high	88.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.8	172	178.8	159.6	0	0	0	109.2	R1016 Y1017 F1019 L1065 Y1066 I1067 L1154 F1184 P1189	R1016-L1152 CarbonylContact C-O 3.56Å; R1016-L1152 VanDerWaalsContact CA-O 3.29Å; R1016-L1152 WeakPolarHBondContact CA-O 3.39Å; Y1017-L1152 PolarHBondContact N-O 2.92Å; Y1017-L1152 PolarHBondContact O-N 3.25Å; F1019-L1152 HydrophobicContact CE2-CB 4.47Å; F1019-L1152 HydrophobicContact CZ-CB 3.95Å; L1065-L1152 HydrophobicContact CD1-CD1 4.14Å; L1065-L1152 HydrophobicContact CD1-CG 4.49Å; L1065-L1152 HydrophobicContact CG-CG 4.44Å; Y1066-L1152 CarbonylContact O-C 3.28Å; Y1066-L1152 WeakPolarHBondContact O-CA 3.32Å; I1067-L1152 HydrophobicContact CD1-CD1 4.12Å; I1067-L1152 HydrophobicContact CG1-CB 4.24Å; I1067-L1152 HydrophobicContact CG1-CD1 4.18Å; I1067-L1152 HydrophobicContact CG1-CG 4.09Å; L1152-L1154 HydrophobicContact CD2-CD1 4.41Å; L1152-L1154 HydrophobicContact CD2-CD2 3.81Å; L1152-L1154 HydrophobicContact CD2-CG 3.8Å; L1152-F1184 HydrophobicContact CD1-CB 3.8Å; L1152-F1184 HydrophobicContact CD1-CG 4.26Å; L1152-P1189 HydrophobicContact CD1-CG 4.03Å; L1152-P1189 HydrophobicContact CD2-CB 4.2Å; L1152-P1189 HydrophobicContact CD2-CG 3.85Å
1153	F	95.1	Very high	87.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.4	179.7	-65.5	-96.5	0	0	0	111.4	L1015 R1016 L1065 Y1066 V1157 I1158 E1159	L1015-F1153 CarbonylContact O-C 3.51Å; L1015-F1153 VanDerWaalsContact O-CA 3.26Å; L1015-F1153 WeakPolarHBondContact O-CA 3.4Å; R1016-F1153 HydrophobicContact CB-CD1 3.89Å; R1016-F1153 HydrophobicContact CB-CE1 3.78Å; R1016-F1153 HydrophobicContact CB-CZ 4.45Å; R1016-F1153 HydrophobicContact CG-CD1 3.99Å; R1016-F1153 HydrophobicContact CG-CE1 3.55Å; R1016-F1153 HydrophobicContact CG-CE2 4.29Å; R1016-F1153 HydrophobicContact CG-CZ 3.72Å; L1065-F1153 WeakPolarHBondContact CA-O 3.24Å; Y1066-F1153 AromaticContact CD1-CD2 3.9Å; Y1066-F1153 HydrophobicContact CD1-CD2 3.9Å; Y1066-F1153 PolarHBondContact N-O 2.61Å; Y1066-F1153 PolarHBondContact O-N 2.83Å; F1153-V1157 HydrophobicContact CB-CG2 4.23Å; F1153-V1157 HydrophobicContact CD2-CG1 4.36Å; F1153-V1157 HydrophobicContact CG-CG1 4.31Å; F1153-I1158 VanDerWaalsContact CE1-O 3.28Å; F1153-I1158 WeakPolarHBondContact CE1-O 3.42Å; F1153-I1158 WeakPolarHBondContact CZ-O 3.24Å; F1153-E1159 HydrophobicContact CE2-CB 4.15Å; F1153-E1159 VanDerWaalsContact CE2-OE2 3.28Å; F1153-E1159 WeakPolarHBondContact CE2-OE2 3.34Å; F1153-E1159 HydrophobicContact CZ-CB 4.1Å
1154	L	94.5	Very high	87.3	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.6	171.1	-53.9	175.6	0	0	0	109.2	F1009 W1014 L1015 L1064 L1065 L1152 K1156 L1179 V1182 L1190	F1009-L1154 HydrophobicContact CE1-CB 4.06Å; F1009-L1154 HydrophobicContact CZ-CB 3.88Å; F1009-L1154 HydrophobicContact CZ-CD1 4.45Å; W1014-L1154 VanDerWaalsContact CA-O 3.28Å; W1014-L1154 WeakPolarHBondContact CA-O 3.4Å; L1015-L1154 HydrophobicContact CB-CB 4.34Å; L1015-L1154 HydrophobicContact CD2-CD1 4.21Å; L1015-L1154 HydrophobicContact CD2-CG 4.49Å; L1015-L1154 PolarHBondContact N-O 3.41Å; L1015-L1154 PolarHBondContact O-N 3.16Å; L1064-L1154 WeakPolarHBondContact O-CD2 3.36Å; L1065-L1154 HydrophobicContact CB-CD2 4.12Å; L1065-L1154 HydrophobicContact CD1-CD2 4.18Å; L1065-L1154 HydrophobicContact CG-CD2 4.21Å; L1152-L1154 HydrophobicContact CD2-CD1 4.41Å; L1152-L1154 HydrophobicContact CD2-CD2 3.81Å; L1152-L1154 HydrophobicContact CD2-CG 3.8Å; L1154-K1156 PolarHBondContact O-N 3.39Å; L1154-L1179 HydrophobicContact CB-CD1 3.93Å; L1154-L1179 HydrophobicContact CD1-CD1 4.49Å; L1154-L1179 HydrophobicContact CD2-CD1 4.22Å; L1154-L1179 HydrophobicContact CG-CD1 4.44Å; L1154-V1182 HydrophobicContact CD1-CB 4.36Å; L1154-V1182 HydrophobicContact CD1-CG1 3.99Å; L1154-V1182 HydrophobicContact CD1-CG2 4.21Å; L1154-V1182 HydrophobicContact CD2-CG1 3.99Å; L1154-L1190 HydrophobicContact CD1-CD1 4.4Å; L1154-L1190 HydrophobicContact CD1-CD2 3.87Å; L1154-L1190 HydrophobicContact CD1-CG 3.73Å
1155	G	88.9	Confident	87.1	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	85.1	-88.3	-178.8	0	0	0	0	0	112	F1175	G1155-F1175 PolarHBondContact O-N 3.48Å
1156	K	89.7	Confident	86.6	Confident	53 Å²	53	44.9 Å²	44.9	23%	0.23	24%	0.239	C	C	.	.	S	Bend	trans	-124.7	139.3	178.2	-172.5	176.8	-175.4	173.6	0	110.5	M1013 W1014 L1154 N1171	M1013-K1156 PolarHBondContact O-N 3.34Å; M1013-K1156 VanDerWaalsContact O-N 3.17Å; W1014-K1156 HydrophobicContact CB-CB 3.95Å; W1014-K1156 WeakPolarHBondContact CB-O 3.38Å; L1154-K1156 PolarHBondContact O-N 3.39Å; K1156-N1171 WeakPolarHBondContact CG-OD1 3.28Å
1157	V	89.6	Confident	86.4	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.239	C	C	.	.			trans	-88.2	118.5	179.9	-176.4	0	0	0	0	109.4	I1063 Y1066 F1153 E1159 I1163 I1167 N1171	I1063-V1157 HydrophobicContact CD1-CG2 3.93Å; I1063-V1157 HydrophobicContact CG2-CG2 4.06Å; Y1066-V1157 HydrophobicContact CD1-CB 4.37Å; Y1066-V1157 HydrophobicContact CD1-CG1 3.4Å; Y1066-V1157 VanDerWaalsContact CD1-CG1 3.4Å; Y1066-V1157 HydrophobicContact CD1-CG2 4.01Å; Y1066-V1157 HydrophobicContact CE1-CG1 3.71Å; Y1066-V1157 HydrophobicContact CG-CG1 4.06Å; Y1066-V1157 HydrophobicContact CG-CG2 3.84Å; F1153-V1157 HydrophobicContact CB-CG2 4.23Å; F1153-V1157 HydrophobicContact CD2-CG1 4.36Å; F1153-V1157 HydrophobicContact CG-CG1 4.31Å; V1157-E1159 HydrophobicContact CG1-CB 4.12Å; V1157-I1163 HydrophobicContact CG1-CD1 4.45Å; V1157-I1167 HydrophobicContact CG2-CG2 4.5Å; V1157-N1171 PolarHBondContact N-OD1 3.34Å; V1157-N1171 PolarHBondContact O-ND2 2.97Å
1158	I	84.8	Confident	86.2	Confident	82 Å²	82	49.3 Å²	49.3	42%	0.421	26%	0.258	S	S	.	.			trans	-121.5	74	171.7	-50	-160.9	0	0	0	108.5	W1014 F1153	W1014-I1158 HydrophobicContact CD2-CD1 4.24Å; W1014-I1158 HydrophobicContact CD2-CG1 4.29Å; W1014-I1158 HydrophobicContact CG-CD1 4.21Å; W1014-I1158 HydrophobicContact CG-CG1 4.22Å; W1014-I1158 HydrophobicContact CZ2-CD1 4.17Å; F1153-I1158 VanDerWaalsContact CE1-O 3.28Å; F1153-I1158 WeakPolarHBondContact CE1-O 3.42Å; F1153-I1158 WeakPolarHBondContact CZ-O 3.24Å
1159	E	80.3	Confident	86.1	Confident	24 Å²	24	54.1 Å²	54.1	11%	0.112	28%	0.276	C	S	.	.			trans	-99.5	140.6	177.6	-174.5	56.2	-96.8	0	0	110.8	S1068 K1150 F1153 V1157 I1163	S1068-E1159 WeakPolarHBondContact CB-OE2 3.25Å; S1068-E1159 PolarHBondContact OG-OE2 2.76Å; K1150-E1159 IonicContact NZ-OE1 3.9Å; K1150-E1159 PolarHBondContact NZ-OE1 2.97Å; K1150-E1159 IonicContact NZ-OE2 2.68Å; F1153-E1159 HydrophobicContact CE2-CB 4.15Å; F1153-E1159 VanDerWaalsContact CE2-OE2 3.28Å; F1153-E1159 WeakPolarHBondContact CE2-OE2 3.34Å; F1153-E1159 HydrophobicContact CZ-CB 4.1Å; V1157-E1159 HydrophobicContact CG1-CB 4.12Å; E1159-I1163 HydrophobicContact CB-CD1 3.96Å; E1159-I1163 HydrophobicContact CB-CG1 4.29Å
1160	T	69.3	Low	85.9	Confident	109 Å²	109	54.2 Å²	54.2	67%	0.669	28%	0.275	S	S	*	.	S	Bend	trans	-92.9	104.5	173.6	55	0	0	0	0	108.4
1161	G	73.2	Confident	85.8	Confident	62 Å²	62	53.3 Å²	53.3	64%	0.639	27%	0.272	S	S	*	.	S	Bend	trans	155.9	-169.5	-179.2	0	0	0	0	0	113.4	I1163	G1161-I1163 PolarHBondContact O-N 3.06Å
1162	K	74	Confident	85.3	Confident	205 Å²	205	58.2 Å²	58.2	89%	0.891	30%	0.302	S	S	*	.			trans	-72.9	112.8	169.6	-100.6	-173.2	175.1	-178.2	0	109
1163	I	80.4	Confident	84.7	Confident	44 Å²	44	60.8 Å²	60.8	23%	0.226	32%	0.319	C	S	.	.			trans	-101.3	141.3	171.5	-58.1	175	0	0	0	108.2	V1157 E1159 G1161 I1167	V1157-I1163 HydrophobicContact CG1-CD1 4.45Å; E1159-I1163 HydrophobicContact CB-CD1 3.96Å; E1159-I1163 HydrophobicContact CB-CG1 4.29Å; G1161-I1163 PolarHBondContact O-N 3.06Å; I1163-I1167 HydrophobicContact CG2-CB 3.77Å; I1163-I1167 HydrophobicContact CG2-CG2 3.58Å
1164	D	84.3	Confident	84.1	Confident	34 Å²	34	60.9 Å²	60.9	18%	0.182	32%	0.32	C	S	.	.			trans	-56.3	143.1	173.7	175.9	-93.6	0	0	0	111.9	F1074 R1088 E1166 I1167 H1168	F1074-D1164 HydrophobicContact CE1-CB 3.83Å; F1074-D1164 HydrophobicContact CE2-CB 4.37Å; F1074-D1164 HydrophobicContact CZ-CB 3.56Å; R1088-D1164 IonicContact CZ-OD1 3.35Å; R1088-D1164 IonicContact NE-OD1 3.66Å; R1088-D1164 IonicContact NH2-OD1 2.75Å; R1088-D1164 PolarHBondContact NH2-OD1 2.92Å; R1088-D1164 IonicContact NH2-OD2 3.32Å; D1164-E1166 VanDerWaalsContact C-N 3.33Å; D1164-E1166 PolarHBondContact O-N 2.85Å; D1164-E1166 WeakPolarHBondContact OD1-CB 3.23Å; D1164-E1166 PolarHBondContact OD1-N 3.28Å; D1164-I1167 HydrophobicContact CB-CB 4.36Å; D1164-I1167 HydrophobicContact CB-CG1 3.94Å; D1164-I1167 WeakPolarHBondContact O-CB 3.19Å; D1164-I1167 PolarHBondContact O-N 3.27Å; D1164-I1167 PolarHBondContact OD1-N 3.47Å; D1164-H1168 PolarHBondContact O-N 2.94Å
1165	Q	85.8	Confident	84	Confident	168 Å²	168	60.8 Å²	60.8	79%	0.785	32%	0.32	S	S	*	.	H	α-helix	trans	-63.9	-35.2	-171.9	-172.7	175.8	1.1	0	0	113	H1168 K1169	Q1165-H1168 PolarHBondContact O-N 3.29Å; Q1165-K1169 VanDerWaalsContact O-CB 3.32Å; Q1165-K1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-K1169 PolarHBondContact O-N 3.09Å
1166	E	84.2	Confident	84.1	Confident	48 Å²	48	61.6 Å²	61.6	22%	0.224	32%	0.324	C	S	.	.	H	α-helix	trans	-73.8	-36.2	178	-78.1	-84.9	121.7	0	0	111.2	R1088 D1164 K1169 Y1170	R1088-E1166 IonicContact NH1-OE2 2.82Å; D1164-E1166 VanDerWaalsContact C-N 3.33Å; D1164-E1166 PolarHBondContact O-N 2.85Å; D1164-E1166 WeakPolarHBondContact OD1-CB 3.23Å; D1164-E1166 PolarHBondContact OD1-N 3.28Å; E1166-K1169 PolarHBondContact O-N 3.47Å; E1166-K1169 WeakPolarHBondContact OE1-CD 3.17Å; E1166-K1169 IonicContact OE1-NZ 3.32Å; E1166-K1169 PolarHBondContact OE1-NZ 2.96Å; E1166-Y1170 HydrophobicContact CB-CE2 4.35Å; E1166-Y1170 WeakPolarHBondContact O-CD2 3.13Å; E1166-Y1170 PolarHBondContact O-N 3.45Å; E1166-Y1170 PolarHBondContact OE1-OH 2.85Å; E1166-Y1170 WeakPolarHBondContact OE2-CE2 3.49Å; E1166-Y1170 PolarHBondContact OE2-OH 3.03Å
1167	I	88.3	Confident	84.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-50.4	171	-57.6	-55.4	0	0	0	109.5	I1063 Y1066 F1074 A1076 L1078 V1157 I1163 D1164 K1169 Y1170 N1171	I1063-I1167 HydrophobicContact CD1-CG2 3.71Å; I1063-I1167 WeakPolarHBondContact CD1-O 3.28Å; Y1066-I1167 HydrophobicContact CD2-CG1 4.46Å; Y1066-I1167 HydrophobicContact CD2-CG2 4.07Å; Y1066-I1167 HydrophobicContact CE2-CG1 4.23Å; Y1066-I1167 HydrophobicContact CE2-CG2 4.07Å; F1074-I1167 HydrophobicContact CE2-CG1 4.33Å; A1076-I1167 HydrophobicContact CB-CD1 3.39Å; A1076-I1167 HydrophobicContact CB-CG1 4.34Å; L1078-I1167 HydrophobicContact CD2-CD1 3.63Å; V1157-I1167 HydrophobicContact CG2-CG2 4.5Å; I1163-I1167 HydrophobicContact CG2-CB 3.77Å; I1163-I1167 HydrophobicContact CG2-CG2 3.58Å; D1164-I1167 HydrophobicContact CB-CB 4.36Å; D1164-I1167 HydrophobicContact CB-CG1 3.94Å; D1164-I1167 WeakPolarHBondContact O-CB 3.19Å; D1164-I1167 PolarHBondContact O-N 3.27Å; D1164-I1167 PolarHBondContact OD1-N 3.47Å; I1167-K1169 VanDerWaalsContact C-N 3.26Å; I1167-K1169 PolarHBondContact O-N 3.08Å; I1167-Y1170 PolarHBondContact O-N 3.5Å; I1167-N1171 VanDerWaalsContact O-CB 3.26Å; I1167-N1171 WeakPolarHBondContact O-CB 3.14Å; I1167-N1171 PolarHBondContact O-N 3.04Å
1168	H	87.2	Confident	84.4	Confident	130 Å²	130	59.2 Å²	59.2	60%	0.602	32%	0.315	S	S	*	.	H	α-helix	trans	-57.7	-39.1	177.4	-172.6	-79.1	0	0	0	112.6	D1164 Q1165	D1164-H1168 PolarHBondContact O-N 2.94Å; Q1165-H1168 PolarHBondContact O-N 3.29Å
1169	K	87.3	Confident	84.9	Confident	123 Å²	123	55.3 Å²	55.3	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-39	178.8	-179	-176.1	170.8	-166.9	0	113.3	Q1165 E1166 I1167	Q1165-K1169 VanDerWaalsContact O-CB 3.32Å; Q1165-K1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-K1169 PolarHBondContact O-N 3.09Å; E1166-K1169 PolarHBondContact O-N 3.47Å; E1166-K1169 WeakPolarHBondContact OE1-CD 3.17Å; E1166-K1169 IonicContact OE1-NZ 3.32Å; E1166-K1169 PolarHBondContact OE1-NZ 2.96Å; I1167-K1169 VanDerWaalsContact C-N 3.26Å; I1167-K1169 PolarHBondContact O-N 3.08Å
1170	Y	88.3	Confident	85.5	Confident	14 Å²	14	54.2 Å²	54.2	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-92.3	0.3	-179.2	-56.9	-33.7	0	0	0	114.1	P1061 L1078 P1081 E1166 I1167 T1172	P1061-Y1170 HydrophobicContact CB-CD1 3.41Å; P1061-Y1170 VanDerWaalsContact CB-CD1 3.41Å; P1061-Y1170 HydrophobicContact CB-CD2 4.49Å; P1061-Y1170 HydrophobicContact CB-CE1 3.91Å; P1061-Y1170 HydrophobicContact CB-CG 3.75Å; P1061-Y1170 HydrophobicContact CG-CD1 3.44Å; P1061-Y1170 VanDerWaalsContact CG-CD1 3.44Å; P1061-Y1170 HydrophobicContact CG-CE1 3.97Å; P1061-Y1170 HydrophobicContact CG-CG 4.21Å; L1078-Y1170 HydrophobicContact CD1-CD2 3.83Å; L1078-Y1170 HydrophobicContact CD1-CE2 4.04Å; L1078-Y1170 HydrophobicContact CD2-CD2 4.05Å; P1081-Y1170 HydrophobicContact CG-CE1 3.82Å; E1166-Y1170 HydrophobicContact CB-CE2 4.35Å; E1166-Y1170 WeakPolarHBondContact O-CD2 3.13Å; E1166-Y1170 PolarHBondContact O-N 3.45Å; E1166-Y1170 PolarHBondContact OE1-OH 2.85Å; E1166-Y1170 WeakPolarHBondContact OE2-CE2 3.49Å; E1166-Y1170 PolarHBondContact OE2-OH 3.03Å; I1167-Y1170 PolarHBondContact O-N 3.5Å; Y1170-T1172 VanDerWaalsContact C-N 3.31Å; Y1170-T1172 PolarHBondContact O-N 2.89Å
1171	N	88.2	Confident	86.5	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.08	27%	0.265	C	S	.	.			trans	-80.2	-5.1	-179	-163.3	38.5	0	0	0	114.7	I1063 K1156 V1157 I1167 G1174	I1063-N1171 HydrophobicContact CD1-CB 3.81Å; K1156-N1171 WeakPolarHBondContact CG-OD1 3.28Å; V1157-N1171 PolarHBondContact N-OD1 3.34Å; V1157-N1171 PolarHBondContact O-ND2 2.97Å; I1167-N1171 VanDerWaalsContact O-CB 3.26Å; I1167-N1171 WeakPolarHBondContact O-CB 3.14Å; I1167-N1171 PolarHBondContact O-N 3.04Å; N1171-G1174 PolarHBondContact O-N 3.41Å
1172	T	83.8	Confident	87.5	Confident	102 Å²	102	47.8 Å²	47.8	63%	0.626	23%	0.234	S	C	*	.	S	Bend	trans	-126.5	123.7	178.4	-56.2	0	0	0	0	109.6	Y1170	Y1170-T1172 VanDerWaalsContact C-N 3.31Å; Y1170-T1172 PolarHBondContact O-N 2.89Å
1173	P	80.6	Confident	88.4	Confident	55 Å²	55	39 Å²	39	36%	0.357	20%	0.196	S	C	.	.	S	Bend	cis	-77.3	-13.4	9.3	31.2	-35.2	0	0	0	115.1	E1011 G1012	E1011-P1173 HydrophobicContact CB-CB 4.34Å; E1011-P1173 HydrophobicContact CG-CB 4.15Å; E1011-P1173 HydrophobicContact CG-CG 4.31Å; G1012-P1173 PolarHBondContact N-O 3.36Å
1174	G	83.9	Confident	89.1	Confident	3 Å²	3	37 Å²	37	3%	0.031	19%	0.186	C	C	.	.			trans	111.6	-179	-171	0	0	0	0	0	111	N1171	N1171-G1174 PolarHBondContact O-N 3.41Å
1175	F	91.6	Very high	89.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.			trans	-75	135.1	175.8	166.4	-96.6	0	0	0	112.1	F1009 T1057 C1062 I1063 L1064 G1155 G1177 C1178 L1179	F1009-F1175 HydrophobicContact CB-CD1 3.71Å; F1009-F1175 HydrophobicContact CB-CE1 3.91Å; F1009-F1175 HydrophobicContact CD2-CD1 4.29Å; F1009-F1175 HydrophobicContact CD2-CE1 4.03Å; F1009-F1175 AromaticContact CG-CD1 3.99Å; F1009-F1175 HydrophobicContact CG-CD1 3.99Å; F1009-F1175 HydrophobicContact CG-CE1 4.15Å; T1057-F1175 HydrophobicContact CG2-CE2 4.21Å; C1062-F1175 HydrophobicContact CB-CB 4.1Å; C1062-F1175 HydrophobicContact CB-CD2 4.37Å; I1063-F1175 VanDerWaalsContact O-CB 3.25Å; I1063-F1175 WeakPolarHBondContact O-CB 3.46Å; L1064-F1175 HydrophobicContact CD2-CD2 3.35Å; L1064-F1175 HydrophobicContact CD2-CE2 3.37Å; L1064-F1175 HydrophobicContact CD2-CG 4.26Å; L1064-F1175 HydrophobicContact CD2-CZ 4.31Å; G1155-F1175 PolarHBondContact O-N 3.48Å; F1175-G1177 WeakPolarHBondContact CE1-O 3.41Å; F1175-G1177 VanDerWaalsContact CZ-C 3.46Å; F1175-C1178 WeakPolarHBondContact CZ-O 3.29Å; F1175-L1179 HydrophobicContact CD1-CD1 4.08Å; F1175-L1179 HydrophobicContact CD1-CG 4.27Å; F1175-L1179 HydrophobicContact CE1-CD1 3.89Å; F1175-L1179 HydrophobicContact CE1-CD2 4.4Å; F1175-L1179 HydrophobicContact CE1-CG 3.59Å; F1175-L1179 HydrophobicContact CZ-CD2 4.27Å; F1175-L1179 HydrophobicContact CZ-CG 3.88Å
1176	T	91.8	Very high	89.4	Confident	19 Å²	19	36.6 Å²	36.6	12%	0.117	19%	0.185	C	C	.	.			trans	-123.1	127.4	167.9	-53	0	0	0	0	108	F1009 E1011 T1057 K1059	F1009-T1176 VanDerWaalsContact O-CA 3.27Å; F1009-T1176 WeakPolarHBondContact O-CA 3.19Å; E1011-T1176 WeakPolarHBondContact CG-OG1 3.38Å; T1057-T1176 WeakPolarHBondContact CB-O 3.35Å; T1057-T1176 PolarHBondContact OG1-O 2.85Å; K1059-T1176 HydrophobicContact CD-CG2 4.45Å; K1059-T1176 PolarHBondContact NZ-OG1 3.28Å
1177	G	92.8	Very high	89.6	Confident	7 Å²	7	36.5 Å²	36.5	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-167.7	-177.8	0	0	0	0	0	111.7	F1009 S1056 F1175	F1009-G1177 PolarHBondContact N-O 3.13Å; F1009-G1177 PolarHBondContact O-N 2.75Å; S1056-G1177 CarbonylContact O-C 3.55Å; S1056-G1177 VanDerWaalsContact O-CA 3.22Å; S1056-G1177 WeakPolarHBondContact O-CA 3.46Å; F1175-G1177 WeakPolarHBondContact CE1-O 3.41Å; F1175-G1177 VanDerWaalsContact CZ-C 3.46Å
1178	C	93.3	Very high	89.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.1	175.9	-74.4	0	0	0	0	111	A1007 F1055 S1056 F1175 S1212 C1214	A1007-C1178 WeakPolarHBondContact O-CA 3.42Å; F1055-C1178 CarbonylContact C-O 3.54Å; F1055-C1178 WeakPolarHBondContact CA-O 3.41Å; S1056-C1178 PolarHBondContact N-O 2.91Å; S1056-C1178 PolarHBondContact O-N 3.37Å; F1175-C1178 WeakPolarHBondContact CZ-O 3.29Å; C1178-S1212 PolarHBondContact SG-OG 2.93Å; C1178-C1214 HydrophobicContact CB-CB 4.17Å; C1178-C1214 WeakPolarHBondContact CB-SG 3.42Å; C1178-C1214 WeakPolarHBondContact SG-CB 3.31Å; C1178-C1214 CovalentContact SG-SG 2.03Å; C1178-C1214 PolarHBondContact SG-SG 3.44Å
1179	L	94.5	Very high	90.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.2	160.8	-73.1	165.7	0	0	0	108.4	G1006 A1007 F1009 F1053 S1054 F1055 L1154 F1175 V1182 L1190	G1006-L1179 CarbonylContact C-O 3.59Å; G1006-L1179 WeakPolarHBondContact CA-O 3.28Å; A1007-L1179 PolarHBondContact N-O 3.12Å; A1007-L1179 PolarHBondContact O-N 3.11Å; F1009-L1179 HydrophobicContact CD2-CB 4.4Å; F1009-L1179 HydrophobicContact CD2-CD1 4.11Å; F1009-L1179 HydrophobicContact CD2-CG 4.44Å; F1009-L1179 HydrophobicContact CE2-CB 4.01Å; F1009-L1179 HydrophobicContact CE2-CD1 3.78Å; F1009-L1179 HydrophobicContact CE2-CG 4.29Å; F1009-L1179 HydrophobicContact CZ-CD1 4.13Å; F1053-L1179 HydrophobicContact CD2-CD2 4.01Å; F1053-L1179 HydrophobicContact CE2-CD2 4.39Å; S1054-L1179 CarbonylContact O-C 3.49Å; S1054-L1179 WeakPolarHBondContact O-CA 3.45Å; F1055-L1179 HydrophobicContact CB-CD2 3.75Å; L1154-L1179 HydrophobicContact CB-CD1 3.93Å; L1154-L1179 HydrophobicContact CD1-CD1 4.49Å; L1154-L1179 HydrophobicContact CD2-CD1 4.22Å; L1154-L1179 HydrophobicContact CG-CD1 4.44Å; F1175-L1179 HydrophobicContact CD1-CD1 4.08Å; F1175-L1179 HydrophobicContact CD1-CG 4.27Å; F1175-L1179 HydrophobicContact CE1-CD1 3.89Å; F1175-L1179 HydrophobicContact CE1-CD2 4.4Å; F1175-L1179 HydrophobicContact CE1-CG 3.59Å; F1175-L1179 HydrophobicContact CZ-CD2 4.27Å; F1175-L1179 HydrophobicContact CZ-CG 3.88Å; L1179-V1182 HydrophobicContact CB-CG2 4.05Å; L1179-L1190 HydrophobicContact CB-CD1 3.92Å; L1179-L1190 WeakPolarHBondContact O-CD1 3.41Å
1180	S	92.6	Very high	90.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.2	-179	-37.2	0	0	0	0	109.8	V1005 F1053 S1054 V1182 G1215 A1216	V1005-S1180 CarbonylContact O-C 3.57Å; V1005-S1180 WeakPolarHBondContact O-CA 3.47Å; F1053-S1180 CarbonylContact C-O 3.55Å; F1053-S1180 WeakPolarHBondContact CA-O 3.39Å; S1054-S1180 PolarHBondContact N-O 3.17Å; S1054-S1180 PolarHBondContact O-N 3.13Å; S1054-S1180 WeakPolarHBondContact OG-CB 3.22Å; S1180-V1182 PolarHBondContact O-N 3.39Å; S1180-V1182 VanDerWaalsContact O-N 3.1Å; S1180-G1215 WeakPolarHBondContact OG-CA 3.18Å; S1180-A1216 PolarHBondContact OG-N 3.02Å
1181	R	90.7	Very high	90.4	Very high	36 Å²	36	25.4 Å²	25.4	14%	0.136	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	29.5	176.7	-55.9	177.9	-82.9	-142.7	16.1	114.2	Y996 D1004 V1005 R1052 F1053 S1054 S1114 Q1183	Y996-R1181 HydrophobicContact CE1-CG 3.83Å; Y996-R1181 WeakPolarHBondContact OH-CD 3.3Å; D1004-R1181 HydrophobicContact CB-CG 3.8Å; D1004-R1181 WeakPolarHBondContact OD1-CD 3.29Å; D1004-R1181 IonicContact OD1-NH1 2.66Å; D1004-R1181 WeakPolarHBondContact OD2-CD 3.38Å; D1004-R1181 WeakPolarHBondContact OD2-CG 3.14Å; D1004-R1181 IonicContact OD2-CZ 3.59Å; D1004-R1181 IonicContact OD2-NE 3.2Å; D1004-R1181 PolarHBondContact OD2-NE 3.31Å; D1004-R1181 IonicContact OD2-NH1 2.77Å; D1004-R1181 PolarHBondContact OD2-NH1 2.75Å; V1005-R1181 PolarHBondContact O-N 3.43Å; R1052-R1181 CarbonylContact C-O 3.59Å; F1053-R1181 WeakPolarHBondContact CA-O 3.46Å; S1054-R1181 VanDerWaalsContact CB-NH2 3.33Å; S1054-R1181 PolarHBondContact OG-NE 2.95Å; S1054-R1181 VanDerWaalsContact OG-NE 3.09Å; S1054-R1181 PolarHBondContact OG-NH2 2.84Å; S1114-R1181 PolarHBondContact OG-NH2 3.2Å; R1181-Q1183 PolarHBondContact O-N 3.12Å; R1181-Q1183 VanDerWaalsContact O-N 3.07Å
1182	V	93.9	Very high	90.4	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	110	-177.3	-179.2	0	0	0	0	109.4	R1052 F1053 L1065 L1154 L1179 S1180 A1188 P1189 L1190	R1052-V1182 WeakPolarHBondContact O-CA 3.29Å; F1053-V1182 HydrophobicContact CB-CB 4.27Å; F1053-V1182 HydrophobicContact CB-CG2 3.74Å; L1065-V1182 HydrophobicContact CD1-CG1 4.28Å; L1154-V1182 HydrophobicContact CD1-CB 4.36Å; L1154-V1182 HydrophobicContact CD1-CG1 3.99Å; L1154-V1182 HydrophobicContact CD1-CG2 4.21Å; L1154-V1182 HydrophobicContact CD2-CG1 3.99Å; L1179-V1182 HydrophobicContact CB-CG2 4.05Å; S1180-V1182 PolarHBondContact O-N 3.39Å; S1180-V1182 VanDerWaalsContact O-N 3.1Å; V1182-A1188 WeakPolarHBondContact O-CA 3.45Å; V1182-P1189 WeakPolarHBondContact O-CD 3.18Å; V1182-L1190 HydrophobicContact CB-CD1 3.82Å; V1182-L1190 HydrophobicContact CB-CG 4.12Å; V1182-L1190 HydrophobicContact CG2-CD1 3.36Å; V1182-L1190 HydrophobicContact CG2-CG 4.07Å
1183	Q	93.9	Very high	90.7	Very high	19 Å²	19	21.3 Å²	21.3	9%	0.089	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131	179.8	-172.8	155.2	-0	0	0	110.2	A995 I1051 R1052 R1181 N1185 I1187	A995-Q1183 HydrophobicContact CB-CB 3.96Å; I1051-Q1183 WeakPolarHBondContact CA-O 3.33Å; R1052-Q1183 HydrophobicContact CB-CB 4.49Å; R1052-Q1183 PolarHBondContact N-O 2.77Å; R1052-Q1183 PolarHBondContact O-N 2.98Å; R1181-Q1183 PolarHBondContact O-N 3.12Å; R1181-Q1183 VanDerWaalsContact O-N 3.07Å; Q1183-N1185 WeakPolarHBondContact CG-O 3.32Å; Q1183-N1185 PolarHBondContact NE2-O 3.48Å; Q1183-I1187 CarbonylContact C-O 3.58Å; Q1183-I1187 VanDerWaalsContact CA-O 3.32Å; Q1183-I1187 WeakPolarHBondContact CA-O 3.48Å
1184	F	93.8	Very high	91.1	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.3	170.7	179	-99.3	0	0	0	107.8	F1019 L1046 E1049 E1050 I1051 I1067 L1152 Q1186 I1187	F1019-F1184 AromaticContact CE1-CD1 3.66Å; F1019-F1184 HydrophobicContact CE1-CD1 3.66Å; F1019-F1184 AromaticContact CE1-CE1 3.92Å; F1019-F1184 HydrophobicContact CE1-CE1 3.92Å; F1019-F1184 AromaticContact CZ-CD1 3.74Å; F1019-F1184 HydrophobicContact CZ-CD1 3.74Å; F1019-F1184 AromaticContact CZ-CE1 3.76Å; F1019-F1184 HydrophobicContact CZ-CE1 3.76Å; L1046-F1184 HydrophobicContact CD1-CE1 4.09Å; L1046-F1184 HydrophobicContact CD1-CZ 3.74Å; E1049-F1184 HydrophobicContact CB-CE2 3.72Å; E1049-F1184 HydrophobicContact CB-CZ 3.88Å; E1049-F1184 HydrophobicContact CG-CE2 3.97Å; E1049-F1184 HydrophobicContact CG-CZ 4.43Å; E1050-F1184 CarbonylContact O-C 3.53Å; E1050-F1184 WeakPolarHBondContact O-CA 3.36Å; I1051-F1184 HydrophobicContact CD1-CD2 3.75Å; I1051-F1184 HydrophobicContact CD1-CE2 3.89Å; I1051-F1184 HydrophobicContact CG1-CD2 3.72Å; I1051-F1184 HydrophobicContact CG1-CE2 4.06Å; I1067-F1184 HydrophobicContact CD1-CD2 3.34Å; I1067-F1184 HydrophobicContact CD1-CE2 3.27Å; I1067-F1184 HydrophobicContact CD1-CG 4.07Å; I1067-F1184 HydrophobicContact CD1-CZ 3.92Å; L1152-F1184 HydrophobicContact CD1-CB 3.8Å; L1152-F1184 HydrophobicContact CD1-CG 4.26Å; F1184-Q1186 PolarHBondContact O-N 2.85Å; F1184-Q1186 VanDerWaalsContact O-N 3.12Å; F1184-I1187 PolarHBondContact N-O 3.48Å; F1184-I1187 WeakPolarHBondContact O-CB 3.32Å; F1184-I1187 PolarHBondContact O-N 2.8Å
1185	N	91.1	Very high	91.2	Very high	51 Å²	51	23.3 Å²	23.3	27%	0.273	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-114.5	-168.6	-58.4	-28.8	0	0	0	110.7	E1049 E1050 Q1183	E1049-N1185 WeakPolarHBondContact CA-OD1 3.38Å; E1050-N1185 PolarHBondContact N-OD1 3.39Å; E1050-N1185 PolarHBondContact O-N 2.62Å; Q1183-N1185 WeakPolarHBondContact CG-O 3.32Å; Q1183-N1185 PolarHBondContact NE2-O 3.48Å
1186	Q	85.3	Confident	90.5	Very high	142 Å²	142	32.9 Å²	32.9	66%	0.664	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	12.5	177.7	-55.5	-62.5	11.8	0	0	113.8	F1184	F1184-Q1186 PolarHBondContact O-N 2.85Å; F1184-Q1186 VanDerWaalsContact O-N 3.12Å
1187	I	89.7	Confident	89.7	Confident	45 Å²	45	35.5 Å²	35.5	23%	0.231	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-105.4	129.1	-177.9	-58.3	172.1	0	0	0	108.6	Y1017 F1019 Q1183 F1184 P1189	Y1017-I1187 HydrophobicContact CD1-CG2 4.06Å; Y1017-I1187 HydrophobicContact CD2-CG2 4.11Å; Y1017-I1187 HydrophobicContact CE1-CD1 4.1Å; Y1017-I1187 HydrophobicContact CE1-CG2 3.64Å; Y1017-I1187 HydrophobicContact CE2-CG2 3.72Å; Y1017-I1187 HydrophobicContact CG-CG2 4.31Å; Y1017-I1187 VanDerWaalsContact CZ-CG2 3.47Å; F1019-I1187 HydrophobicContact CD1-CD1 3.55Å; F1019-I1187 HydrophobicContact CE1-CD1 3.7Å; Q1183-I1187 CarbonylContact C-O 3.58Å; Q1183-I1187 VanDerWaalsContact CA-O 3.32Å; Q1183-I1187 WeakPolarHBondContact CA-O 3.48Å; F1184-I1187 PolarHBondContact N-O 3.48Å; F1184-I1187 WeakPolarHBondContact O-CB 3.32Å; F1184-I1187 PolarHBondContact O-N 2.8Å; I1187-P1189 HydrophobicContact CG2-CG 4.13Å; I1187-P1189 WeakPolarHBondContact O-CD 3.19Å
1188	A	92.5	Very high	88.9	Confident	13 Å²	13	42.7 Å²	42.7	11%	0.107	22%	0.217	C	C	.	.			trans	-115.8	85.6	174.7	0	0	0	0	0	110.7	A995 V1182 L1190 K1191 A1192	A995-A1188 HydrophobicContact CB-CB 3.89Å; V1182-A1188 WeakPolarHBondContact O-CA 3.45Å; A1188-L1190 PolarHBondContact O-N 3.09Å; A1188-K1191 HydrophobicContact CB-CB 3.89Å; A1188-K1191 PolarHBondContact O-N 2.95Å; A1188-K1191 VanDerWaalsContact O-N 3.14Å; A1188-A1192 PolarHBondContact O-N 2.93Å
1189	P	92.2	Very high	88.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-42.1	-171.3	-27.6	36.3	0	0	0	114.7	L1015 Y1017 L1152 V1182 I1187 K1191 A1192 A1193	L1015-P1189 HydrophobicContact CD2-CB 3.98Å; Y1017-P1189 HydrophobicContact CD2-CB 4.06Å; Y1017-P1189 HydrophobicContact CD2-CG 4.33Å; Y1017-P1189 HydrophobicContact CG-CB 4.3Å; Y1017-P1189 HydrophobicContact CG-CG 4.33Å; L1152-P1189 HydrophobicContact CD1-CG 4.03Å; L1152-P1189 HydrophobicContact CD2-CB 4.2Å; L1152-P1189 HydrophobicContact CD2-CG 3.85Å; V1182-P1189 WeakPolarHBondContact O-CD 3.18Å; I1187-P1189 HydrophobicContact CG2-CG 4.13Å; I1187-P1189 WeakPolarHBondContact O-CD 3.19Å; P1189-K1191 VanDerWaalsContact C-N 3.32Å; P1189-K1191 PolarHBondContact O-N 3.26Å; P1189-A1192 PolarHBondContact O-N 2.99Å; P1189-A1193 PolarHBondContact O-N 2.73Å
1190	L	91.1	Very high	87.6	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-41	177.5	-77.5	176.6	0	0	0	111.5	A1007 F1009 L1015 L1154 L1179 V1182 A1188 A1193 L1194	A1007-L1190 HydrophobicContact CB-CD2 3.9Å; F1009-L1190 HydrophobicContact CE2-CD2 3.87Å; F1009-L1190 HydrophobicContact CZ-CD2 3.81Å; L1015-L1190 HydrophobicContact CD1-CD2 4.02Å; L1154-L1190 HydrophobicContact CD1-CD1 4.4Å; L1154-L1190 HydrophobicContact CD1-CD2 3.87Å; L1154-L1190 HydrophobicContact CD1-CG 3.73Å; L1179-L1190 HydrophobicContact CB-CD1 3.92Å; L1179-L1190 WeakPolarHBondContact O-CD1 3.41Å; V1182-L1190 HydrophobicContact CB-CD1 3.82Å; V1182-L1190 HydrophobicContact CB-CG 4.12Å; V1182-L1190 HydrophobicContact CG2-CD1 3.36Å; V1182-L1190 HydrophobicContact CG2-CG 4.07Å; A1188-L1190 PolarHBondContact O-N 3.09Å; L1190-A1193 WeakPolarHBondContact O-CB 3.4Å; L1190-A1193 PolarHBondContact O-N 3.37Å; L1190-L1194 WeakPolarHBondContact O-CB 3.39Å; L1190-L1194 VanDerWaalsContact O-CG 3.29Å; L1190-L1194 WeakPolarHBondContact O-CG 3.33Å; L1190-L1194 PolarHBondContact O-N 3.03Å
1191	K	90.7	Very high	87.3	Confident	19 Å²	19	49.1 Å²	49.1	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-43.5	176.9	-172.1	175.7	178.9	165.6	0	111.1	C991 T994 Y996 D997 V1005 A1188 P1189 A1193 L1194 R1195	C991-K1191 PolarHBondContact O-NZ 3.29Å; T994-K1191 WeakPolarHBondContact O-CD 3.26Å; Y996-K1191 PolarHBondContact O-NZ 3.09Å; D997-K1191 WeakPolarHBondContact OD1-CE 3.44Å; D997-K1191 IonicContact OD1-NZ 2.67Å; D997-K1191 PolarHBondContact OD1-NZ 2.9Å; V1005-K1191 HydrophobicContact CB-CB 4.47Å; V1005-K1191 HydrophobicContact CG1-CB 4.08Å; V1005-K1191 HydrophobicContact CG1-CG 4.43Å; V1005-K1191 HydrophobicContact CG2-CD 4.34Å; V1005-K1191 HydrophobicContact CG2-CG 4.34Å; A1188-K1191 HydrophobicContact CB-CB 3.89Å; A1188-K1191 PolarHBondContact O-N 2.95Å; A1188-K1191 VanDerWaalsContact O-N 3.14Å; P1189-K1191 VanDerWaalsContact C-N 3.32Å; P1189-K1191 PolarHBondContact O-N 3.26Å; K1191-A1193 VanDerWaalsContact C-N 3.26Å; K1191-A1193 PolarHBondContact O-N 2.81Å; K1191-L1194 PolarHBondContact O-N 2.91Å; K1191-R1195 HydrophobicContact CG-CG 3.87Å; K1191-R1195 VanDerWaalsContact O-CB 3.31Å; K1191-R1195 WeakPolarHBondContact O-CB 3.45Å; K1191-R1195 WeakPolarHBondContact O-CG 3.49Å; K1191-R1195 PolarHBondContact O-N 2.77Å
1192	A	89	Confident	87.2	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-31.2	175.4	0	0	0	0	0	113.2	Y1017 A1188 P1189 A1199 S1200 V1203	Y1017-A1192 HydrophobicContact CE2-CB 4.16Å; A1188-A1192 PolarHBondContact O-N 2.93Å; P1189-A1192 PolarHBondContact O-N 2.99Å; A1192-A1199 HydrophobicContact CB-CB 3.78Å; A1192-S1200 WeakPolarHBondContact O-CA 3.42Å; A1192-S1200 VanDerWaalsContact O-CB 3.31Å; A1192-S1200 WeakPolarHBondContact O-CB 3.42Å; A1192-S1200 PolarHBondContact O-OG 2.83Å; A1192-V1203 HydrophobicContact CB-CG2 3.78Å
1193	A	89.3	Confident	87	Confident	25 Å²	25	49.9 Å²	49.9	21%	0.207	27%	0.274	C	S	.	.	H	α-helix	trans	-70.4	-44.7	171.4	0	0	0	0	0	113.2	L1015 P1189 L1190 K1191 V1203 I1205 L1209	L1015-A1193 HydrophobicContact CD1-CB 3.47Å; L1015-A1193 VanDerWaalsContact CD1-CB 3.47Å; P1189-A1193 PolarHBondContact O-N 2.73Å; L1190-A1193 WeakPolarHBondContact O-CB 3.4Å; L1190-A1193 PolarHBondContact O-N 3.37Å; K1191-A1193 VanDerWaalsContact C-N 3.26Å; K1191-A1193 PolarHBondContact O-N 2.81Å; A1193-V1203 HydrophobicContact CB-CG1 3.9Å; A1193-I1205 HydrophobicContact CB-CD1 3.59Å; A1193-I1205 HydrophobicContact CB-CG1 4.43Å; A1193-L1209 HydrophobicContact CB-CD2 3.65Å
1194	L	88.3	Confident	86.9	Confident	37 Å²	37	53.2 Å²	53.2	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-87.1	-18.1	-170.9	-68.5	170.9	0	0	0	113.7	V1005 A1007 L1190 K1191 L1209 E1211	V1005-L1194 HydrophobicContact CG1-CD1 3.79Å; A1007-L1194 HydrophobicContact CB-CD1 4.34Å; L1190-L1194 WeakPolarHBondContact O-CB 3.39Å; L1190-L1194 VanDerWaalsContact O-CG 3.29Å; L1190-L1194 WeakPolarHBondContact O-CG 3.33Å; L1190-L1194 PolarHBondContact O-N 3.03Å; K1191-L1194 PolarHBondContact O-N 2.91Å; L1194-L1209 HydrophobicContact CD2-CD2 3.63Å; L1194-L1209 HydrophobicContact CD2-CG 3.98Å; L1194-L1209 HydrophobicContact CG-CD2 3.89Å; L1194-E1211 HydrophobicContact CD1-CB 4.31Å; L1194-E1211 HydrophobicContact CD1-CG 4.19Å; L1194-E1211 HydrophobicContact CD2-CB 4.23Å
1195	R	87.4	Confident	86.7	Confident	62 Å²	62	56.1 Å²	56.1	23%	0.234	30%	0.304	C	S	.	.	S	Bend	trans	-120.3	126.2	-179.7	-53.7	-62.5	179	-111	-0.6	109.1	D997 K1191 T1197 S1200 E1211	D997-R1195 IonicContact OD2-CZ 3.56Å; D997-R1195 IonicContact OD2-NE 3.24Å; D997-R1195 PolarHBondContact OD2-NE 2.87Å; D997-R1195 IonicContact OD2-NH2 3.65Å; D997-R1195 PolarHBondContact OD2-NH2 3.38Å; K1191-R1195 HydrophobicContact CG-CG 3.87Å; K1191-R1195 VanDerWaalsContact O-CB 3.31Å; K1191-R1195 WeakPolarHBondContact O-CB 3.45Å; K1191-R1195 WeakPolarHBondContact O-CG 3.49Å; K1191-R1195 PolarHBondContact O-N 2.77Å; R1195-T1197 HydrophobicContact CB-CG2 4.26Å; R1195-T1197 PolarHBondContact O-N 2.89Å; R1195-S1200 PolarHBondContact O-OG 3.03Å; R1195-E1211 IonicContact CZ-OE1 3.87Å; R1195-E1211 IonicContact CZ-OE2 3.12Å; R1195-E1211 IonicContact NH1-OE1 2.65Å; R1195-E1211 IonicContact NH1-OE2 2.83Å; R1195-E1211 PolarHBondContact NH1-OE2 2.94Å; R1195-E1211 IonicContact NH2-OE1 3.97Å; R1195-E1211 PolarHBondContact NH2-OE1 2.82Å; R1195-E1211 IonicContact NH2-OE2 3.1Å; R1195-E1211 PolarHBondContact NH2-OE2 2.78Å
1196	Q	77	Confident	86.6	Confident	202 Å²	202	59.3 Å²	59.3	94%	0.944	32%	0.317	S	S	*	.			trans	-67.4	101.7	176.2	-73.2	-171	-6.4	0	0	110.2
1197	T	75.4	Confident	86.7	Confident	73 Å²	73	55 Å²	55	45%	0.448	31%	0.31	S	S	.	.	S	Bend	trans	-136.7	169.7	179.1	60.3	0	0	0	0	109.5	R1195 A1199 S1200	R1195-T1197 HydrophobicContact CB-CG2 4.26Å; R1195-T1197 PolarHBondContact O-N 2.89Å; T1197-A1199 PolarHBondContact O-N 2.86Å; T1197-A1199 VanDerWaalsContact O-N 3.13Å; T1197-A1199 PolarHBondContact OG1-N 3.01Å; T1197-S1200 PolarHBondContact N-OG 3.03Å; T1197-S1200 WeakPolarHBondContact O-CB 3.23Å; T1197-S1200 PolarHBondContact O-N 2.89Å; T1197-S1200 PolarHBondContact O-OG 2.8Å; T1197-S1200 VanDerWaalsContact O-OG 3.07Å; T1197-S1200 PolarHBondContact OG1-OG 2.89Å
1198	N	75	Confident	86.4	Confident	159 Å²	159	60 Å²	60	85%	0.85	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27	173.7	-70.1	-17.7	0	0	0	112.4	S1200	N1198-S1200 VanDerWaalsContact C-N 3.28Å; N1198-S1200 PolarHBondContact O-N 3.33Å
1199	A	79.2	Confident	85.9	Confident	33 Å²	33	60.9 Å²	60.9	27%	0.273	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-69.8	-22.7	175.2	0	0	0	0	0	113	A1192 T1197 A1201 H1202	A1192-A1199 HydrophobicContact CB-CB 3.78Å; T1197-A1199 PolarHBondContact O-N 2.86Å; T1197-A1199 VanDerWaalsContact O-N 3.13Å; T1197-A1199 PolarHBondContact OG1-N 3.01Å; A1199-A1201 PolarHBondContact O-N 3.22Å; A1199-H1202 WeakPolarHBondContact O-CB 3.44Å; A1199-H1202 PolarHBondContact O-N 3.01Å
1200	S	82.1	Confident	85.5	Confident	34 Å²	34	64.5 Å²	64.5	24%	0.238	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-61.3	-27.8	179.5	-52	0	0	0	0	112.9	A1192 R1195 T1197 N1198 H1202 V1203	A1192-S1200 WeakPolarHBondContact O-CA 3.42Å; A1192-S1200 VanDerWaalsContact O-CB 3.31Å; A1192-S1200 WeakPolarHBondContact O-CB 3.42Å; A1192-S1200 PolarHBondContact O-OG 2.83Å; R1195-S1200 PolarHBondContact O-OG 3.03Å; T1197-S1200 PolarHBondContact N-OG 3.03Å; T1197-S1200 WeakPolarHBondContact O-CB 3.23Å; T1197-S1200 PolarHBondContact O-N 2.89Å; T1197-S1200 PolarHBondContact O-OG 2.8Å; T1197-S1200 VanDerWaalsContact O-OG 3.07Å; T1197-S1200 PolarHBondContact OG1-OG 2.89Å; N1198-S1200 VanDerWaalsContact C-N 3.28Å; N1198-S1200 PolarHBondContact O-N 3.33Å; S1200-H1202 PolarHBondContact O-N 2.6Å; S1200-V1203 PolarHBondContact O-N 2.83Å
1201	A	85.2	Confident	85.3	Confident	67 Å²	67	68.2 Å²	68.2	55%	0.554	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.8	175.3	0	0	0	0	0	113.6	A1199 V1203	A1199-A1201 PolarHBondContact O-N 3.22Å; A1201-V1203 VanDerWaalsContact C-N 3.34Å
1202	H	88.6	Confident	85	Confident	36 Å²	36	68.8 Å²	68.8	17%	0.167	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-88.7	-6.7	177.3	-61.3	74.7	0	0	0	112.3	Y1017 N1018 A1021 A1199 S1200	Y1017-H1202 WeakPolarHBondContact CA-O 3.21Å; Y1017-H1202 HydrophobicContact CD2-CB 4.39Å; Y1017-H1202 HydrophobicContact CE1-CB 4.18Å; Y1017-H1202 HydrophobicContact CE2-CB 3.92Å; N1018-H1202 PolarHBondContact N-O 2.94Å; N1018-H1202 WeakPolarHBondContact O-CB 3.32Å; N1018-H1202 PolarHBondContact O-CD2 3.11Å; N1018-H1202 VanDerWaalsContact O-CD2 3.24Å; A1021-H1202 WeakPolarHBondContact CA-NE2 3.49Å; A1021-H1202 WeakPolarHBondContact CB-NE2 3.07Å; A1021-H1202 PolarHBondContact N-CD2 2.75Å; A1021-H1202 PolarHBondContact N-NE2 2.88Å; A1199-H1202 WeakPolarHBondContact O-CB 3.44Å; A1199-H1202 PolarHBondContact O-N 3.01Å; S1200-H1202 PolarHBondContact O-N 2.6Å
1203	V	91.3	Very high	84.3	Confident	18 Å²	18	73.6 Å²	73.6	11%	0.109	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.4	-172.2	-168.6	0	0	0	0	111.1	L1015 R1016 Y1017 A1192 A1193 S1200 A1201 I1205	L1015-V1203 HydrophobicContact CD1-CG1 4.08Å; L1015-V1203 HydrophobicContact CD2-CG1 3.97Å; L1015-V1203 HydrophobicContact CG-CG1 3.74Å; R1016-V1203 CarbonylContact O-C 3.56Å; R1016-V1203 WeakPolarHBondContact O-CA 3.25Å; Y1017-V1203 HydrophobicContact CD2-CG2 3.61Å; Y1017-V1203 HydrophobicContact CE2-CG2 4.04Å; A1192-V1203 HydrophobicContact CB-CG2 3.78Å; A1193-V1203 HydrophobicContact CB-CG1 3.9Å; S1200-V1203 PolarHBondContact O-N 2.83Å; A1201-V1203 VanDerWaalsContact C-N 3.34Å; V1203-I1205 HydrophobicContact CG1-CD1 4.34Å; V1203-I1205 HydrophobicContact CG1-CG1 3.95Å
1204	H	91.5	Very high	83.7	Confident	88 Å²	88	75.4 Å²	75.4	41%	0.407	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.5	171.7	-62.6	-77.2	0	0	0	109.3	W1014 L1015 R1016 N1018	W1014-H1204 HydrophobicContact CH2-CB 4.24Å; W1014-H1204 HydrophobicContact CZ3-CB 4.02Å; W1014-H1204 WeakPolarHBondContact CZ3-O 3.49Å; L1015-H1204 CarbonylContact C-O 3.57Å; L1015-H1204 WeakPolarHBondContact CA-O 3.43Å; R1016-H1204 HydrophobicContact CB-CB 4.49Å; R1016-H1204 PolarHBondContact N-O 3.32Å; R1016-H1204 PolarHBondContact O-N 2.76Å; N1018-H1204 PolarHBondContact ND2-CD2 2.84Å; N1018-H1204 PolarHBondContact ND2-NE2 2.94Å
1205	I	89.9	Confident	82.7	Confident	66 Å²	66	73.7 Å²	73.7	34%	0.338	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139	-174.9	-52.9	170.2	0	0	0	108	W1014 L1015 A1193 V1203 L1209	W1014-I1205 WeakPolarHBondContact O-CA 3.41Å; L1015-I1205 HydrophobicContact CD1-CG1 4.47Å; L1015-I1205 HydrophobicContact CG-CG1 4.31Å; A1193-I1205 HydrophobicContact CB-CD1 3.59Å; A1193-I1205 HydrophobicContact CB-CG1 4.43Å; V1203-I1205 HydrophobicContact CG1-CD1 4.34Å; V1203-I1205 HydrophobicContact CG1-CG1 3.95Å; I1205-L1209 HydrophobicContact CD1-CB 4.49Å; I1205-L1209 HydrophobicContact CD1-CD2 4.07Å; I1205-L1209 HydrophobicContact CG2-CB 4.17Å
1206	Q	88.8	Confident	82	Confident	118 Å²	118	71.6 Å²	71.6	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.7	166.7	-178.5	73	21.7	0	0	109.1	M1013 W1014	M1013-Q1206 WeakPolarHBondContact CA-O 3.3Å; W1014-Q1206 HydrophobicContact CD2-CB 4Å; W1014-Q1206 HydrophobicContact CG-CB 4.18Å; W1014-Q1206 HydrophobicContact CZ2-CB 3.7Å; W1014-Q1206 PolarHBondContact N-O 2.9Å; W1014-Q1206 PolarHBondContact O-N 2.76Å
1207	G	85.9	Confident	81.3	Confident	50 Å²	50	63.5 Å²	63.5	52%	0.515	37%	0.369	S	S	.	.	S	Bend	trans	95.7	175.3	-168.7	0	0	0	0	0	111.5
1208	E	83.8	Confident	80.3	Confident	152 Å²	152	64.1 Å²	64.1	71%	0.71	38%	0.375	S	S	*	.			trans	-93.8	106.5	179.1	-172.4	174.6	176.2	0	0	109.5	M1013 V1210	M1013-E1208 VanDerWaalsContact CE-O 3.25Å; M1013-E1208 WeakPolarHBondContact CE-O 3.46Å; E1208-V1210 PolarHBondContact O-N 2.9Å
1209	L	82.7	Confident	78.8	Confident	30 Å²	30	64.4 Å²	64.4	16%	0.157	38%	0.375	C	S	.	.			trans	-77.7	112.4	-179.9	-169.2	73.3	0	0	0	110.1	A1007 F1009 L1015 A1193 L1194 I1205	A1007-L1209 HydrophobicContact CB-CD1 3.49Å; A1007-L1209 VanDerWaalsContact CB-CD1 3.49Å; A1007-L1209 HydrophobicContact CB-CD2 4.27Å; A1007-L1209 HydrophobicContact CB-CG 3.8Å; F1009-L1209 HydrophobicContact CE1-CD1 4.32Å; F1009-L1209 HydrophobicContact CE2-CD1 4.23Å; F1009-L1209 HydrophobicContact CZ-CD1 4Å; L1015-L1209 HydrophobicContact CD1-CD2 4.23Å; A1193-L1209 HydrophobicContact CB-CD2 3.65Å; L1194-L1209 HydrophobicContact CD2-CD2 3.63Å; L1194-L1209 HydrophobicContact CD2-CG 3.98Å; L1194-L1209 HydrophobicContact CG-CD2 3.89Å; I1205-L1209 HydrophobicContact CD1-CB 4.49Å; I1205-L1209 HydrophobicContact CD1-CD2 4.07Å; I1205-L1209 HydrophobicContact CG2-CB 4.17Å
1210	V	84.5	Confident	76.9	Confident	77 Å²	77	67.1 Å²	67.1	47%	0.467	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	177.7	-177.7	0	0	0	0	109.8	A1007 F1008 E1208 S1212	A1007-V1210 CarbonylContact C-O 3.55Å; A1007-V1210 VanDerWaalsContact CA-O 3.27Å; A1007-V1210 WeakPolarHBondContact CA-O 3.22Å; F1008-V1210 PolarHBondContact N-O 3.12Å; E1208-V1210 PolarHBondContact O-N 2.9Å; V1210-S1212 PolarHBondContact O-N 3.22Å
1211	E	87	Confident	74.5	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	127	174.7	-174.1	170.8	175.6	0	0	110.5	G1006 L1194 R1195	G1006-E1211 WeakPolarHBondContact O-CA 3.44Å; G1006-E1211 WeakPolarHBondContact O-CG 3.49Å; L1194-E1211 HydrophobicContact CD1-CB 4.31Å; L1194-E1211 HydrophobicContact CD1-CG 4.19Å; L1194-E1211 HydrophobicContact CD2-CB 4.23Å; R1195-E1211 IonicContact CZ-OE1 3.87Å; R1195-E1211 IonicContact CZ-OE2 3.12Å; R1195-E1211 IonicContact NH1-OE1 2.65Å; R1195-E1211 IonicContact NH1-OE2 2.83Å; R1195-E1211 PolarHBondContact NH1-OE2 2.94Å; R1195-E1211 IonicContact NH2-OE1 3.97Å; R1195-E1211 PolarHBondContact NH2-OE1 2.82Å; R1195-E1211 IonicContact NH2-OE2 3.1Å; R1195-E1211 PolarHBondContact NH2-OE2 2.78Å
1212	S	84	Confident	71.8	Confident	30 Å²	30	74.5 Å²	74.5	21%	0.21	42%	0.422	C	S	.	.			trans	-156.1	133.1	-179.4	-177.9	0	0	0	0	111.2	G1006 A1007 C1178 V1210 C1214	G1006-S1212 CarbonylContact C-O 3.58Å; G1006-S1212 VanDerWaalsContact CA-O 3.31Å; G1006-S1212 WeakPolarHBondContact CA-O 3.33Å; G1006-S1212 PolarHBondContact O-N 2.8Å; A1007-S1212 PolarHBondContact N-O 2.97Å; C1178-S1212 PolarHBondContact SG-OG 2.93Å; V1210-S1212 PolarHBondContact O-N 3.22Å; S1212-C1214 PolarHBondContact OG-N 2.93Å
1213	N	73.1	Confident	68.9	Low	108 Å²	108	78.4 Å²	78.4	58%	0.578	45%	0.451	S	S	*	.			trans	-102.3	18.6	178.4	64.9	-13.1	0	0	0	112.6	G1215 A1216	N1213-G1215 PolarHBondContact O-N 2.73Å; N1213-A1216 HydrophobicContact CB-CB 4.29Å; N1213-A1216 VanDerWaalsContact O-CB 3.23Å; N1213-A1216 WeakPolarHBondContact O-CB 3.48Å; N1213-A1216 PolarHBondContact O-N 2.89Å
1214	C	77.8	Confident	65.7	Low	64 Å²	64	86.4 Å²	86.4	43%	0.432	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.8	-179.4	89.2	0	0	0	0	114	C1178 S1212	C1178-C1214 HydrophobicContact CB-CB 4.17Å; C1178-C1214 WeakPolarHBondContact CB-SG 3.42Å; C1178-C1214 WeakPolarHBondContact SG-CB 3.31Å; C1178-C1214 CovalentContact SG-SG 2.03Å; C1178-C1214 PolarHBondContact SG-SG 3.44Å; S1212-C1214 PolarHBondContact OG-N 2.93Å
1215	G	66.5	Low	62.7	Low	0 Å²	0	87.1 Å²	87.1	0%	0	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0.6	172.9	0	0	0	0	0	114.2	S1054 P1112 S1180 N1213	S1054-G1215 WeakPolarHBondContact CB-O 3.45Å; S1054-G1215 PolarHBondContact OG-O 3.47Å; P1112-G1215 WeakPolarHBondContact CB-O 3.4Å; S1180-G1215 WeakPolarHBondContact OG-CA 3.18Å; N1213-G1215 PolarHBondContact O-N 2.73Å
1216	A	72.8	Confident	59.8	Low	19 Å²	19	89 Å²	89	16%	0.157	52%	0.524	C	S	.	.	S	Bend	trans	-73.7	133.4	171.8	0	0	0	0	0	109.2	D1004 P1112 S1180 N1213	D1004-A1216 HydrophobicContact CB-CB 4.08Å; D1004-A1216 WeakPolarHBondContact OD2-CB 3.45Å; P1112-A1216 WeakPolarHBondContact CB-O 3.47Å; P1112-A1216 WeakPolarHBondContact CG-O 3.33Å; S1180-A1216 PolarHBondContact OG-N 3.02Å; N1213-A1216 HydrophobicContact CB-CB 4.29Å; N1213-A1216 VanDerWaalsContact O-CB 3.23Å; N1213-A1216 WeakPolarHBondContact O-CB 3.48Å; N1213-A1216 PolarHBondContact O-N 2.89Å
1217	S	62.6	Low	56.9	Low	31 Å²	31	87.7 Å²	87.7	22%	0.217	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-62.7	131	170.6	-170	0	0	0	0	108.5	L1219	S1217-L1219 PolarHBondContact O-N 2.73Å
1218	P	54.5	Low	54.3	Low	87 Å²	87	92 Å²	92	57%	0.565	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.5	138.3	174.7	23.1	-31.6	0	0	0	108.7	T1220	P1218-T1220 PolarHBondContact O-N 2.86Å
1219	L	43.4	Very low	51.6	Low	164 Å²	164	90.1 Å²	90.1	86%	0.859	54%	0.544	S	S	*	.			trans	-58.1	86.2	170.9	-69.4	163.7	0	0	0	108.3	S1217 L1221	S1217-L1219 PolarHBondContact O-N 2.73Å; L1219-L1221 PolarHBondContact O-N 3.45Å
1220	T	39.7	Very low	49	Very low	90 Å²	90	93.9 Å²	93.9	55%	0.552	57%	0.57	S	S	*	*			trans	-71.1	88.4	158	54.5	0	0	0	0	104.5	P1218 S1222	P1218-T1220 PolarHBondContact O-N 2.86Å; T1220-S1222 PolarHBondContact O-N 2.9Å
1221	L	30.4	Very low	46.2	Very low	162 Å²	162	100.8 Å²	100.8	85%	0.848	59%	0.588	S	S	*	*			trans	-48.6	93.8	153.6	-86.3	139.5	0	0	0	106	L1219 P1223	L1219-L1221 PolarHBondContact O-N 3.45Å; L1221-P1223 WeakPolarHBondContact O-CD 3.34Å
1222	S	28.6	Very low	43.2	Very low	94 Å²	94	105.1 Å²	105.1	66%	0.657	61%	0.608	S	S	*	*			trans	-74.6	117.8	159.4	-61.4	0	0	0	0	103.9	T1220 M1224	T1220-S1222 PolarHBondContact O-N 2.9Å; S1222-M1224 PolarHBondContact O-N 3.49Å
1223	P	27.8	Very low	40.4	Very low	118 Å²	118	111.4 Å²	111.4	77%	0.766	64%	0.638	S	S	*	*			trans	-55.2	118.2	171.5	22.8	-29.5	0	0	0	106	L1221 S1225	L1221-P1223 WeakPolarHBondContact O-CD 3.34Å; P1223-S1225 VanDerWaalsContact C-N 3.32Å; P1223-S1225 PolarHBondContact O-N 2.88Å
1224	M	24.2	Very low	38.1	Very low	187 Å²	187	113 Å²	113	92%	0.921	65%	0.647	S	S	*	*			trans	-59.5	104.2	176.5	-154.8	171.7	176.1	0	0	106	S1222 S1226	S1222-M1224 PolarHBondContact O-N 3.49Å; M1224-S1226 PolarHBondContact O-N 2.89Å
1225	S	28.1	Very low	35.6	Very low	103 Å²	103	117.9 Å²	117.9	72%	0.72	66%	0.663	S	S	*	*			trans	-59.6	132.3	173.4	-177.2	0	0	0	0	107.8	P1223	P1223-S1225 VanDerWaalsContact C-N 3.32Å; P1223-S1225 PolarHBondContact O-N 2.88Å
1226	S	29.7	Very low	33.6	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	70%	0.701	S	S	*	*	S	Bend	trans	-50.3	151.8	158.3	44.6	0	0	0	0	110.5	M1224	M1224-S1226 PolarHBondContact O-N 2.89Å
1227	A	28.6	Very low	31.2	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	74%	0.737	S	S	*	*			trans	83.4	70	177.4	0	0	0	0	0	116.5	D1229	A1227-D1229 VanDerWaalsContact C-N 3.33Å
1228	T	29.7	Very low	29.4	Very low	140 Å²	140	135.3 Å²	135.3	86%	0.859	76%	0.758	S	S	*	*				-89.1	88.9	127	18.4	0	0	0	0	106.8
1229	D	28.1	Very low	28	Very low	113 Å²	113	135.8 Å²	135.8	60%	0.604	77%	0.769	S	S	*	*			trans	-94.8	117.1	160.3	176.4	7.5	0	0	0	107.3	A1227 W1231	A1227-D1229 VanDerWaalsContact C-N 3.33Å; D1229-W1231 PolarHBondContact OD1-N 3.49Å
1230	P	28.6	Very low	27	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	77%	0.767	S	S	*	*			trans	-123.7	81.2	156.1	31.4	-14.1	0	0	0	109.6	H1232	P1230-H1232 PolarHBondContact O-N 2.85Å
1231	W	24.5	Very low	26.4	Very low	222 Å²	222	133.4 Å²	133.4	84%	0.841	78%	0.775	S	S	*	*				-49.6	96.5	129.3	-75.5	90.1	0	0	0	108.5	D1229	D1229-W1231 PolarHBondContact OD1-N 3.49Å
1232	H	24.6	Very low	26.1	Very low	172 Å²	172	133 Å²	133	80%	0.796	77%	0.773	S	S	*	*			trans	176.3	99.4	147.7	-91.4	-14.8	0	0	0	110.2	P1230	P1230-H1232 PolarHBondContact O-N 2.85Å
1233	L	25.8	Very low	25.8	Very low	161 Å²	161	137.7 Å²	137.7	84%	0.843	78%	0.782	S	S	*	*				-165.3	108.9	110.2	-131.9	81.8	0	0	0	108.5
1234	D	22.9	Very low	25.7	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	78%	0.784	S	S	*	*			trans	-54.2	136.1	148.1	-76.1	-47.7	0	0	0	108.2
1235	H	25.4	Very low	25.8	Very low	168 Å²	168	139.8 Å²	139.8	78%	0.778	78%	0.782	S	S	*	*			trans	151.3	91.1	148.3	-77.4	-50.5	0	0	0	108.7
1236	L	24.6	Very low	25.8	Very low	152 Å²	152	142 Å²	142	80%	0.796	79%	0.786	S	S	*	*				173.5	84.9	117	-102.2	112.1	0	0	0	107.8	S1238	L1236-S1238 PolarHBondContact O-N 2.88Å
1237	D	22.3	Very low	25.6	Very low	171 Å²	171	142.9 Å²	142.9	91%	0.914	79%	0.789	S	S	*	*			trans	-53.8	108	142.7	-78.5	-42.7	0	0	0	108.3
1238	S	24.8	Very low	25.5	Very low	93 Å²	93	141.8 Å²	141.8	65%	0.65	79%	0.786	S	S	*	*			trans	177.2	87.4	150.1	34.9	0	0	0	0	111.5	L1236	L1236-S1238 PolarHBondContact O-N 2.88Å
1239	A	26.8	Very low	25.3	Very low	97 Å²	97	145 Å²	145	80%	0.802	79%	0.792	S	S	*	*			trans	177.5	86.4	132.4	0	0	0	0	0	108.3	A1241	A1239-A1241 PolarHBondContact O-N 3.02Å
1240	S	22.5	Very low	25.1	Very low	118 Å²	118	143 Å²	143	83%	0.825	80%	0.798	S	S	*	*			trans	-54.5	125.5	157	42	0	0	0	0	110
1241	A	25.9	Very low	24.9	Very low	86 Å²	86	147.4 Å²	147.4	71%	0.711	81%	0.809	S	S	*	*			trans	-135.8	84.5	155.8	0	0	0	0	0	107.2	A1239 F1243	A1239-A1241 PolarHBondContact O-N 3.02Å; A1241-F1243 PolarHBondContact O-N 3.28Å
1242	D	23.6	Very low	25	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	81%	0.808	S	S	*	*			trans	-56.1	113.4	167	-84.3	-43.2	0	0	0	109.9
1243	F	22.1	Very low	25.1	Very low	194 Å²	194	140.7 Å²	140.7	85%	0.851	81%	0.807	S	S	*	*			trans	-122.8	106.9	156.1	-88.1	-78.6	0	0	0	108.8	A1241 Y1245	A1241-F1243 PolarHBondContact O-N 3.28Å; F1243-Y1245 PolarHBondContact O-N 3.15Å
1244	P	27.4	Very low	25	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	81%	0.808	S	S	*	*			trans	-78.6	107.6	175.2	29.7	-28.6	0	0	0	108.7
1245	Y	25.2	Very low	25.3	Very low	226 Å²	226	144.8 Å²	144.8	89%	0.886	81%	0.813	S	S	*	*			trans	-119.2	108.2	167.5	-156.8	-97.1	0	0	0	109.7	F1243 P1247	F1243-Y1245 PolarHBondContact O-N 3.15Å; Y1245-P1247 WeakPolarHBondContact O-CD 3.14Å
1246	N	28.8	Very low	25.6	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	81%	0.811	S	S	*	*			trans	-66.5	122.7	-173.5	-113	-34.9	0	0	0	111.4	G1248	N1246-G1248 PolarHBondContact O-N 2.78Å
1247	P	26	Very low	26.1	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	82%	0.815	S	S	*	*			trans	-82.8	110.1	174.4	30.7	-28.5	0	0	0	109.8	Y1245	Y1245-P1247 WeakPolarHBondContact O-CD 3.14Å
1248	G	25.1	Very low	26.8	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	80%	0.802	S	S	*	*			trans	154	77	169	0	0	0	0	0	114.1	N1246	N1246-G1248 PolarHBondContact O-N 2.78Å
1249	Q	25.2	Very low	27.8	Very low	208 Å²	208	143.4 Å²	143.4	97%	0.972	81%	0.81	S	S	*	*			trans	178.6	110	144.2	-101.8	163.2	23.5	0	0	109.5
1250	G	24.8	Very low	28.8	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	80%	0.798	S	S	*	*			trans	-179.3	30.2	175.8	0	0	0	0	0	113.9	A1252	G1250-A1252 PolarHBondContact O-N 2.93Å
1251	Q	24.5	Very low	30.2	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	79%	0.786	S	S	*	*			trans	-69.3	85.6	164.3	-82.2	177	-25.9	0	0	108.3	I1253	Q1251-I1253 PolarHBondContact O-N 3.19Å; Q1251-I1253 VanDerWaalsContact O-N 3.14Å
1252	A	26.4	Very low	32	Very low	98 Å²	98	141.6 Å²	141.6	81%	0.81	78%	0.783	S	S	*	*			trans	-80.7	90.3	170.8	0	0	0	0	0	109.7	G1250	G1250-A1252 PolarHBondContact O-N 2.93Å
1253	I	26.3	Very low	34.3	Very low	155 Å²	155	139.7 Å²	139.7	80%	0.795	77%	0.772	S	S	*	*			trans	-2.8	113.6	152.1	-62	167.5	0	0	0	115.7	Q1251 N1255	Q1251-I1253 PolarHBondContact O-N 3.19Å; Q1251-I1253 VanDerWaalsContact O-N 3.14Å; I1253-N1255 PolarHBondContact O-N 3.22Å
1254	R	24.5	Very low	36.8	Very low	228 Å²	228	135.3 Å²	135.3	86%	0.86	76%	0.757	S	S	*	*			trans	-47.4	122.1	145.4	-101.7	176.8	168.7	-177	-2.4	110.1
1255	N	29.3	Very low	38.9	Very low	161 Å²	161	131.3 Å²	131.3	86%	0.861	74%	0.737	S	S	*	*			trans	145.4	119.5	140.5	-77.1	-20.7	0	0	0	111.4	I1253	I1253-N1255 PolarHBondContact O-N 3.22Å
1256	G	31	Very low	41.5	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	71%	0.713	S	S	*	*			trans	149.5	49.2	166.5	0	0	0	0	0	114.4	N1258	G1256-N1258 PolarHBondContact O-N 2.87Å
1257	V	35.8	Very low	44.1	Very low	146 Å²	146	119.3 Å²	119.3	89%	0.885	70%	0.7	S	S	*	*			trans	-67.4	94.7	165.5	-179.1	0	0	0	0	106.8	R1259	V1257-R1259 PolarHBondContact O-N 2.99Å
1258	N	37.6	Very low	46.9	Very low	121 Å²	121	117.7 Å²	117.7	65%	0.647	68%	0.684	S	S	*	*			trans	-68.2	125.4	-171	-143.9	-12.6	0	0	0	108.7	G1256 N1260 S1261	G1256-N1258 PolarHBondContact O-N 2.87Å; N1258-N1260 PolarHBondContact O-N 3.47Å; N1258-S1261 PolarHBondContact O-N 3.38Å
1259	R	44.5	Very low	49.8	Very low	218 Å²	218	117.2 Å²	117.2	82%	0.823	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-3.1	-171.1	-142.1	170.9	162.6	-167.4	-5.9	114.6	V1257	V1257-R1259 PolarHBondContact O-N 2.99Å
1260	N	48.1	Very low	52.8	Low	101 Å²	101	111.8 Å²	111.8	54%	0.54	65%	0.654	S	S	.	*	H	α-helix	trans	-81.3	-24.2	174.5	-66.1	-12.5	0	0	0	113.2	N1258 I1263 I1264	N1258-N1260 PolarHBondContact O-N 3.47Å; N1260-I1263 PolarHBondContact O-N 2.83Å; N1260-I1264 VanDerWaalsContact O-CG1 3.3Å; N1260-I1264 WeakPolarHBondContact O-CG1 3.16Å; N1260-I1264 PolarHBondContact O-N 2.9Å; N1260-I1264 VanDerWaalsContact O-N 3.14Å
1261	S	52.8	Low	56	Low	82 Å²	82	111.9 Å²	111.9	57%	0.573	64%	0.64	S	S	*	*	H	α-helix	trans	-67.6	-40.3	178	178.6	0	0	0	0	112.2	N1258 I1263 I1264 G1265	N1258-S1261 PolarHBondContact O-N 3.38Å; S1261-I1263 VanDerWaalsContact C-N 3.32Å; S1261-I1263 PolarHBondContact O-N 2.66Å; S1261-I1264 PolarHBondContact O-N 2.89Å; S1261-G1265 PolarHBondContact O-N 3.06Å
1262	A	63	Low	59.1	Low	79 Å²	79	106.8 Å²	106.8	65%	0.653	62%	0.618	S	S	*	*	H	α-helix	trans	-64.9	-34.4	178.3	0	0	0	0	0	112.8	G1266	A1262-G1266 PolarHBondContact O-N 2.62Å
1263	I	72.4	Confident	62.2	Low	112 Å²	112	108.8 Å²	108.8	57%	0.574	61%	0.609	S	S	*	*	H	α-helix	trans	-71	-44.3	176.6	-60.2	175	0	0	0	110	N1260 S1261 G1266 V1267	N1260-I1263 PolarHBondContact O-N 2.83Å; S1261-I1263 VanDerWaalsContact C-N 3.32Å; S1261-I1263 PolarHBondContact O-N 2.66Å; I1263-G1266 PolarHBondContact O-N 3.41Å; I1263-V1267 WeakPolarHBondContact O-CG2 3.39Å; I1263-V1267 PolarHBondContact O-N 3.3Å
1264	I	73.4	Confident	65.2	Low	103 Å²	103	105 Å²	105	53%	0.528	59%	0.593	S	S	.	*	H	α-helix	trans	-62.4	-45.2	176.7	-65.7	166.3	0	0	0	110.4	N1260 S1261 G1266 V1267 I1268	N1260-I1264 VanDerWaalsContact O-CG1 3.3Å; N1260-I1264 WeakPolarHBondContact O-CG1 3.16Å; N1260-I1264 PolarHBondContact O-N 2.9Å; N1260-I1264 VanDerWaalsContact O-N 3.14Å; S1261-I1264 PolarHBondContact O-N 2.89Å; I1264-G1266 VanDerWaalsContact C-N 3.34Å; I1264-G1266 PolarHBondContact O-N 3.41Å; I1264-V1267 PolarHBondContact O-N 2.99Å; I1264-I1268 HydrophobicContact CG2-CD1 3.74Å; I1264-I1268 HydrophobicContact CG2-CG1 4.43Å; I1264-I1268 VanDerWaalsContact O-CG1 3.28Å; I1264-I1268 WeakPolarHBondContact O-CG1 3.32Å; I1264-I1268 PolarHBondContact O-N 3.17Å
1265	G	72.2	Confident	68.4	Low	38 Å²	38	98.4 Å²	98.4	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-61.2	-40.2	175.7	0	0	0	0	0	112.9	S1261 I1268 A1269	S1261-G1265 PolarHBondContact O-N 3.06Å; G1265-I1268 PolarHBondContact O-N 3.14Å; G1265-A1269 WeakPolarHBondContact O-CB 3.36Å; G1265-A1269 PolarHBondContact O-N 3.49Å
1266	G	79.2	Confident	71.2	Confident	37 Å²	37	95.3 Å²	95.3	38%	0.381	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-42.9	174.7	0	0	0	0	0	113.1	A1262 I1263 I1264 A1269 V1270	A1262-G1266 PolarHBondContact O-N 2.62Å; I1263-G1266 PolarHBondContact O-N 3.41Å; I1264-G1266 VanDerWaalsContact C-N 3.34Å; I1264-G1266 PolarHBondContact O-N 3.41Å; G1266-A1269 PolarHBondContact O-N 3.26Å; G1266-V1270 WeakPolarHBondContact O-CG2 3.33Å; G1266-V1270 PolarHBondContact O-N 3.28Å
1267	V	84.9	Confident	73.9	Confident	87 Å²	87	94.8 Å²	94.8	53%	0.527	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-43.6	176.8	173.6	0	0	0	0	110.9	I1263 I1264 A1269 V1270 V1271	I1263-V1267 WeakPolarHBondContact O-CG2 3.39Å; I1263-V1267 PolarHBondContact O-N 3.3Å; I1264-V1267 PolarHBondContact O-N 2.99Å; V1267-A1269 VanDerWaalsContact C-N 3.34Å; V1267-A1269 PolarHBondContact O-N 2.92Å; V1267-V1270 PolarHBondContact O-N 2.95Å; V1267-V1271 HydrophobicContact CG1-CG2 4.44Å; V1267-V1271 VanDerWaalsContact O-CG2 3.31Å; V1267-V1271 WeakPolarHBondContact O-CG2 3.44Å; V1267-V1271 PolarHBondContact O-N 3.22Å
1268	I	84.8	Confident	76.3	Confident	91 Å²	91	91.7 Å²	91.7	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-43.6	176.6	-67.7	167.8	0	0	0	110.6	I1264 G1265 V1270 V1271 I1272	I1264-I1268 HydrophobicContact CG2-CD1 3.74Å; I1264-I1268 HydrophobicContact CG2-CG1 4.43Å; I1264-I1268 VanDerWaalsContact O-CG1 3.28Å; I1264-I1268 WeakPolarHBondContact O-CG1 3.32Å; I1264-I1268 PolarHBondContact O-N 3.17Å; G1265-I1268 PolarHBondContact O-N 3.14Å; I1268-V1270 PolarHBondContact O-N 2.85Å; I1268-V1271 PolarHBondContact O-N 3.16Å; I1268-I1272 HydrophobicContact CG2-CD1 3.7Å; I1268-I1272 HydrophobicContact CG2-CG1 4.32Å; I1268-I1272 VanDerWaalsContact O-CG1 3.32Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.37Å; I1268-I1272 PolarHBondContact O-N 3.29Å
1269	A	84.3	Confident	78.5	Confident	56 Å²	56	89.9 Å²	89.9	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177.7	0	0	0	0	0	112.4	G1265 G1266 V1267 I1272 F1273	G1265-A1269 WeakPolarHBondContact O-CB 3.36Å; G1265-A1269 PolarHBondContact O-N 3.49Å; G1266-A1269 PolarHBondContact O-N 3.26Å; V1267-A1269 VanDerWaalsContact C-N 3.34Å; V1267-A1269 PolarHBondContact O-N 2.92Å; A1269-I1272 PolarHBondContact O-N 3.1Å; A1269-F1273 VanDerWaalsContact O-CB 3.28Å; A1269-F1273 WeakPolarHBondContact O-CB 3.24Å; A1269-F1273 PolarHBondContact O-N 2.9Å
1270	V	89.7	Confident	80.3	Confident	94 Å²	94	83.4 Å²	83.4	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-66.5	-39.1	176.1	172.8	0	0	0	0	111.5	G1266 V1267 I1268 F1273 T1274	G1266-V1270 WeakPolarHBondContact O-CG2 3.33Å; G1266-V1270 PolarHBondContact O-N 3.28Å; V1267-V1270 PolarHBondContact O-N 2.95Å; I1268-V1270 PolarHBondContact O-N 2.85Å; V1270-F1273 PolarHBondContact O-N 3.24Å; V1270-T1274 HydrophobicContact CG1-CG2 4.47Å; V1270-T1274 WeakPolarHBondContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CG2 3.24Å; V1270-T1274 PolarHBondContact O-N 2.79Å; V1270-T1274 PolarHBondContact O-OG1 2.81Å
1271	V	92	Very high	81.9	Confident	73 Å²	73	86.4 Å²	86.4	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-45.1	175.6	171.9	0	0	0	0	110.9	V1267 I1268 F1273 T1274 I1275	V1267-V1271 HydrophobicContact CG1-CG2 4.44Å; V1267-V1271 VanDerWaalsContact O-CG2 3.31Å; V1267-V1271 WeakPolarHBondContact O-CG2 3.44Å; V1267-V1271 PolarHBondContact O-N 3.22Å; I1268-V1271 PolarHBondContact O-N 3.16Å; V1271-F1273 VanDerWaalsContact C-N 3.33Å; V1271-F1273 PolarHBondContact O-N 3.24Å; V1271-T1274 WeakPolarHBondContact CA-OG1 3.43Å; V1271-T1274 PolarHBondContact O-N 2.77Å; V1271-T1274 PolarHBondContact O-OG1 3.15Å; V1271-I1275 HydrophobicContact CG1-CD1 3.79Å; V1271-I1275 HydrophobicContact CG1-CG1 4.48Å; V1271-I1275 WeakPolarHBondContact O-CB 3.23Å; V1271-I1275 VanDerWaalsContact O-CG1 3.23Å; V1271-I1275 WeakPolarHBondContact O-CG1 3.34Å; V1271-I1275 PolarHBondContact O-N 2.81Å
1272	I	90	Very high	83.1	Confident	92 Å²	92	87.3 Å²	87.3	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-43	176.1	-68.7	170.1	0	0	0	110.7	I1268 A1269 I1275 L1276	I1268-I1272 HydrophobicContact CG2-CD1 3.7Å; I1268-I1272 HydrophobicContact CG2-CG1 4.32Å; I1268-I1272 VanDerWaalsContact O-CG1 3.32Å; I1268-I1272 WeakPolarHBondContact O-CG1 3.37Å; I1268-I1272 PolarHBondContact O-N 3.29Å; A1269-I1272 PolarHBondContact O-N 3.1Å; I1272-I1275 PolarHBondContact O-N 2.75Å; I1272-L1276 HydrophobicContact CG2-CD1 3.92Å; I1272-L1276 HydrophobicContact CG2-CG 4.49Å; I1272-L1276 WeakPolarHBondContact O-CB 3.44Å; I1272-L1276 WeakPolarHBondContact O-CG 3.38Å; I1272-L1276 PolarHBondContact O-N 3.19Å
1273	F	90.2	Very high	83.6	Confident	141 Å²	141	87.3 Å²	87.3	62%	0.618	49%	0.492	S	S	*	.	H	α-helix	trans	-64.9	-43	179.4	-166.1	-94.1	0	0	0	111.9	A1269 V1270 V1271 L1276 C1277	A1269-F1273 VanDerWaalsContact O-CB 3.28Å; A1269-F1273 WeakPolarHBondContact O-CB 3.24Å; A1269-F1273 PolarHBondContact O-N 2.9Å; V1270-F1273 PolarHBondContact O-N 3.24Å; V1271-F1273 VanDerWaalsContact C-N 3.33Å; V1271-F1273 PolarHBondContact O-N 3.24Å; F1273-L1276 PolarHBondContact O-N 3Å; F1273-C1277 WeakPolarHBondContact CE1-SG 3.19Å; F1273-C1277 WeakPolarHBondContact O-CB 3.38Å; F1273-C1277 PolarHBondContact O-N 2.82Å; F1273-C1277 PolarHBondContact O-SG 2.88Å
1274	T	88.7	Confident	83.5	Confident	74 Å²	74	91.3 Å²	91.3	45%	0.454	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-40.7	175.5	48.8	0	0	0	0	111.9	V1270 V1271 C1277 T1278	V1270-T1274 HydrophobicContact CG1-CG2 4.47Å; V1270-T1274 WeakPolarHBondContact O-CB 3.25Å; V1270-T1274 WeakPolarHBondContact O-CG2 3.24Å; V1270-T1274 PolarHBondContact O-N 2.79Å; V1270-T1274 PolarHBondContact O-OG1 2.81Å; V1271-T1274 WeakPolarHBondContact CA-OG1 3.43Å; V1271-T1274 PolarHBondContact O-N 2.77Å; V1271-T1274 PolarHBondContact O-OG1 3.15Å; T1274-C1277 PolarHBondContact O-N 2.97Å; T1274-T1278 WeakPolarHBondContact O-CG2 3.45Å; T1274-T1278 PolarHBondContact O-N 2.88Å; T1274-T1278 PolarHBondContact O-OG1 2.73Å
1275	I	92.1	Very high	83.3	Confident	90 Å²	90	94.3 Å²	94.3	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-50.8	172.8	-69.8	166.8	0	0	0	110.1	V1271 I1272 C1277 T1278 L1279	V1271-I1275 HydrophobicContact CG1-CD1 3.79Å; V1271-I1275 HydrophobicContact CG1-CG1 4.48Å; V1271-I1275 WeakPolarHBondContact O-CB 3.23Å; V1271-I1275 VanDerWaalsContact O-CG1 3.23Å; V1271-I1275 WeakPolarHBondContact O-CG1 3.34Å; V1271-I1275 PolarHBondContact O-N 2.81Å; I1272-I1275 PolarHBondContact O-N 2.75Å; I1275-C1277 PolarHBondContact O-N 2.7Å; I1275-T1278 WeakPolarHBondContact CA-OG1 3.45Å; I1275-T1278 PolarHBondContact O-N 3.33Å; I1275-T1278 VanDerWaalsContact O-N 3.16Å; I1275-T1278 PolarHBondContact O-OG1 2.98Å; I1275-L1279 HydrophobicContact CG2-CD1 4.41Å; I1275-L1279 WeakPolarHBondContact O-CB 3.12Å; I1275-L1279 PolarHBondContact O-N 3.11Å
1276	L	88.6	Confident	83	Confident	96 Å²	96	98 Å²	98	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-43.1	177.8	-78.4	167.8	0	0	0	112.2	I1272 F1273 T1278 L1279 V1280	I1272-L1276 HydrophobicContact CG2-CD1 3.92Å; I1272-L1276 HydrophobicContact CG2-CG 4.49Å; I1272-L1276 WeakPolarHBondContact O-CB 3.44Å; I1272-L1276 WeakPolarHBondContact O-CG 3.38Å; I1272-L1276 PolarHBondContact O-N 3.19Å; F1273-L1276 PolarHBondContact O-N 3Å; L1276-T1278 PolarHBondContact O-N 2.85Å; L1276-L1279 PolarHBondContact O-N 2.86Å; L1276-V1280 WeakPolarHBondContact O-CG2 3.44Å; L1276-V1280 PolarHBondContact O-N 2.86Å
1277	C	87.1	Confident	81.9	Confident	59 Å²	59	104 Å²	104	40%	0.399	53%	0.531	S	S	.	.	H	α-helix	trans	-61.4	-43.4	175.1	-73.4	0	0	0	0	112.1	F1273 T1274 I1275 L1279 V1280 F1281	F1273-C1277 WeakPolarHBondContact CE1-SG 3.19Å; F1273-C1277 WeakPolarHBondContact O-CB 3.38Å; F1273-C1277 PolarHBondContact O-N 2.82Å; F1273-C1277 PolarHBondContact O-SG 2.88Å; T1274-C1277 PolarHBondContact O-N 2.97Å; I1275-C1277 PolarHBondContact O-N 2.7Å; C1277-L1279 VanDerWaalsContact C-N 3.34Å; C1277-V1280 PolarHBondContact O-N 2.94Å; C1277-F1281 PolarHBondContact O-N 3.39Å
1278	T	86.2	Confident	80.3	Confident	82 Å²	82	110.4 Å²	110.4	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-65.8	-36.8	175.5	58.2	0	0	0	0	112.2	T1274 I1275 L1276 F1281 L1282	T1274-T1278 WeakPolarHBondContact O-CG2 3.45Å; T1274-T1278 PolarHBondContact O-N 2.88Å; T1274-T1278 PolarHBondContact O-OG1 2.73Å; I1275-T1278 WeakPolarHBondContact CA-OG1 3.45Å; I1275-T1278 PolarHBondContact O-N 3.33Å; I1275-T1278 VanDerWaalsContact O-N 3.16Å; I1275-T1278 PolarHBondContact O-OG1 2.98Å; L1276-T1278 PolarHBondContact O-N 2.85Å; T1278-F1281 PolarHBondContact O-N 2.94Å; T1278-L1282 WeakPolarHBondContact O-CB 3.35Å; T1278-L1282 WeakPolarHBondContact O-CG 3.31Å; T1278-L1282 PolarHBondContact O-N 2.9Å
1279	L	84	Confident	78.2	Confident	82 Å²	82	113.3 Å²	113.3	43%	0.429	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-44.8	176.9	-126.8	154.3	0	0	0	110.9	I1275 L1276 C1277 F1281 L1282 I1283	I1275-L1279 HydrophobicContact CG2-CD1 4.41Å; I1275-L1279 WeakPolarHBondContact O-CB 3.12Å; I1275-L1279 PolarHBondContact O-N 3.11Å; L1276-L1279 PolarHBondContact O-N 2.86Å; C1277-L1279 VanDerWaalsContact C-N 3.34Å; L1279-F1281 VanDerWaalsContact C-N 3.32Å; L1279-F1281 PolarHBondContact O-N 2.96Å; L1279-L1282 PolarHBondContact O-N 3.07Å; L1279-I1283 HydrophobicContact CD2-CD1 3.58Å; L1279-I1283 HydrophobicContact CD2-CG1 4.11Å; L1279-I1283 VanDerWaalsContact O-CB 3.24Å; L1279-I1283 WeakPolarHBondContact O-CB 3.38Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.22Å; L1279-I1283 PolarHBondContact O-N 2.92Å
1280	V	83.5	Confident	75.9	Confident	83 Å²	83	117.7 Å²	117.7	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-61.6	-40.2	173.5	171.6	0	0	0	0	111.2	L1276 C1277 R1284	L1276-V1280 WeakPolarHBondContact O-CG2 3.44Å; L1276-V1280 PolarHBondContact O-N 2.86Å; C1277-V1280 PolarHBondContact O-N 2.94Å; V1280-R1284 WeakPolarHBondContact O-CB 3.46Å; V1280-R1284 PolarHBondContact O-N 2.72Å
1281	F	80.9	Confident	73.3	Confident	164 Å²	164	117 Å²	117	72%	0.719	58%	0.577	S	S	*	*	H	α-helix	trans	-65.4	-44	175.8	-119.6	-84.7	0	0	0	112.3	C1277 T1278 L1279 R1284 Y1285	C1277-F1281 PolarHBondContact O-N 3.39Å; T1278-F1281 PolarHBondContact O-N 2.94Å; L1279-F1281 VanDerWaalsContact C-N 3.32Å; L1279-F1281 PolarHBondContact O-N 2.96Å; F1281-R1284 PolarHBondContact O-N 2.71Å; F1281-Y1285 VanDerWaalsContact O-CB 3.31Å; F1281-Y1285 WeakPolarHBondContact O-CB 3.41Å; F1281-Y1285 PolarHBondContact O-N 3.19Å
1282	L	78.1	Confident	70.5	Confident	101 Å²	101	118.4 Å²	118.4	53%	0.529	59%	0.586	S	S	.	*	H	α-helix	trans	-64.2	-43.4	176	-79.2	166.8	0	0	0	111.5	T1278 L1279 Y1285 M1286	T1278-L1282 WeakPolarHBondContact O-CB 3.35Å; T1278-L1282 WeakPolarHBondContact O-CG 3.31Å; T1278-L1282 PolarHBondContact O-N 2.9Å; L1279-L1282 PolarHBondContact O-N 3.07Å; L1282-Y1285 PolarHBondContact O-N 3.44Å; L1282-M1286 WeakPolarHBondContact O-CB 3.49Å; L1282-M1286 VanDerWaalsContact O-CG 3.28Å; L1282-M1286 WeakPolarHBondContact O-CG 3.35Å; L1282-M1286 PolarHBondContact O-N 2.81Å
1283	I	73.8	Confident	67.7	Low	79 Å²	79	125 Å²	125	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-59.8	-50.3	174.8	-75.8	171.6	0	0	0	109.8	L1279 Y1285 M1286 F1287	L1279-I1283 HydrophobicContact CD2-CD1 3.58Å; L1279-I1283 HydrophobicContact CD2-CG1 4.11Å; L1279-I1283 VanDerWaalsContact O-CB 3.24Å; L1279-I1283 WeakPolarHBondContact O-CB 3.38Å; L1279-I1283 WeakPolarHBondContact O-CG1 3.22Å; L1279-I1283 PolarHBondContact O-N 2.92Å; I1283-Y1285 VanDerWaalsContact C-N 3.29Å; I1283-Y1285 PolarHBondContact O-N 3.04Å; I1283-M1286 PolarHBondContact O-N 2.98Å; I1283-F1287 HydrophobicContact CG2-CD2 3.51Å; I1283-F1287 HydrophobicContact CG2-CE2 3.64Å; I1283-F1287 WeakPolarHBondContact O-CB 3.27Å; I1283-F1287 WeakPolarHBondContact O-CD2 3.49Å; I1283-F1287 PolarHBondContact O-N 2.86Å
1284	R	69.3	Low	64.9	Low	195 Å²	195	126.1 Å²	126.1	74%	0.736	61%	0.613	S	S	*	*	H	α-helix	trans	-60.3	-36.9	175.2	-98.5	-175.6	121.1	104.5	-1.5	112.9	V1280 F1281 R1288	V1280-R1284 WeakPolarHBondContact O-CB 3.46Å; V1280-R1284 PolarHBondContact O-N 2.72Å; F1281-R1284 PolarHBondContact O-N 2.71Å; R1284-R1288 PolarHBondContact O-N 2.9Å
1285	Y	70.7	Confident	62.3	Low	167 Å²	167	128.1 Å²	128.1	66%	0.655	63%	0.626	S	S	*	*	H	α-helix	trans	-70.4	-42.8	178	-171.8	-96.2	0	0	0	111.7	F1281 L1282 I1283 R1288	F1281-Y1285 VanDerWaalsContact O-CB 3.31Å; F1281-Y1285 WeakPolarHBondContact O-CB 3.41Å; F1281-Y1285 PolarHBondContact O-N 3.19Å; L1282-Y1285 PolarHBondContact O-N 3.44Å; I1283-Y1285 VanDerWaalsContact C-N 3.29Å; I1283-Y1285 PolarHBondContact O-N 3.04Å; Y1285-R1288 PolarHBondContact O-N 2.86Å
1286	M	64.6	Low	59.6	Low	116 Å²	116	130.2 Å²	130.2	57%	0.571	64%	0.638	S	S	*	*	H	α-helix	trans	-69	-40.4	177.9	-73	-176.2	64.1	0	0	112.4	L1282 I1283 R1288 H1289 K1290	L1282-M1286 WeakPolarHBondContact O-CB 3.49Å; L1282-M1286 VanDerWaalsContact O-CG 3.28Å; L1282-M1286 WeakPolarHBondContact O-CG 3.35Å; L1282-M1286 PolarHBondContact O-N 2.81Å; I1283-M1286 PolarHBondContact O-N 2.98Å; M1286-R1288 PolarHBondContact O-N 3.13Å; M1286-H1289 PolarHBondContact O-N 2.88Å; M1286-K1290 PolarHBondContact O-N 2.94Å
1287	F	57.3	Low	57	Low	163 Å²	163	133.8 Å²	133.8	72%	0.715	65%	0.652	S	S	*	*	H	α-helix	trans	-70.9	-16.3	175.8	-80.7	-66.1	0	0	0	113.3	I1283 H1289	I1283-F1287 HydrophobicContact CG2-CD2 3.51Å; I1283-F1287 HydrophobicContact CG2-CE2 3.64Å; I1283-F1287 WeakPolarHBondContact O-CB 3.27Å; I1283-F1287 WeakPolarHBondContact O-CD2 3.49Å; I1283-F1287 PolarHBondContact O-N 2.86Å; F1287-H1289 PolarHBondContact O-N 2.83Å
1288	R	49.6	Very low	54.7	Low	220 Å²	220	133.6 Å²	133.6	83%	0.83	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-13	168.5	-110.7	-177	166	169.1	-3.5	113.8	R1284 Y1285 M1286	R1284-R1288 PolarHBondContact O-N 2.9Å; Y1285-R1288 PolarHBondContact O-N 2.86Å; M1286-R1288 PolarHBondContact O-N 3.13Å
1289	H	41.8	Very low	52.5	Low	153 Å²	153	139.7 Å²	139.7	71%	0.708	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	8.1	-174.3	-92.1	-60.5	0	0	0	117	M1286 F1287	M1286-H1289 PolarHBondContact O-N 2.88Å; F1287-H1289 PolarHBondContact O-N 2.83Å
1290	K	34.9	Very low	50.6	Low	148 Å²	148	137.5 Å²	137.5	64%	0.643	67%	0.671	S	S	*	*			trans	-135	91.6	172.2	-73.4	-172.7	176.4	-179	0	111.7	M1286 T1292	M1286-K1290 PolarHBondContact O-N 2.94Å; K1290-T1292 PolarHBondContact O-N 2.62Å
1291	G	35.3	Very low	48.5	Very low	80 Å²	80	135.9 Å²	135.9	83%	0.825	67%	0.667	S	S	*	*			trans	-78.8	93.1	155.5	0	0	0	0	0	108.3
1292	T	33.8	Very low	46.9	Very low	102 Å²	102	137.7 Å²	137.7	63%	0.626	68%	0.677	S	S	*	*			trans	-131.1	105.4	167.4	46.9	0	0	0	0	107.3	K1290 H1294	K1290-T1292 PolarHBondContact O-N 2.62Å; T1292-H1294 PolarHBondContact O-N 3.27Å
1293	Y	31.6	Very low	45.6	Very low	230 Å²	230	137.8 Å²	137.8	90%	0.902	69%	0.687	S	S	*	*			trans	-64	119.6	169	-82.5	-97.3	0	0	0	108.3
1294	H	31	Very low	44.3	Very low	165 Å²	165	135.3 Å²	135.3	76%	0.764	68%	0.678	S	S	*	*			trans	-91.7	109.7	162.3	-92.8	-71.1	0	0	0	107.6	T1292 N1296	T1292-H1294 PolarHBondContact O-N 3.27Å; H1294-N1296 PolarHBondContact O-N 3.28Å
1295	T	34	Very low	43.6	Very low	116 Å²	116	135.8 Å²	135.8	71%	0.712	69%	0.688	S	S	*	*			trans	-77.9	109.7	162.7	46.5	0	0	0	0	107.1	E1297	T1295-E1297 PolarHBondContact O-N 3Å
1296	N	35	Very low	42.9	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	67%	0.666	S	S	*	*			trans	-77.7	105	169.9	-76.8	-23.4	0	0	0	107.8	H1294	H1294-N1296 PolarHBondContact O-N 3.28Å
1297	E	35.1	Very low	42.5	Very low	171 Å²	171	127.2 Å²	127.2	80%	0.799	67%	0.669	S	S	*	*			trans	-74.8	136.3	169.9	-66.9	-177.1	173.5	0	0	109.7	T1295 K1299	T1295-E1297 PolarHBondContact O-N 3Å; E1297-K1299 PolarHBondContact O-N 2.86Å
1298	A	37.8	Very low	42.5	Very low	55 Å²	55	121.4 Å²	121.4	46%	0.455	65%	0.645	S	S	.	*			trans	-70.1	124.7	-175.1	0	0	0	0	0	111.7	G1300	A1298-G1300 PolarHBondContact O-N 2.59Å
1299	K	40.9	Very low	42.9	Very low	210 Å²	210	112.2 Å²	112.2	91%	0.913	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	113.6	171.7	-74.7	-179.2	176.4	178	0	109.3	E1297	E1297-K1299 PolarHBondContact O-N 2.86Å
1300	G	43.5	Very low	43.6	Very low	36 Å²	36	105.6 Å²	105.6	37%	0.371	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	131.1	-16.9	177.8	0	0	0	0	0	114.1	A1298 E1302 S1303	A1298-G1300 PolarHBondContact O-N 2.59Å; G1300-E1302 PolarHBondContact O-N 2.79Å; G1300-S1303 PolarHBondContact O-N 2.99Å; G1300-S1303 PolarHBondContact O-OG 2.84Å
1301	A	40	Very low	44.7	Very low	50 Å²	50	102.5 Å²	102.5	41%	0.413	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-63.6	-27.7	176.8	0	0	0	0	0	113.1	S1303 A1304	A1301-S1303 VanDerWaalsContact C-N 3.26Å; A1301-S1303 PolarHBondContact O-N 2.94Å; A1301-A1304 PolarHBondContact O-N 3.3Å
1302	E	46.4	Very low	45.7	Very low	201 Å²	201	102.1 Å²	102.1	94%	0.939	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-70	-19.8	-177.3	-62.1	-173.8	-176.9	0	0	113.8	G1300	G1300-E1302 PolarHBondContact O-N 2.79Å
1303	S	51.3	Low	46.7	Very low	104 Å²	104	103.2 Å²	103.2	73%	0.727	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-95.7	-3.6	-179.3	42.1	0	0	0	0	114.8	G1300 A1301	G1300-S1303 PolarHBondContact O-N 2.99Å; G1300-S1303 PolarHBondContact O-OG 2.84Å; A1301-S1303 VanDerWaalsContact C-N 3.26Å; A1301-S1303 PolarHBondContact O-N 2.94Å
1304	A	46.6	Very low	47.5	Very low	26 Å²	26	95.2 Å²	95.2	22%	0.215	53%	0.53	C	S	.	.			trans	-94.9	131.5	-177.1	0	0	0	0	0	111.8	A1301 S1306 A1309 A1310	A1301-A1304 PolarHBondContact O-N 3.3Å; A1304-S1306 PolarHBondContact O-N 2.9Å; A1304-A1309 HydrophobicContact CB-CB 4.26Å; A1304-A1310 HydrophobicContact CB-CB 3.8Å
1305	E	54.9	Low	48.3	Very low	205 Å²	205	94.1 Å²	94.1	96%	0.958	53%	0.53	S	S	*	.	S	Bend	trans	-70	-13.6	-179.7	-66.9	-171.5	161.5	0	0	113.9
1306	S	55	Low	48.9	Very low	27 Å²	27	90.5 Å²	90.5	19%	0.189	51%	0.509	C	S	.	.	S	Bend	trans	-150.6	158.8	177.3	72.9	0	0	0	0	112.6	A1304 D1308 A1309 A1310	A1304-S1306 PolarHBondContact O-N 2.9Å; S1306-D1308 VanDerWaalsContact C-N 3.28Å; S1306-D1308 PolarHBondContact O-N 3.07Å; S1306-A1309 PolarHBondContact O-N 3.24Å; S1306-A1309 VanDerWaalsContact O-N 3.17Å; S1306-A1309 WeakPolarHBondContact OG-CB 3.31Å; S1306-A1309 PolarHBondContact OG-N 3.2Å; S1306-A1310 PolarHBondContact O-N 2.78Å
1307	A	57.7	Low	49.3	Very low	77 Å²	77	91.6 Å²	91.6	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-58.9	-38.3	176.8	0	0	0	0	0	112.5	A1310 I1311	A1307-A1310 WeakPolarHBondContact O-CB 3.37Å; A1307-A1310 PolarHBondContact O-N 3.42Å; A1307-I1311 WeakPolarHBondContact O-CG1 3.35Å; A1307-I1311 PolarHBondContact O-N 3.46Å
1308	D	57.5	Low	49.5	Very low	40 Å²	40	90.2 Å²	90.2	21%	0.214	51%	0.506	C	S	.	.	H	α-helix	trans	-66.4	-38.9	177.7	-61.4	-27.1	0	0	0	111.1	I725 K727 S1306 A1310 I1311 M1312	I725-D1308 WeakPolarHBondContact CD1-O 3.44Å; K727-D1308 IonicContact NZ-OD2 2.99Å; K727-D1308 PolarHBondContact NZ-OD2 2.82Å; S1306-D1308 VanDerWaalsContact C-N 3.28Å; S1306-D1308 PolarHBondContact O-N 3.07Å; D1308-A1310 VanDerWaalsContact C-N 3.34Å; D1308-I1311 PolarHBondContact O-N 2.76Å; D1308-M1312 PolarHBondContact O-N 2.55Å
1309	A	57	Low	49.6	Very low	27 Å²	27	91.4 Å²	91.4	22%	0.223	51%	0.508	C	S	.	.	H	α-helix	trans	-68.7	-33.1	176	0	0	0	0	0	112.3	A1304 S1306 I1311 M1312	A1304-A1309 HydrophobicContact CB-CB 4.26Å; S1306-A1309 PolarHBondContact O-N 3.24Å; S1306-A1309 VanDerWaalsContact O-N 3.17Å; S1306-A1309 WeakPolarHBondContact OG-CB 3.31Å; S1306-A1309 PolarHBondContact OG-N 3.2Å; A1309-I1311 VanDerWaalsContact C-N 3.33Å; A1309-M1312 PolarHBondContact O-N 3.15Å
1310	A	55.7	Low	49.5	Very low	15 Å²	15	89.5 Å²	89.5	12%	0.124	50%	0.503	C	S	.	.	H	α-helix	trans	-65.9	-35.5	175.9	0	0	0	0	0	112.3	A1304 S1306 A1307 D1308 M1312 N1313 N1314	A1304-A1310 HydrophobicContact CB-CB 3.8Å; S1306-A1310 PolarHBondContact O-N 2.78Å; A1307-A1310 WeakPolarHBondContact O-CB 3.37Å; A1307-A1310 PolarHBondContact O-N 3.42Å; D1308-A1310 VanDerWaalsContact C-N 3.34Å; A1310-M1312 VanDerWaalsContact C-N 3.33Å; A1310-N1313 PolarHBondContact O-N 3.35Å; A1310-N1314 PolarHBondContact O-ND2 3Å
1311	I	58.7	Low	49.1	Very low	82 Å²	82	92.2 Å²	92.2	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-36.7	177.3	-66.2	165.4	0	0	0	110.9	I725 A1307 D1308 A1309 N1313	I725-I1311 HydrophobicContact CD1-CB 4.25Å; I725-I1311 HydrophobicContact CD1-CG2 4.15Å; I725-I1311 HydrophobicContact CG1-CG2 4.36Å; A1307-I1311 WeakPolarHBondContact O-CG1 3.35Å; A1307-I1311 PolarHBondContact O-N 3.46Å; D1308-I1311 PolarHBondContact O-N 2.76Å; A1309-I1311 VanDerWaalsContact C-N 3.33Å; I1311-N1313 VanDerWaalsContact C-N 3.35Å; I1311-N1313 PolarHBondContact O-N 2.86Å
1312	M	56.6	Low	49	Very low	72 Å²	72	96.8 Å²	96.8	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-67.7	-31	179.4	-67.5	-163	-168.9	0	0	114.5	I725 I732 D1308 A1309 A1310	I725-M1312 HydrophobicContact CD1-CE 3.87Å; I725-M1312 HydrophobicContact CD1-CG 3.74Å; I732-M1312 HydrophobicContact CB-CE 4.48Å; I732-M1312 HydrophobicContact CD1-CE 3.22Å; I732-M1312 HydrophobicContact CG1-CE 3.86Å; I732-M1312 HydrophobicContact CG2-CE 4.03Å; D1308-M1312 PolarHBondContact O-N 2.55Å; A1309-M1312 PolarHBondContact O-N 3.15Å; A1310-M1312 VanDerWaalsContact C-N 3.33Å
1313	N	53.8	Low	48.4	Very low	125 Å²	125	94.1 Å²	94.1	67%	0.668	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.4	-174.5	-75.4	-12.6	0	0	0	113.8	A1310 I1311	A1310-N1313 PolarHBondContact O-N 3.35Å; I1311-N1313 VanDerWaalsContact C-N 3.35Å; I1311-N1313 PolarHBondContact O-N 2.86Å
1314	N	50	Low	47.4	Very low	62 Å²	62	97.6 Å²	97.6	33%	0.332	53%	0.525	S	S	.	.	S	Bend	trans	-94.3	143.7	-176.1	-80.1	-18.6	0	0	0	112.7	A1310	A1310-N1314 PolarHBondContact O-ND2 3Å
1315	D	46.6	Very low	46.7	Very low	143 Å²	143	101.1 Å²	101.1	77%	0.765	55%	0.548	S	S	*	.			trans	-70.7	133.1	174.6	-157	-21.6	0	0	0	110.6	N1317	D1315-N1317 PolarHBondContact O-N 3Å
1316	P	46.4	Very low	45.6	Very low	40 Å²	40	99.7 Å²	99.7	26%	0.26	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-82.1	4.7	-154.5	-14	31.7	0	0	0	117.3	Y761 F1318 T1319	Y761-P1316 HydrophobicContact CE2-CB 4.33Å; Y761-P1316 HydrophobicContact CE2-CG 3.64Å; Y761-P1316 VanDerWaalsContact OH-CB 3.25Å; Y761-P1316 WeakPolarHBondContact OH-CB 3.42Å; Y761-P1316 WeakPolarHBondContact OH-CG 3.16Å; P1316-F1318 PolarHBondContact O-N 3.14Å; P1316-T1319 PolarHBondContact O-N 2.89Å; P1316-T1319 VanDerWaalsContact O-N 3.16Å; P1316-T1319 PolarHBondContact O-OG1 2.92Å
1317	N	44.6	Very low	44.5	Very low	156 Å²	156	106.8 Å²	106.8	83%	0.834	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-60.2	-2.5	174.3	-92.2	-11.7	0	0	0	113.7	D1315	D1315-N1317 PolarHBondContact O-N 3Å
1318	F	39.4	Very low	43.3	Very low	141 Å²	141	110.8 Å²	110.8	62%	0.618	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-102.4	-23.6	175.9	-118.6	-91.5	0	0	0	115.7	P1316 T1321	P1316-F1318 PolarHBondContact O-N 3.14Å; F1318-T1321 PolarHBondContact O-N 3.13Å; F1318-T1321 PolarHBondContact O-OG1 3.04Å
1319	T	40	Very low	42.1	Very low	81 Å²	81	119.3 Å²	119.3	50%	0.497	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-81.2	-24	-173.5	35.6	0	0	0	0	114.3	P1316 T1321 I1322	P1316-T1319 PolarHBondContact O-N 2.89Å; P1316-T1319 VanDerWaalsContact O-N 3.16Å; P1316-T1319 PolarHBondContact O-OG1 2.92Å; T1319-T1321 PolarHBondContact O-N 3.43Å; T1319-I1322 PolarHBondContact O-N 3.13Å
1320	E	37	Very low	41	Very low	170 Å²	170	126.3 Å²	126.3	79%	0.794	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-65.8	-17.1	171.9	-78.6	-167.1	155.6	0	0	113.2	I1322	E1320-I1322 PolarHBondContact O-N 2.53Å
1321	T	37	Very low	40.1	Very low	93 Å²	93	136.7 Å²	136.7	57%	0.571	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-75.2	-7.4	-179.8	62	0	0	0	0	114.8	F1318 T1319	F1318-T1321 PolarHBondContact O-N 3.13Å; F1318-T1321 PolarHBondContact O-OG1 3.04Å; T1319-T1321 PolarHBondContact O-N 3.43Å
1322	I	37.6	Very low	39.2	Very low	145 Å²	145	139.4 Å²	139.4	74%	0.744	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-87	-21.6	-179.1	-60	179.2	0	0	0	112.2	T1319 E1320	T1319-I1322 PolarHBondContact O-N 3.13Å; E1320-I1322 PolarHBondContact O-N 2.53Å
1323	D	33.9	Very low	38.3	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	72%	0.716	S	S	*	*	S	Bend	trans	-98.2	-1.7	-175.3	-130.4	-1.9	0	0	0	114.9	S1325	D1323-S1325 PolarHBondContact O-N 3.38Å
1324	E	30.3	Very low	37.4	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	72%	0.718	S	S	*	*			trans	-76.1	70.1	163.3	-74.9	-159.3	153.6	0	0	110.6	K1326	E1324-K1326 PolarHBondContact O-N 3.23Å
1325	S	32	Very low	36.7	Very low	100 Å²	100	148.8 Å²	148.8	70%	0.699	74%	0.741	S	S	*	*			trans	-57.8	100.7	163.3	52.2	0	0	0	0	109.6	D1323 K1327	D1323-S1325 PolarHBondContact O-N 3.38Å; S1325-K1327 PolarHBondContact O-N 3.19Å
1326	K	31.1	Very low	36.1	Very low	176 Å²	176	149.1 Å²	149.1	77%	0.765	74%	0.739	S	S	*	*			trans	7.2	84.7	158.1	-66.9	-179.9	177.2	-179.5	0	114.6	E1324 E1328	E1324-K1326 PolarHBondContact O-N 3.23Å; K1326-E1328 HydrophobicContact CB-CG 4.32Å; K1326-E1328 PolarHBondContact O-N 3.04Å
1327	K	32	Very low	35.4	Very low	176 Å²	176	156.4 Å²	156.4	77%	0.765	77%	0.771	S	S	*	*			trans	-72.7	91	153	-78.1	180	-179.4	168.9	0	106.9	S1325 W1329	S1325-K1327 PolarHBondContact O-N 3.19Å; K1327-W1329 PolarHBondContact O-N 3.32Å
1328	E	32	Very low	34.7	Very low	160 Å²	160	156.4 Å²	156.4	75%	0.748	77%	0.767	S	S	*	*			trans	-65.6	100.8	169.2	-63.6	-170.7	177	0	0	108	K1326 L1330	K1326-E1328 HydrophobicContact CB-CG 4.32Å; K1326-E1328 PolarHBondContact O-N 3.04Å; E1328-L1330 PolarHBondContact O-N 2.92Å
1329	W	32.6	Very low	34.4	Very low	220 Å²	220	157.6 Å²	157.6	83%	0.833	78%	0.778	S	S	*	*			trans	-75.8	104.2	166.2	-59.7	85.1	0	0	0	107	K1327 I1331	K1327-W1329 PolarHBondContact O-N 3.32Å; W1329-I1331 PolarHBondContact O-N 2.68Å; W1329-I1331 VanDerWaalsContact O-N 3.17Å
1330	L	33.1	Very low	33.9	Very low	174 Å²	174	164 Å²	164	91%	0.911	80%	0.802	S	S	*	*			trans	-63.3	109.8	159.1	-84	144.9	0	0	0	107	E1328	E1328-L1330 PolarHBondContact O-N 2.92Å
1331	I	38.2	Very low	33.6	Very low	232 Å²	232	163.5 Å²	163.5	100%	1.19	80%	0.803	S	S	*	*			trans	-70.1	0	169.4	-65.2	174.2	0	0	0	109.4	W1329	W1329-I1331 PolarHBondContact O-N 2.68Å; W1329-I1331 VanDerWaalsContact O-N 3.17Å

Retrieved 1,331 of 1,331 residues in 423.2 ms (Link to these results)

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